A0A087YD60_POEFO Loading...

Transferrin receptor protein 1

AlphaFold DB , UniProt , Accession A0A087YD60, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 763 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	28.3	Very low	252 Å²	252	134.6 Å²	134.6	100%	1.241	76%	0.759	S	S	*	*				0	120.9	0	-66	169	161.3	0	0	107
2	G	29.8	Very low	28.1	Very low	64 Å²	64	134.3 Å²	134.3	66%	0.66	75%	0.754	S	S	*	*			cis	-177.2	111	-11.8	0	0	0	0	0	106.4
3	T	28.6	Very low	28	Very low	124 Å²	124	135.3 Å²	135.3	76%	0.761	76%	0.757	S	S	*	*				57	117.1	91	-31.8	0	0	0	0	110.9
4	L	28.6	Very low	27.9	Very low	146 Å²	146	138.5 Å²	138.5	76%	0.764	76%	0.763	S	S	*	*				-145.2	143.4	61.2	-102.7	84	0	0	0	111.6
5	M	30.8	Very low	27.7	Very low	151 Å²	151	134.9 Å²	134.9	74%	0.744	76%	0.759	S	S	*	*				71.7	151.9	83.5	-69.3	-174.1	158.6	0	0	115.5
6	A	30.2	Very low	27.5	Very low	82 Å²	82	132.8 Å²	132.8	68%	0.678	76%	0.763	S	S	*	*			cis	-147.4	142.4	7.8	0	0	0	0	0	110.9
7	H	27.2	Very low	27.4	Very low	153 Å²	153	129.9 Å²	129.9	71%	0.708	76%	0.759	S	S	*	*				67.4	127.9	93.7	-90.1	-55.3	0	0	0	118.9
8	L	25.8	Very low	27.4	Very low	163 Å²	163	132.3 Å²	132.3	85%	0.853	76%	0.762	S	S	*	*			trans	176.2	95.6	137.2	-91.9	167.9	0	0	0	105.8
9	T	26.3	Very low	27.2	Very low	79 Å²	79	135.8 Å²	135.8	49%	0.485	76%	0.761	S	S	.	*				78.4	114.7	60.3	65.7	0	0	0	0	116.3
10	Q	26.4	Very low	27.2	Very low	178 Å²	178	135.4 Å²	135.4	83%	0.832	75%	0.753	S	S	*	*			trans	64.1	155.3	146.2	-75.2	165.1	-70.3	0	0	118.6
11	S	25.1	Very low	27.1	Very low	89 Å²	89	136.4 Å²	136.4	62%	0.622	75%	0.752	S	S	*	*			cis	-156.4	154.6	-2.8	40.7	0	0	0	0	110.8
12	D	25.6	Very low	26.7	Very low	130 Å²	130	131.6 Å²	131.6	70%	0.695	73%	0.73	S	S	*	*				25.3	145.6	114.6	-18.7	-45.4	0	0	0	118.4
13	D	27.4	Very low	26.3	Very low	148 Å²	148	133.2 Å²	133.2	79%	0.791	73%	0.731	S	S	*	*			cis	-166.9	-169.7	8.5	-144.6	-32.4	0	0	0	112.7
14	E	27	Very low	26.1	Very low	180 Å²	180	135.7 Å²	135.7	84%	0.841	74%	0.739	S	S	*	*			trans	73.4	144.9	155.2	-78.8	178.7	179.7	0	0	119.6
15	A	24.3	Very low	26	Very low	85 Å²	85	137 Å²	137	70%	0.702	74%	0.742	S	S	*	*			cis	-152.9	144	-6	0	0	0	0	0	110.2
16	A	24.8	Very low	25.8	Very low	100 Å²	100	138.6 Å²	138.6	83%	0.826	75%	0.747	S	S	*	*				60.1	140.2	98	0	0	0	0	0	117.2
17	A	26.1	Very low	25.5	Very low	84 Å²	84	139.9 Å²	139.9	69%	0.694	76%	0.757	S	S	*	*			cis	-169.4	-175.9	-10.1	0	0	0	0	0	111.3
18	Q	26	Very low	25.5	Very low	174 Å²	174	136 Å²	136	81%	0.813	76%	0.759	S	S	*	*			trans	75.3	126.3	165.2	-71.1	169.9	-35.7	0	0	116.7
19	R	24.3	Very low	26.1	Very low	199 Å²	199	134.3 Å²	134.3	75%	0.751	76%	0.758	S	S	*	*				70.3	141.2	70.2	-71.4	-179.1	156.6	-129	6.1	112.6
20	E	27.2	Very low	26.3	Very low	127 Å²	127	137.8 Å²	137.8	59%	0.593	78%	0.779	S	S	*	*			cis	-156.6	172	1.8	-133.1	115.2	-136.5	0	0	105.7
21	E	25.4	Very low	26.6	Very low	157 Å²	157	132.4 Å²	132.4	73%	0.734	77%	0.771	S	S	*	*			cis	-162.9	-164.6	4.9	-153.7	-174.6	-106.3	0	0	108.6
22	L	23.5	Very low	27.4	Very low	151 Å²	151	133.7 Å²	133.7	79%	0.791	77%	0.771	S	S	*	*			trans	68.3	143.2	165.4	-60.1	151.6	0	0	0	119.2
23	S	22.6	Very low	28.1	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	77%	0.766	S	S	*	*			cis	-172.9	139.4	-18.9	53.5	0	0	0	0	110.6
24	L	24.3	Very low	28.8	Very low	177 Å²	177	130.3 Å²	130.3	93%	0.927	76%	0.76	S	S	*	*			trans	-169	119.4	151.6	-111.6	164.2	0	0	0	112.4
25	E	25.7	Very low	29.4	Very low	174 Å²	174	123.1 Å²	123.1	81%	0.813	73%	0.734	S	S	*	*			trans	-84.7	169.2	162.5	-57.1	164.9	129.1	0	0	108.4
26	E	26.3	Very low	30	Very low	183 Å²	183	128.2 Å²	128.2	86%	0.855	74%	0.735	S	S	*	*			cis	-156.7	133.9	-2.8	-143.4	-173.1	175.1	0	0	107.9
27	A	25.1	Very low	30.5	Very low	109 Å²	109	129.9 Å²	129.9	90%	0.901	73%	0.728	S	S	*	*			trans	-179.6	138.2	158.3	0	0	0	0	0	111.9
28	G	26.5	Very low	31.1	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	73%	0.728	S	S	*	*			trans	-145.5	-158.7	165.4	0	0	0	0	0	110.4
29	P	37.6	Very low	31.8	Very low	127 Å²	127	134.9 Å²	134.9	83%	0.825	73%	0.731	S	S	*	*			cis	-134.2	138.6	-21.6	35.9	-19.9	0	0	0	113
30	V	30.2	Very low	32.5	Very low	152 Å²	152	135 Å²	135	92%	0.921	73%	0.731	S	S	*	*			trans	-133.5	103.1	173.6	-173.9	0	0	0	0	113.5
31	G	33.2	Very low	33.3	Very low	65 Å²	65	135.4 Å²	135.4	67%	0.67	74%	0.737	S	S	*	*			trans	7.1	109.4	161.2	0	0	0	0	0	122.1	V33	G31-V33 PolarHBondContact O-N 3.31Å
32	D	42.7	Very low	34.3	Very low	116 Å²	116	137 Å²	137	62%	0.62	74%	0.743	S	S	*	*			trans	-72.1	102.3	152.8	174.8	22.7	0	0	0	110.7	T34 G35	D32-T34 PolarHBondContact OD1-N 3.2Å; D32-G35 PolarHBondContact OD1-N 3.47Å
33	V	40.6	Very low	35.5	Very low	97 Å²	97	133.2 Å²	133.2	59%	0.588	74%	0.742	S	S	*	*			trans	-98.5	-28.5	174.1	-178.9	0	0	0	0	111.5	G31 W36	G31-V33 PolarHBondContact O-N 3.31Å; V33-W36 PolarHBondContact O-N 3.2Å
34	T	40.6	Very low	37.1	Very low	110 Å²	110	133.6 Å²	133.6	68%	0.675	74%	0.736	S	S	*	*	H	α-helix	trans	-71.6	-39.7	-175.5	15.8	0	0	0	0	112.7	D32 W36	D32-T34 PolarHBondContact OD1-N 3.2Å; T34-W36 PolarHBondContact O-N 3.22Å
35	G	40.7	Very low	38.5	Very low	29 Å²	29	136.4 Å²	136.4	30%	0.299	73%	0.734	S	S	.	*	H	α-helix	trans	-63.1	-29.4	176.7	0	0	0	0	0	113.5	D32	D32-G35 PolarHBondContact OD1-N 3.47Å
36	W	36.1	Very low	39.6	Very low	192 Å²	192	138.1 Å²	138.1	73%	0.727	73%	0.733	S	S	*	*	H	α-helix	trans	-79.3	-37.9	-177.8	-131	84.8	0	0	0	113.4	V33 T34	V33-W36 PolarHBondContact O-N 3.2Å; T34-W36 PolarHBondContact O-N 3.22Å
37	M	35.4	Very low	40.8	Very low	136 Å²	136	130.6 Å²	130.6	67%	0.67	70%	0.704	S	S	*	*	H	α-helix	trans	-68.9	-40.5	179.7	-69.8	-154.6	177.6	0	0	112.8	R39 R40	M37-R39 VanDerWaalsContact C-N 3.26Å; M37-R39 PolarHBondContact O-N 3.39Å; M37-R40 PolarHBondContact O-N 3.13Å
38	L	39.6	Very low	42.3	Very low	134 Å²	134	129.1 Å²	129.1	70%	0.702	69%	0.687	S	S	*	*	H	α-helix	trans	-62.6	-28.4	-175.4	-86.4	161.2	0	0	0	113.8	R40	L38-R40 PolarHBondContact O-N 3.31Å
39	R	40.2	Very low	44	Very low	228 Å²	228	130.4 Å²	130.4	86%	0.86	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-13.3	-180	-65.9	-169.7	-176.2	-155	1.5	114.5	M37	M37-R39 VanDerWaalsContact C-N 3.26Å; M37-R39 PolarHBondContact O-N 3.39Å
40	R	39.2	Very low	45	Very low	202 Å²	202	130 Å²	130	76%	0.762	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-8.2	-172.6	-141.7	175	-170.8	-176	3.6	115.5	M37 L38	M37-R40 PolarHBondContact O-N 3.13Å; L38-R40 PolarHBondContact O-N 3.31Å
41	L	44.6	Very low	46.9	Very low	135 Å²	135	128.9 Å²	128.9	71%	0.707	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-5.5	-172.2	-86.5	164.8	0	0	0	116.2	G43	L41-G43 VanDerWaalsContact C-N 3.27Å; L41-G43 PolarHBondContact O-N 3.29Å
42	H	46	Very low	48.6	Very low	190 Å²	190	128.1 Å²	128.1	88%	0.88	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	5.1	-179	-95.3	85.8	0	0	0	115.4
43	G	48.2	Very low	50.1	Low	73 Å²	73	126.9 Å²	126.9	75%	0.753	65%	0.646	S	S	*	*	S	Bend	trans	-91.6	-33.8	-168	0	0	0	0	0	118	L41	L41-G43 VanDerWaalsContact C-N 3.27Å; L41-G43 PolarHBondContact O-N 3.29Å
44	N	57.3	Low	51.5	Low	104 Å²	104	126 Å²	126	56%	0.556	64%	0.644	S	S	*	*			trans	-150.1	77.8	-166.3	-165.5	-11.5	0	0	0	115.4	R46 G47	N44-R46 PolarHBondContact O-N 2.8Å; N44-R46 VanDerWaalsContact O-N 3.13Å; N44-R46 PolarHBondContact OD1-N 3.31Å; N44-G47 PolarHBondContact O-N 3.33Å; N44-G47 PolarHBondContact OD1-N 3.49Å
45	R	52.8	Low	53.2	Low	237 Å²	237	122.8 Å²	122.8	89%	0.894	63%	0.632	S	S	*	*	H	α-helix	trans	-58.4	-22.1	176.6	-114.8	179.1	176.2	177.7	-1.7	114.9
46	R	48.8	Very low	55.1	Low	210 Å²	210	123.1 Å²	123.1	79%	0.792	64%	0.636	S	S	*	*	H	α-helix	trans	-81.1	-34	-179.3	-69.5	-176.8	177.2	175.5	-0.4	112.6	N44 L50	N44-R46 PolarHBondContact O-N 2.8Å; N44-R46 VanDerWaalsContact O-N 3.13Å; N44-R46 PolarHBondContact OD1-N 3.31Å; R46-L50 PolarHBondContact O-N 3.26Å
47	G	51.6	Low	57.2	Low	24 Å²	24	118.4 Å²	118.4	25%	0.247	63%	0.628	C	S	.	*	H	α-helix	trans	-63.5	-45.4	177.6	0	0	0	0	0	113.2	N44 V49 L50 I51	N44-G47 PolarHBondContact O-N 3.33Å; N44-G47 PolarHBondContact OD1-N 3.49Å; G47-V49 VanDerWaalsContact C-N 3.31Å; G47-V49 PolarHBondContact O-N 2.94Å; G47-L50 PolarHBondContact O-N 3.26Å; G47-I51 WeakPolarHBondContact O-CG1 3.43Å; G47-I51 PolarHBondContact O-N 2.99Å
48	C	55.6	Low	59.3	Low	79 Å²	79	114.9 Å²	114.9	53%	0.534	62%	0.621	S	S	.	*	H	α-helix	trans	-61.8	-36.2	-179.1	-58.2	0	0	0	0	113.2	G52	C48-G52 PolarHBondContact O-N 3.03Å
49	V	64.1	Low	61.2	Low	98 Å²	98	115.7 Å²	115.7	59%	0.594	62%	0.619	S	S	*	*	H	α-helix	trans	-67.5	-44.2	177.5	176.8	0	0	0	0	111	G47 G52 V53	G47-V49 VanDerWaalsContact C-N 3.31Å; G47-V49 PolarHBondContact O-N 2.94Å; V49-G52 PolarHBondContact O-N 3.39Å; V49-V53 WeakPolarHBondContact O-CG2 3.46Å; V49-V53 PolarHBondContact O-N 3.33Å
50	L	57.8	Low	62.9	Low	118 Å²	118	108.5 Å²	108.5	62%	0.618	60%	0.6	S	S	*	*	H	α-helix	trans	-61.7	-43.1	175.6	-98.4	137.4	0	0	0	112.3	R46 G47 V53 C54	R46-L50 PolarHBondContact O-N 3.26Å; G47-L50 PolarHBondContact O-N 3.26Å; L50-V53 PolarHBondContact O-N 2.95Å; L50-C54 WeakPolarHBondContact O-CB 3.37Å; L50-C54 PolarHBondContact O-N 3.31Å; L50-C54 PolarHBondContact O-SG 3.34Å; L50-C54 VanDerWaalsContact O-SG 3.33Å
51	I	69.8	Low	64.8	Low	129 Å²	129	101.2 Å²	101.2	66%	0.662	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-42.7	176.6	-66.6	166.2	0	0	0	110.9	G47 C54 G55	G47-I51 WeakPolarHBondContact O-CG1 3.43Å; G47-I51 PolarHBondContact O-N 2.99Å; I51-C54 PolarHBondContact O-N 3.37Å; I51-G55 PolarHBondContact O-N 3.11Å
52	G	69.6	Low	66.4	Low	49 Å²	49	97.7 Å²	97.7	51%	0.505	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-43.7	176	0	0	0	0	0	113.4	C48 V49 G55 G56	C48-G52 PolarHBondContact O-N 3.03Å; V49-G52 PolarHBondContact O-N 3.39Å; G52-G55 PolarHBondContact O-N 3.28Å; G52-G56 PolarHBondContact O-N 3.42Å
53	V	74.3	Confident	67.9	Low	91 Å²	91	94.4 Å²	94.4	55%	0.552	56%	0.557	S	S	*	*	H	α-helix	trans	-65.2	-46.7	177	171.3	0	0	0	0	111.2	V49 L50 G55 G56 V57	V49-V53 WeakPolarHBondContact O-CG2 3.46Å; V49-V53 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 2.95Å; V53-G55 VanDerWaalsContact C-N 3.33Å; V53-G55 PolarHBondContact O-N 3.43Å; V53-G56 PolarHBondContact O-N 2.9Å; V53-V57 WeakPolarHBondContact O-CG2 3.41Å; V53-V57 PolarHBondContact O-N 3.48Å
54	C	68.8	Low	69.3	Low	79 Å²	79	96.3 Å²	96.3	53%	0.534	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.8	-69.9	0	0	0	0	112.2	L50 I51 V57 A58	L50-C54 WeakPolarHBondContact O-CB 3.37Å; L50-C54 PolarHBondContact O-N 3.31Å; L50-C54 PolarHBondContact O-SG 3.34Å; L50-C54 VanDerWaalsContact O-SG 3.33Å; I51-C54 PolarHBondContact O-N 3.37Å; C54-V57 PolarHBondContact O-N 3.28Å; C54-A58 WeakPolarHBondContact O-CB 3.45Å; C54-A58 PolarHBondContact O-N 3Å
55	G	77.8	Confident	70.1	Confident	41 Å²	41	97 Å²	97	42%	0.423	55%	0.552	S	S	.	*	H	α-helix	trans	-62.8	-43.8	174.7	0	0	0	0	0	112.9	I51 G52 V53 A58 F59	I51-G55 PolarHBondContact O-N 3.11Å; G52-G55 PolarHBondContact O-N 3.28Å; V53-G55 VanDerWaalsContact C-N 3.33Å; V53-G55 PolarHBondContact O-N 3.43Å; G55-A58 PolarHBondContact O-N 3.01Å; G55-F59 WeakPolarHBondContact O-CB 3.38Å; G55-F59 PolarHBondContact O-N 3.44Å
56	G	79.7	Confident	70.9	Confident	37 Å²	37	88 Å²	88	38%	0.381	53%	0.529	S	S	.	.	H	α-helix	trans	-61.8	-46.4	175.4	0	0	0	0	0	112.8	G52 V53 F59 T60	G52-G56 PolarHBondContact O-N 3.42Å; V53-G56 PolarHBondContact O-N 2.9Å; G56-F59 PolarHBondContact O-N 2.92Å; G56-T60 WeakPolarHBondContact O-CG2 3.41Å; G56-T60 PolarHBondContact O-N 3.49Å; G56-T60 PolarHBondContact O-OG1 2.98Å
57	V	80.9	Confident	71.7	Confident	92 Å²	92	82.1 Å²	82.1	56%	0.558	51%	0.513	S	S	*	.	H	α-helix	trans	-61.3	-46.8	176.3	173.8	0	0	0	0	111	V53 C54 F59 T60 A61	V53-V57 WeakPolarHBondContact O-CG2 3.41Å; V53-V57 PolarHBondContact O-N 3.48Å; C54-V57 PolarHBondContact O-N 3.28Å; V57-F59 VanDerWaalsContact C-N 3.35Å; V57-F59 PolarHBondContact O-N 2.97Å; V57-T60 PolarHBondContact O-N 2.92Å; V57-T60 PolarHBondContact O-OG1 2.9Å; V57-A61 WeakPolarHBondContact O-CB 3.39Å; V57-A61 PolarHBondContact O-N 3.42Å
58	A	77.9	Confident	72.3	Confident	63 Å²	63	83.6 Å²	83.6	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-42.1	177.4	0	0	0	0	0	112.7	C54 G55 A61 A62	C54-A58 WeakPolarHBondContact O-CB 3.45Å; C54-A58 PolarHBondContact O-N 3Å; G55-A58 PolarHBondContact O-N 3.01Å; A58-A61 PolarHBondContact O-N 2.88Å; A58-A62 WeakPolarHBondContact O-CB 3.44Å; A58-A62 PolarHBondContact O-N 2.74Å
59	F	81.2	Confident	72.9	Confident	151 Å²	151	84 Å²	84	66%	0.662	52%	0.522	S	S	*	.	H	α-helix	trans	-64.3	-46.1	177.1	-173.8	-96.3	0	0	0	112.1	G55 G56 V57 A61 A62 F63	G55-F59 WeakPolarHBondContact O-CB 3.38Å; G55-F59 PolarHBondContact O-N 3.44Å; G56-F59 PolarHBondContact O-N 2.92Å; V57-F59 VanDerWaalsContact C-N 3.35Å; V57-F59 PolarHBondContact O-N 2.97Å; F59-A61 PolarHBondContact O-N 3.14Å; F59-A62 PolarHBondContact O-N 3.29Å; F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 3.43Å
60	T	75.7	Confident	72.4	Confident	77 Å²	77	85.4 Å²	85.4	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-63.9	-39.4	177.3	57.5	0	0	0	0	112.8	G56 V57 F63 L64	G56-T60 WeakPolarHBondContact O-CG2 3.41Å; G56-T60 PolarHBondContact O-N 3.49Å; G56-T60 PolarHBondContact O-OG1 2.98Å; V57-T60 PolarHBondContact O-N 2.92Å; V57-T60 PolarHBondContact O-OG1 2.9Å; T60-F63 PolarHBondContact O-N 3.4Å; T60-L64 WeakPolarHBondContact O-CB 3.48Å; T60-L64 WeakPolarHBondContact O-CG 3.28Å; T60-L64 PolarHBondContact O-N 2.77Å
61	A	78.2	Confident	72	Confident	49 Å²	49	84.1 Å²	84.1	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-64	-43.6	175.3	0	0	0	0	0	112.1	V57 A58 F59 L64 L65	V57-A61 WeakPolarHBondContact O-CB 3.39Å; V57-A61 PolarHBondContact O-N 3.42Å; A58-A61 PolarHBondContact O-N 2.88Å; F59-A61 PolarHBondContact O-N 3.14Å; A61-L64 PolarHBondContact O-N 2.78Å; A61-L65 WeakPolarHBondContact O-CB 3.44Å; A61-L65 PolarHBondContact O-N 3.24Å
62	A	78.1	Confident	70.6	Confident	60 Å²	60	80.9 Å²	80.9	50%	0.496	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-40.9	176	0	0	0	0	0	112.4	A58 F59 L65 A66	A58-A62 WeakPolarHBondContact O-CB 3.44Å; A58-A62 PolarHBondContact O-N 2.74Å; F59-A62 PolarHBondContact O-N 3.29Å; A62-L65 PolarHBondContact O-N 3.46Å; A62-A66 WeakPolarHBondContact O-CB 3.33Å; A62-A66 PolarHBondContact O-N 3.15Å
63	F	78.4	Confident	69.4	Low	121 Å²	121	88.6 Å²	88.6	53%	0.531	54%	0.539	S	S	.	.	H	α-helix	trans	-64.8	-42.5	177.6	-174.7	-105.5	0	0	0	112.4	F59 T60 A66 L67	F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 3.43Å; T60-F63 PolarHBondContact O-N 3.4Å; F63-A66 PolarHBondContact O-N 3.46Å; F63-L67 HydrophobicContact CD1-CD1 3.88Å; F63-L67 HydrophobicContact CE1-CD1 3.47Å; F63-L67 VanDerWaalsContact CE1-CD1 3.47Å; F63-L67 HydrophobicContact CZ-CD1 3.94Å; F63-L67 PolarHBondContact O-N 2.82Å
64	L	76	Confident	67.7	Low	113 Å²	113	87.4 Å²	87.4	59%	0.592	55%	0.545	S	S	*	.	H	α-helix	trans	-67.6	-37	175.7	-69.9	171.1	0	0	0	112.4	T60 A61 L67 A68	T60-L64 WeakPolarHBondContact O-CB 3.48Å; T60-L64 WeakPolarHBondContact O-CG 3.28Å; T60-L64 PolarHBondContact O-N 2.77Å; A61-L64 PolarHBondContact O-N 2.78Å; L64-L67 PolarHBondContact O-N 3.46Å; L64-A68 WeakPolarHBondContact O-CB 3.31Å; L64-A68 PolarHBondContact O-N 2.91Å
65	L	75.3	Confident	66.1	Low	118 Å²	118	91.4 Å²	91.4	62%	0.618	56%	0.56	S	S	*	*	H	α-helix	trans	-63.9	-42.1	171.8	-87.4	163.1	0	0	0	112.3	A61 A62 A68 V69	A61-L65 WeakPolarHBondContact O-CB 3.44Å; A61-L65 PolarHBondContact O-N 3.24Å; A62-L65 PolarHBondContact O-N 3.46Å; L65-A68 PolarHBondContact O-N 3.29Å; L65-V69 WeakPolarHBondContact O-CG2 3.09Å; L65-V69 PolarHBondContact O-N 3.28Å
66	A	69.4	Low	64	Low	50 Å²	50	95.7 Å²	95.7	41%	0.413	58%	0.582	S	S	.	*	H	α-helix	trans	-62.5	-43.6	176	0	0	0	0	0	111.9	A62 F63 V69 L70	A62-A66 WeakPolarHBondContact O-CB 3.33Å; A62-A66 PolarHBondContact O-N 3.15Å; F63-A66 PolarHBondContact O-N 3.46Å; A66-V69 PolarHBondContact O-N 2.95Å; A66-L70 WeakPolarHBondContact O-CB 3.43Å; A66-L70 WeakPolarHBondContact O-CG 2.93Å; A66-L70 PolarHBondContact O-N 2.97Å
67	L	66.6	Low	61.5	Low	86 Å²	86	100 Å²	100	45%	0.45	61%	0.607	S	S	.	*	H	α-helix	trans	-60.1	-45.1	173.5	-91.4	160.9	0	0	0	112.3	F63 L64 V69 L70 S71	F63-L67 HydrophobicContact CD1-CD1 3.88Å; F63-L67 HydrophobicContact CE1-CD1 3.47Å; F63-L67 VanDerWaalsContact CE1-CD1 3.47Å; F63-L67 HydrophobicContact CZ-CD1 3.94Å; F63-L67 PolarHBondContact O-N 2.82Å; L64-L67 PolarHBondContact O-N 3.46Å; L67-V69 PolarHBondContact O-N 3.09Å; L67-L70 PolarHBondContact O-N 3.38Å; L67-S71 PolarHBondContact O-N 3.15Å; L67-S71 PolarHBondContact O-OG 2.81Å
68	A	63.7	Low	59.4	Low	55 Å²	55	105 Å²	105	46%	0.455	62%	0.624	S	S	.	*	H	α-helix	trans	-60.4	-44.8	177.2	0	0	0	0	0	112.1	L64 L65 L70 S71 G72	L64-A68 WeakPolarHBondContact O-CB 3.31Å; L64-A68 PolarHBondContact O-N 2.91Å; L65-A68 PolarHBondContact O-N 3.29Å; A68-L70 PolarHBondContact O-N 2.93Å; A68-S71 WeakPolarHBondContact CA-OG 3.41Å; A68-S71 PolarHBondContact O-N 3.31Å; A68-S71 PolarHBondContact O-OG 3.2Å; A68-G72 PolarHBondContact O-N 3.4Å
69	V	68.5	Low	57	Low	86 Å²	86	114 Å²	114	52%	0.521	64%	0.644	S	S	.	*	H	α-helix	trans	-65.3	-36.3	177.4	171.2	0	0	0	0	112.1	L65 A66 L67	L65-V69 WeakPolarHBondContact O-CG2 3.09Å; L65-V69 PolarHBondContact O-N 3.28Å; A66-V69 PolarHBondContact O-N 2.95Å; L67-V69 PolarHBondContact O-N 3.09Å
70	L	52.4	Low	54.7	Low	129 Å²	129	111.8 Å²	111.8	68%	0.675	65%	0.654	S	S	*	*	H	α-helix	trans	-67.9	-46.9	174.3	-79.3	162.1	0	0	0	111.7	A66 L67 A68 G72 R73	A66-L70 WeakPolarHBondContact O-CB 3.43Å; A66-L70 WeakPolarHBondContact O-CG 2.93Å; A66-L70 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 3.38Å; A68-L70 PolarHBondContact O-N 2.93Å; L70-G72 VanDerWaalsContact C-N 3.3Å; L70-G72 PolarHBondContact O-N 3.1Å; L70-R73 PolarHBondContact O-N 2.99Å
71	S	49.1	Very low	52.3	Low	91 Å²	91	111.5 Å²	111.5	64%	0.636	67%	0.667	S	S	*	*	H	α-helix	trans	-63.7	-35.1	176	59.1	0	0	0	0	113	L67 A68 R73 G74	L67-S71 PolarHBondContact O-N 3.15Å; L67-S71 PolarHBondContact O-OG 2.81Å; A68-S71 WeakPolarHBondContact CA-OG 3.41Å; A68-S71 PolarHBondContact O-N 3.31Å; A68-S71 PolarHBondContact O-OG 3.2Å; S71-R73 PolarHBondContact O-N 3.37Å; S71-G74 PolarHBondContact O-N 3.01Å
72	G	41.5	Very low	49.8	Very low	61 Å²	61	117.7 Å²	117.7	63%	0.629	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-13	-179.2	0	0	0	0	0	114.9	A68 L70	A68-G72 PolarHBondContact O-N 3.4Å; L70-G72 VanDerWaalsContact C-N 3.3Å; L70-G72 PolarHBondContact O-N 3.1Å
73	R	43.1	Very low	47.5	Very low	210 Å²	210	123.6 Å²	123.6	79%	0.792	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-4.4	178.6	-75.5	-175.8	172.6	-158.1	-2.3	114.6	L70 S71 L75	L70-R73 PolarHBondContact O-N 2.99Å; S71-R73 PolarHBondContact O-N 3.37Å; R73-L75 VanDerWaalsContact C-N 3.32Å; R73-L75 PolarHBondContact O-N 3.04Å
74	G	38.8	Very low	44.9	Very low	67 Å²	67	126.9 Å²	126.9	69%	0.691	73%	0.726	S	S	*	*	S	Bend	trans	-74.1	-14.1	-179.6	0	0	0	0	0	115.7	S71	S71-G74 PolarHBondContact O-N 3.01Å
75	L	36.4	Very low	42.8	Very low	162 Å²	162	127.7 Å²	127.7	85%	0.848	74%	0.738	S	S	*	*	S	Bend	trans	-137.9	52.5	-165.6	-83.6	151.1	0	0	0	113.3	R73	R73-L75 VanDerWaalsContact C-N 3.32Å; R73-L75 PolarHBondContact O-N 3.04Å
76	C	32.5	Very low	40.5	Very low	131 Å²	131	125.7 Å²	125.7	89%	0.885	75%	0.747	S	S	*	*			trans	-175.5	95.9	152.5	-113.2	0	0	0	0	113.6
77	S	28.2	Very low	38.7	Very low	127 Å²	127	127.5 Å²	127.5	89%	0.888	77%	0.77	S	S	*	*			trans	-163.1	86.1	147	-165.8	0	0	0	0	110.9
78	Q	36.1	Very low	36.8	Very low	198 Å²	198	126.9 Å²	126.9	93%	0.925	78%	0.784	S	S	*	*			trans	-136.6	79.9	170.8	-162.7	-177.6	31.3	0	0	109.5
79	R	27	Very low	35.3	Very low	251 Å²	251	128.9 Å²	128.9	95%	0.947	80%	0.801	S	S	*	*			trans	-157	146.1	165.6	-116.9	169.2	-175	172.6	1.7	111.3
80	A	34.1	Very low	33.5	Very low	105 Å²	105	131.3 Å²	131.3	87%	0.868	82%	0.816	S	S	*	*			trans	-75.3	151	-171.8	0	0	0	0	0	113.5
81	G	25.4	Very low	32.9	Very low	71 Å²	71	136 Å²	136	73%	0.732	83%	0.825	S	S	*	*			trans	-120.2	150.4	159.4	0	0	0	0	0	109.1
82	L	26.3	Very low	32.2	Very low	179 Å²	179	137.5 Å²	137.5	94%	0.937	83%	0.832	S	S	*	*			trans	-77.2	150.6	-172	-76.9	80.9	0	0	0	113.1
83	E	28.2	Very low	31.8	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	84%	0.839	S	S	*	*			trans	-73	146.8	166.6	-57.5	174.2	111	0	0	111.8
84	Q	25.5	Very low	31.8	Very low	191 Å²	191	137.7 Å²	137.7	89%	0.893	85%	0.848	S	S	*	*			trans	-137.6	149.9	136.9	-81.1	-155.8	-12.6	0	0	109.4
85	P	32	Very low	31.6	Very low	129 Å²	129	138 Å²	138	84%	0.838	85%	0.85	S	S	*	*			trans	-93.3	145.2	-151.6	34.6	-36.1	0	0	0	114.7
86	G	26.4	Very low	31.9	Very low	77 Å²	77	133.6 Å²	133.6	79%	0.794	84%	0.844	S	S	*	*			trans	-148.9	99.9	173.2	0	0	0	0	0	113.4	G88	G86-G88 PolarHBondContact O-N 3.04Å
87	G	30.2	Very low	33.1	Very low	87 Å²	87	132 Å²	132	90%	0.897	84%	0.84	S	S	*	*			trans	64.2	32	154.2	0	0	0	0	0	118.4	A89	G87-A89 PolarHBondContact O-N 3.2Å; G87-A89 VanDerWaalsContact O-N 3.14Å
88	G	27	Very low	35.1	Very low	73 Å²	73	130 Å²	130	75%	0.753	82%	0.818	S	S	*	*			trans	-66.1	109.7	177	0	0	0	0	0	113.1	G86 T90	G86-G88 PolarHBondContact O-N 3.04Å; G88-T90 PolarHBondContact O-N 3.16Å
89	A	32.9	Very low	37.5	Very low	98 Å²	98	122.8 Å²	122.8	81%	0.81	79%	0.785	S	S	*	*			trans	-68.7	122.2	162.1	0	0	0	0	0	108.9	G87 R91	G87-A89 PolarHBondContact O-N 3.2Å; G87-A89 VanDerWaalsContact O-N 3.14Å; A89-R91 PolarHBondContact O-N 2.91Å; A89-R91 VanDerWaalsContact O-N 3.09Å
90	T	30.7	Very low	40.5	Very low	136 Å²	136	119 Å²	119	83%	0.834	77%	0.772	S	S	*	*			trans	-69.1	106.4	-176.3	47.7	0	0	0	0	111.2	G88	G88-T90 PolarHBondContact O-N 3.16Å
91	R	38.9	Very low	43.2	Very low	228 Å²	228	115.6 Å²	115.6	86%	0.86	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-57.7	130.3	158.4	-76.8	-178.7	168.3	172.4	-5.7	108.4	A89	A89-R91 PolarHBondContact O-N 2.91Å; A89-R91 VanDerWaalsContact O-N 3.09Å
92	P	34.7	Very low	46.4	Very low	123 Å²	123	114.4 Å²	114.4	80%	0.799	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-56.6	149.6	166.3	-22.8	34.3	0	0	0	110.4
93	A	34.3	Very low	49.7	Very low	94 Å²	94	110.5 Å²	110.5	78%	0.777	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-67.3	144	178.7	0	0	0	0	0	111.4	G95	A93-G95 PolarHBondContact O-N 3.34Å
94	D	42.3	Very low	52.9	Low	180 Å²	180	101.8 Å²	101.8	96%	0.963	66%	0.662	S	S	*	*	S	Bend	trans	-63.1	119.3	172.3	-160.9	9.3	0	0	0	109.1
95	G	33.8	Very low	56.3	Low	73 Å²	73	94.6 Å²	94.6	75%	0.753	63%	0.627	S	S	*	*			trans	145.8	0.8	-167.2	0	0	0	0	0	117.2	A93	A93-G95 PolarHBondContact O-N 3.34Å
96	G	43	Very low	59.3	Low	70 Å²	70	92.2 Å²	92.2	72%	0.722	61%	0.605	S	S	*	*	S	Bend	trans	-71.1	140.6	160.8	0	0	0	0	0	110.5	E98	G96-E98 PolarHBondContact O-N 2.93Å
97	A	57.6	Low	62.6	Low	97 Å²	97	90.6 Å²	90.6	80%	0.802	58%	0.577	S	S	*	*			trans	-64.7	134.5	171.8	0	0	0	0	0	109.9	L99	A97-L99 PolarHBondContact O-N 3.48Å
98	E	70.8	Confident	65.8	Low	87 Å²	87	86.5 Å²	86.5	41%	0.407	53%	0.534	S	S	.	.			trans	-67	115.1	178.8	-170.7	164.4	159	0	0	109.6	G96 Y100 R388	G96-E98 PolarHBondContact O-N 2.93Å; E98-Y100 PolarHBondContact O-N 2.95Å; E98-R388 VanDerWaalsContact CD-NH2 3.26Å; E98-R388 IonicContact OE1-CZ 3Å; E98-R388 IonicContact OE1-NH1 3.59Å; E98-R388 PolarHBondContact OE1-NH1 2.92Å; E98-R388 IonicContact OE1-NH2 2.79Å; E98-R388 PolarHBondContact OE1-NH2 3.19Å; E98-R388 IonicContact OE2-CZ 3.44Å; E98-R388 IonicContact OE2-NH1 3.62Å; E98-R388 PolarHBondContact OE2-NH1 3.5Å; E98-R388 IonicContact OE2-NH2 2.82Å; E98-R388 PolarHBondContact OE2-NH2 3.29Å
99	L	86.5	Confident	69	Low	45 Å²	45	86.5 Å²	86.5	24%	0.236	51%	0.512	C	S	.	.			trans	-57.4	126.4	-177.3	-71	172	0	0	0	110.6	A97 L104 M107	A97-L99 PolarHBondContact O-N 3.48Å; L99-L104 HydrophobicContact CB-CD2 3.78Å; L99-L104 HydrophobicContact CB-CG 4Å; L99-L104 HydrophobicContact CD1-CD2 3.82Å; L99-L104 HydrophobicContact CG-CD2 4.48Å; L99-M107 HydrophobicContact CD1-CE 3.88Å
100	Y	90.5	Very high	71.9	Confident	173 Å²	173	90.5 Å²	90.5	68%	0.678	51%	0.506	S	S	*	.			trans	-67.3	147.1	-179.1	-68.1	-85	0	0	0	110.5	E98 G102 E103 L104	E98-Y100 PolarHBondContact O-N 2.95Å; Y100-G102 PolarHBondContact O-N 3.25Å; Y100-E103 PolarHBondContact N-OE2 3.42Å; Y100-E103 WeakPolarHBondContact O-CA 3.32Å; Y100-E103 WeakPolarHBondContact O-CB 3.49Å; Y100-E103 PolarHBondContact O-N 2.92Å; Y100-L104 PolarHBondContact O-N 3.24Å; Y100-L104 VanDerWaalsContact O-N 3.12Å
101	L	90.9	Very high	74.9	Confident	33 Å²	33	85.5 Å²	85.5	17%	0.173	47%	0.474	C	S	.	.	H	α-helix	trans	-46.3	-38.3	176.9	-173.2	59.9	0	0	0	113.4	E103 L104 R105 L595 R596 H599	L101-E103 PolarHBondContact O-N 2.82Å; L101-L104 PolarHBondContact O-N 2.72Å; L101-R105 VanDerWaalsContact O-CD 3.24Å; L101-R105 WeakPolarHBondContact O-CD 3.48Å; L101-R105 WeakPolarHBondContact O-CG 3.4Å; L101-R105 PolarHBondContact O-N 2.83Å; L101-L595 HydrophobicContact CD1-CB 4.13Å; L101-R596 HydrophobicContact CD2-CG 4.13Å; L101-H599 HydrophobicContact CD1-CB 4.18Å; L101-H599 PolarHBondContact N-NE2 2.92Å
102	G	93.1	Very high	77.5	Confident	45 Å²	45	74.8 Å²	74.8	46%	0.464	43%	0.434	S	S	.	.	H	α-helix	trans	-62.1	-39.2	175.5	0	0	0	0	0	114.5	Y100 E106	Y100-G102 PolarHBondContact O-N 3.25Å; G102-E106 PolarHBondContact O-N 2.98Å
103	E	94.9	Very high	79.7	Confident	97 Å²	97	73.5 Å²	73.5	45%	0.453	42%	0.417	S	S	.	.	H	α-helix	trans	-71.9	-38.8	178.3	-57.3	175.7	122.6	0	0	111.1	Y100 L101 R105 E106 M107	Y100-E103 PolarHBondContact N-OE2 3.42Å; Y100-E103 WeakPolarHBondContact O-CA 3.32Å; Y100-E103 WeakPolarHBondContact O-CB 3.49Å; Y100-E103 PolarHBondContact O-N 2.92Å; L101-E103 PolarHBondContact O-N 2.82Å; E103-R105 VanDerWaalsContact C-N 3.34Å; E103-R105 PolarHBondContact O-N 2.97Å; E103-E106 PolarHBondContact O-N 3.34Å; E103-M107 WeakPolarHBondContact O-CB 3.13Å; E103-M107 PolarHBondContact O-N 2.81Å
104	L	96.1	Very high	81.7	Confident	1 Å²	1	71 Å²	71	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-63.7	-38.5	175.6	-65.3	174.8	0	0	0	112.2	L99 Y100 L101 M107 M108 M427 F432 L595	L99-L104 HydrophobicContact CB-CD2 3.78Å; L99-L104 HydrophobicContact CB-CG 4Å; L99-L104 HydrophobicContact CD1-CD2 3.82Å; L99-L104 HydrophobicContact CG-CD2 4.48Å; Y100-L104 PolarHBondContact O-N 3.24Å; Y100-L104 VanDerWaalsContact O-N 3.12Å; L101-L104 PolarHBondContact O-N 2.72Å; L104-M107 PolarHBondContact O-N 2.95Å; L104-M108 WeakPolarHBondContact O-CB 3.39Å; L104-M108 PolarHBondContact O-N 3.45Å; L104-M427 HydrophobicContact CB-CE 3.95Å; L104-M427 HydrophobicContact CD2-CE 4.04Å; L104-M427 WeakPolarHBondContact O-CE 3.3Å; L104-F432 HydrophobicContact CD1-CD2 3.57Å; L104-F432 HydrophobicContact CD1-CE2 3.6Å; L104-F432 HydrophobicContact CD2-CB 3.77Å; L104-F432 HydrophobicContact CD2-CD2 3.47Å; L104-F432 VanDerWaalsContact CD2-CD2 3.47Å; L104-F432 HydrophobicContact CD2-CE2 4.3Å; L104-F432 HydrophobicContact CD2-CG 3.77Å; L104-F432 HydrophobicContact CG-CD2 4.18Å; L104-L595 HydrophobicContact CB-CD2 4.11Å; L104-L595 HydrophobicContact CD1-CD2 4.46Å
105	R	95.2	Very high	83.1	Confident	41 Å²	41	70.7 Å²	70.7	16%	0.155	38%	0.383	C	S	.	.	H	α-helix	trans	-67.1	-44.6	176.2	-64.7	161.6	90.2	-151.1	7.5	111.7	L101 E103 M107 M108 R109 Q502 E592 L595	L101-R105 VanDerWaalsContact O-CD 3.24Å; L101-R105 WeakPolarHBondContact O-CD 3.48Å; L101-R105 WeakPolarHBondContact O-CG 3.4Å; L101-R105 PolarHBondContact O-N 2.83Å; E103-R105 VanDerWaalsContact C-N 3.34Å; E103-R105 PolarHBondContact O-N 2.97Å; R105-M107 VanDerWaalsContact C-N 3.32Å; R105-M107 PolarHBondContact O-N 3.33Å; R105-M108 PolarHBondContact O-N 2.96Å; R105-R109 WeakPolarHBondContact O-CB 3.46Å; R105-R109 VanDerWaalsContact O-CG 3.28Å; R105-R109 WeakPolarHBondContact O-CG 3.38Å; R105-R109 PolarHBondContact O-N 3.41Å; R105-Q502 VanDerWaalsContact CZ-OE1 3.31Å; R105-E592 VanDerWaalsContact CG-OE1 3.29Å; R105-E592 WeakPolarHBondContact CG-OE1 3.49Å; R105-E592 IonicContact CZ-OE1 3.25Å; R105-E592 IonicContact CZ-OE2 3.14Å; R105-E592 IonicContact NE-OE1 3.73Å; R105-E592 PolarHBondContact NE-OE1 3.41Å; R105-E592 IonicContact NE-OE2 2.67Å; R105-E592 PolarHBondContact NE-OE2 2.92Å; R105-E592 VanDerWaalsContact NH2-CD 3.32Å; R105-E592 IonicContact NH2-OE1 2.77Å; R105-E592 PolarHBondContact NH2-OE1 3.49Å; R105-E592 IonicContact NH2-OE2 3.24Å; R105-E592 PolarHBondContact NH2-OE2 2.94Å; R105-L595 HydrophobicContact CG-CD1 4.05Å
106	E	95.3	Very high	85.4	Confident	79 Å²	79	70.4 Å²	70.4	37%	0.369	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-39.4	172.6	-83.6	-64	119.2	0	0	112.4	G102 E103 R110	G102-E106 PolarHBondContact O-N 2.98Å; E103-E106 PolarHBondContact O-N 3.34Å; E106-R110 VanDerWaalsContact O-CD 3.29Å; E106-R110 WeakPolarHBondContact O-CD 3.33Å; E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.18Å; E106-R110 VanDerWaalsContact O-N 3.14Å; E106-R110 PolarHBondContact O-NE 3.29Å; E106-R110 IonicContact OE2-CZ 3.39Å; E106-R110 IonicContact OE2-NE 3.26Å; E106-R110 PolarHBondContact OE2-NE 3.46Å; E106-R110 IonicContact OE2-NH2 2.7Å; E106-R110 PolarHBondContact OE2-NH2 2.88Å
107	M	96.3	Very high	87.7	Confident	43 Å²	43	67.3 Å²	67.3	21%	0.212	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-48.8	174.1	-170.2	-173	-65.3	0	0	111.3	L99 E103 L104 R105 R110 L111 M427 N430	L99-M107 HydrophobicContact CD1-CE 3.88Å; E103-M107 WeakPolarHBondContact O-CB 3.13Å; E103-M107 PolarHBondContact O-N 2.81Å; L104-M107 PolarHBondContact O-N 2.95Å; R105-M107 VanDerWaalsContact C-N 3.32Å; R105-M107 PolarHBondContact O-N 3.33Å; M107-R110 PolarHBondContact O-N 2.96Å; M107-L111 HydrophobicContact CG-CD1 3.88Å; M107-L111 WeakPolarHBondContact O-CB 3.39Å; M107-L111 VanDerWaalsContact O-CG 3.27Å; M107-L111 WeakPolarHBondContact O-CG 3.34Å; M107-L111 PolarHBondContact O-N 3.36Å; M107-M427 HydrophobicContact CB-CE 4.44Å; M107-M427 HydrophobicContact CG-CG 4.16Å; M107-M427 HydrophobicContact SD-CB 3.96Å; M107-M427 HydrophobicContact SD-CE 4.47Å; M107-M427 HydrophobicContact SD-CG 3.82Å; M107-N430 HydrophobicContact CE-CB 4.16Å; M107-N430 HydrophobicContact SD-CB 3.99Å
108	M	96.4	Very high	89.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-48.4	177	-173.9	-178.9	68.3	0	0	111.8	L104 R105 R110 L111 L112 T423 M427 E588 G591 E592 L595	L104-M108 WeakPolarHBondContact O-CB 3.39Å; L104-M108 PolarHBondContact O-N 3.45Å; R105-M108 PolarHBondContact O-N 2.96Å; M108-R110 PolarHBondContact O-N 3.06Å; M108-L111 PolarHBondContact O-N 3.02Å; M108-L112 HydrophobicContact CG-CD1 4.23Å; M108-L112 HydrophobicContact CG-CG 4.48Å; M108-L112 WeakPolarHBondContact O-CG 3.49Å; M108-L112 PolarHBondContact O-N 3.27Å; M108-T423 HydrophobicContact CG-CG2 3.85Å; M108-M427 HydrophobicContact CB-CE 4.15Å; M108-M427 HydrophobicContact CB-SD 3.79Å; M108-M427 HydrophobicContact CG-SD 4.22Å; M108-E588 HydrophobicContact CE-CG 4Å; M108-G591 VanDerWaalsContact SD-C 3.55Å; M108-G591 VanDerWaalsContact SD-CA 3.56Å; M108-E592 HydrophobicContact CE-CG 3.97Å; M108-L595 HydrophobicContact CB-CD1 4.27Å; M108-L595 HydrophobicContact CE-CD1 3.85Å; M108-L595 HydrophobicContact SD-CD1 3.62Å; M108-L595 HydrophobicContact SD-CG 4.28Å
109	R	94	Very high	90.4	Very high	73 Å²	73	63.9 Å²	63.9	28%	0.275	31%	0.306	S	S	.	.	H	α-helix	trans	-57.6	-33.9	177.9	-79.3	176.8	168	-158.6	-8.7	113.3	R105 Q502 R584 E588	R105-R109 WeakPolarHBondContact O-CB 3.46Å; R105-R109 VanDerWaalsContact O-CG 3.28Å; R105-R109 WeakPolarHBondContact O-CG 3.38Å; R105-R109 PolarHBondContact O-N 3.41Å; R109-Q502 PolarHBondContact NH2-O 2.83Å; R109-R584 PolarHBondContact O-NH2 3.41Å; R109-E588 HydrophobicContact CG-CG 4.25Å; R109-E588 IonicContact CZ-OE1 2.93Å; R109-E588 IonicContact NE-OE1 2.74Å; R109-E588 PolarHBondContact NE-OE1 3.39Å; R109-E588 IonicContact NE-OE2 2.65Å; R109-E588 IonicContact NH2-OE1 2.69Å; R109-E588 PolarHBondContact NH2-OE1 3.25Å
110	R	94.3	Very high	90.9	Very high	183 Å²	183	62 Å²	62	69%	0.691	30%	0.296	S	S	*	.	H	α-helix	trans	-81.8	-25.5	176.4	-66.4	164.8	-161.8	-168.8	5.4	113	E106 M107 M108	E106-R110 VanDerWaalsContact O-CD 3.29Å; E106-R110 WeakPolarHBondContact O-CD 3.33Å; E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.18Å; E106-R110 VanDerWaalsContact O-N 3.14Å; E106-R110 PolarHBondContact O-NE 3.29Å; E106-R110 IonicContact OE2-CZ 3.39Å; E106-R110 IonicContact OE2-NE 3.26Å; E106-R110 PolarHBondContact OE2-NE 3.46Å; E106-R110 IonicContact OE2-NH2 2.7Å; E106-R110 PolarHBondContact OE2-NH2 2.88Å; M107-R110 PolarHBondContact O-N 2.96Å; M108-R110 PolarHBondContact O-N 3.06Å
111	L	94.5	Very high	91.2	Very high	31 Å²	31	53.9 Å²	53.9	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-84.5	-29.3	-178.3	-75.9	173.9	0	0	0	113.8	M107 M108 R422 T423 T426 M427	M107-L111 HydrophobicContact CG-CD1 3.88Å; M107-L111 WeakPolarHBondContact O-CB 3.39Å; M107-L111 VanDerWaalsContact O-CG 3.27Å; M107-L111 WeakPolarHBondContact O-CG 3.34Å; M107-L111 PolarHBondContact O-N 3.36Å; M108-L111 PolarHBondContact O-N 3.02Å; L111-R422 PolarHBondContact O-NH2 3.45Å; L111-T423 HydrophobicContact CB-CG2 3.92Å; L111-T426 HydrophobicContact CD1-CG2 3.96Å; L111-T426 HydrophobicContact CD2-CG2 3.54Å; L111-T426 HydrophobicContact CG-CG2 4.42Å; L111-M427 HydrophobicContact CD1-CG 3.5Å
112	L	92.7	Very high	91.4	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	27%	0.274	C	S	.	.			trans	-64.9	135.8	177.7	-72.1	168.8	0	0	0	112.3	M108 E419 T423 R584 A587 E588	M108-L112 HydrophobicContact CG-CD1 4.23Å; M108-L112 HydrophobicContact CG-CG 4.48Å; M108-L112 WeakPolarHBondContact O-CG 3.49Å; M108-L112 PolarHBondContact O-N 3.27Å; L112-E419 WeakPolarHBondContact CA-OE1 3.16Å; L112-E419 HydrophobicContact CD2-CG 3.96Å; L112-T423 HydrophobicContact CD2-CG2 4.36Å; L112-T423 HydrophobicContact CG-CG2 4.42Å; L112-R584 HydrophobicContact CB-CG 4.16Å; L112-R584 VanDerWaalsContact O-CZ 3.24Å; L112-R584 PolarHBondContact O-NH1 2.77Å; L112-R584 PolarHBondContact O-NH2 3.1Å; L112-A587 HydrophobicContact CD2-CB 3.89Å; L112-E588 HydrophobicContact CD1-CB 3.83Å; L112-E588 HydrophobicContact CD1-CG 4.25Å
113	Q	81.6	Confident	91.6	Very high	95 Å²	95	58 Å²	58	44%	0.444	27%	0.272	S	S	.	.			trans	-133	123.4	-171.7	-70.2	176.4	13.8	0	0	112.9	E419	Q113-E419 PolarHBondContact N-OE1 3.07Å
114	D	77.1	Confident	91.7	Very high	42 Å²	42	53.7 Å²	53.7	23%	0.225	25%	0.253	C	S	.	.	H	α-helix	trans	-72.7	-32.4	-175	-64.2	44.4	0	0	0	113.6	L117 V581 R584	D114-L117 PolarHBondContact O-N 2.98Å; D114-V581 VanDerWaalsContact OD2-CA 3.29Å; D114-V581 WeakPolarHBondContact OD2-CA 3.33Å; D114-V581 PolarHBondContact OD2-N 2.99Å; D114-R584 VanDerWaalsContact OD1-CD 3.28Å; D114-R584 WeakPolarHBondContact OD1-CD 3.39Å; D114-R584 WeakPolarHBondContact OD1-CG 3.38Å; D114-R584 IonicContact OD1-CZ 3.99Å; D114-R584 IonicContact OD1-NE 3.68Å; D114-R584 IonicContact OD1-NH1 3.88Å; D114-R584 PolarHBondContact OD1-NH1 3Å
115	E	70.4	Confident	91.7	Very high	174 Å²	174	54.1 Å²	54.1	81%	0.813	26%	0.256	S	S	*	.	H	α-helix	trans	-70.3	-39.4	-172.6	-61	-173.6	171.4	0	0	112.2	L117 S119	E115-L117 VanDerWaalsContact C-N 3.28Å; E115-L117 PolarHBondContact O-N 3.46Å; E115-S119 PolarHBondContact O-N 3.25Å
116	D	82.9	Confident	91.8	Very high	66 Å²	66	56 Å²	56	35%	0.353	26%	0.263	S	S	.	.	H	α-helix	trans	-71.8	-22.7	-178.7	-114.7	7.3	0	0	0	112.6	S119 T120	D116-S119 PolarHBondContact O-OG 3.37Å; D116-S119 VanDerWaalsContact O-OG 3.1Å; D116-T120 WeakPolarHBondContact O-CB 3.44Å; D116-T120 PolarHBondContact O-N 3.05Å; D116-T120 VanDerWaalsContact O-N 3.08Å; D116-T120 PolarHBondContact O-OG1 3.33Å
117	L	90.6	Very high	91.8	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-67	-54.9	174.2	-69	169.6	0	0	0	110.9	D114 E115 S119 T120 V121 A415 I416 E419	D114-L117 PolarHBondContact O-N 2.98Å; E115-L117 VanDerWaalsContact C-N 3.28Å; E115-L117 PolarHBondContact O-N 3.46Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.33Å; L117-T120 PolarHBondContact O-N 3.49Å; L117-T120 VanDerWaalsContact O-N 3.16Å; L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 2.91Å; L117-A415 HydrophobicContact CD2-CB 4.12Å; L117-I416 HydrophobicContact CD2-CG1 4.2Å; L117-E419 HydrophobicContact CD2-CB 3.78Å; L117-E419 HydrophobicContact CD2-CG 4.01Å; L117-E419 HydrophobicContact CG-CG 4.39Å
118	L	92.2	Very high	91.8	Very high	57 Å²	57	56.4 Å²	56.4	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-41.7	179.7	173.1	61.4	0	0	0	112.1	T120 S122 V568 Q572 L579	L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.02Å; L118-S122 WeakPolarHBondContact O-CB 3.35Å; L118-S122 PolarHBondContact O-N 2.91Å; L118-S122 PolarHBondContact O-OG 3.45Å; L118-V568 HydrophobicContact CD1-CG1 3.8Å; L118-Q572 VanDerWaalsContact CD1-NE2 3.31Å; L118-L579 HydrophobicContact CD1-CD2 3.92Å
119	S	93.6	Very high	91.9	Very high	54 Å²	54	56.4 Å²	56.4	38%	0.378	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-38.6	177.8	81.8	0	0	0	0	111.3	E115 D116 L117 R123	E115-S119 PolarHBondContact O-N 3.25Å; D116-S119 PolarHBondContact O-OG 3.37Å; D116-S119 VanDerWaalsContact O-OG 3.1Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.33Å; S119-R123 WeakPolarHBondContact O-CB 3.46Å; S119-R123 PolarHBondContact O-N 3.34Å
120	T	95.9	Very high	92	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-75	-44.6	-179.1	-57.4	0	0	0	0	112.2	D116 L117 L118 S122 R123 V124 R146 A415 L418	D116-T120 WeakPolarHBondContact O-CB 3.44Å; D116-T120 PolarHBondContact O-N 3.05Å; D116-T120 VanDerWaalsContact O-N 3.08Å; D116-T120 PolarHBondContact O-OG1 3.33Å; L117-T120 PolarHBondContact O-N 3.49Å; L117-T120 VanDerWaalsContact O-N 3.16Å; L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.02Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.4Å; T120-R123 PolarHBondContact O-N 2.75Å; T120-V124 WeakPolarHBondContact O-CG2 3.18Å; T120-V124 PolarHBondContact O-N 3.15Å; T120-R146 PolarHBondContact OG1-NH1 3.16Å; T120-R146 PolarHBondContact OG1-NH2 2.84Å; T120-A415 HydrophobicContact CG2-CB 3.88Å; T120-L418 HydrophobicContact CG2-CD1 3.73Å
121	V	97.1	Very high	92	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-54.8	-48.2	172.5	179	0	0	0	0	109.7	L117 R123 V124 S125 A407 V412 A415 V568 L579	L117-V121 WeakPolarHBondContact O-CG2 3.42Å; L117-V121 PolarHBondContact O-N 2.91Å; V121-R123 VanDerWaalsContact C-N 3.26Å; V121-R123 PolarHBondContact O-N 3.24Å; V121-V124 PolarHBondContact O-N 3.27Å; V121-S125 PolarHBondContact O-N 3.25Å; V121-S125 PolarHBondContact O-OG 3.2Å; V121-S125 VanDerWaalsContact O-OG 3.07Å; V121-A407 HydrophobicContact CG1-CB 4.39Å; V121-V412 HydrophobicContact CG2-CG2 4.25Å; V121-A415 HydrophobicContact CG2-CB 3.64Å; V121-V568 HydrophobicContact CG1-CG2 3.95Å; V121-L579 HydrophobicContact CB-CD2 4.39Å; V121-L579 HydrophobicContact CG1-CD2 4.34Å; V121-L579 HydrophobicContact CG2-CD2 4.31Å
122	S	95.9	Very high	91.8	Very high	52 Å²	52	47.4 Å²	47.4	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-27.2	178.6	-52.2	0	0	0	0	114.1	L118 T120	L118-S122 WeakPolarHBondContact O-CB 3.35Å; L118-S122 PolarHBondContact O-N 2.91Å; L118-S122 PolarHBondContact O-OG 3.45Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.4Å
123	R	96.1	Very high	91.9	Very high	113 Å²	113	48.4 Å²	48.4	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-80.2	-32.7	177.1	-176.1	62.7	-174.3	162.7	16.2	112.4	S119 T120 V121 R126 E142	S119-R123 WeakPolarHBondContact O-CB 3.46Å; S119-R123 PolarHBondContact O-N 3.34Å; T120-R123 PolarHBondContact O-N 2.75Å; V121-R123 VanDerWaalsContact C-N 3.26Å; V121-R123 PolarHBondContact O-N 3.24Å; R123-R126 WeakPolarHBondContact O-CD 3.32Å; R123-R126 PolarHBondContact O-NH1 2.71Å; R123-E142 WeakPolarHBondContact CG-OE2 3.15Å; R123-E142 IonicContact CZ-OE1 2.7Å; R123-E142 IonicContact CZ-OE2 2.72Å; R123-E142 IonicContact NE-OE1 3.47Å; R123-E142 PolarHBondContact NE-OE1 3.15Å; R123-E142 IonicContact NE-OE2 3.43Å; R123-E142 PolarHBondContact NE-OE2 2.88Å; R123-E142 VanDerWaalsContact NH2-CD 3.34Å; R123-E142 IonicContact NH2-OE1 3.4Å; R123-E142 PolarHBondContact NH2-OE1 2.78Å; R123-E142 IonicContact NH2-OE2 2.74Å; R123-E142 PolarHBondContact NH2-OE2 2.85Å
124	V	97.2	Very high	92.5	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-76.9	-55.4	175.7	178.3	0	0	0	0	110.5	T120 V121 R126 H129 L139 S410 T414	T120-V124 WeakPolarHBondContact O-CG2 3.18Å; T120-V124 PolarHBondContact O-N 3.15Å; V121-V124 PolarHBondContact O-N 3.27Å; V124-R126 PolarHBondContact O-N 3.38Å; V124-H129 PolarHBondContact O-CE1 3.4Å; V124-L139 HydrophobicContact CG1-CD1 4.27Å; V124-S410 WeakPolarHBondContact CG1-OG 3.18Å; V124-T414 HydrophobicContact CG2-CG2 3.85Å
125	S	97.1	Very high	93.5	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.07	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	42.7	-174	73.5	0	0	0	0	114.2	V121 P405 A407 V568	V121-S125 PolarHBondContact O-N 3.25Å; V121-S125 PolarHBondContact O-OG 3.2Å; V121-S125 VanDerWaalsContact O-OG 3.07Å; S125-P405 WeakPolarHBondContact CA-O 3.25Å; S125-P405 WeakPolarHBondContact CB-O 3.34Å; S125-A407 VanDerWaalsContact CB-CA 3.44Å; S125-V568 WeakPolarHBondContact OG-CG2 3.41Å
126	R	95.9	Very high	94.7	Very high	80 Å²	80	40.5 Å²	40.5	30%	0.302	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-21.7	-176.6	67.5	-178.3	-175.5	-115.8	3.9	113.7	R123 V124 E135 E142	R123-R126 WeakPolarHBondContact O-CD 3.32Å; R123-R126 PolarHBondContact O-NH1 2.71Å; V124-R126 PolarHBondContact O-N 3.38Å; R126-E135 WeakPolarHBondContact CD-OE1 3.49Å; R126-E135 WeakPolarHBondContact CG-OE1 3.38Å; R126-E135 IonicContact CZ-OE1 2.76Å; R126-E135 VanDerWaalsContact CZ-OE1 3.24Å; R126-E135 IonicContact CZ-OE2 2.73Å; R126-E135 IonicContact NE-OE1 3.47Å; R126-E135 PolarHBondContact NE-OE1 3.26Å; R126-E135 IonicContact NE-OE2 2.69Å; R126-E135 VanDerWaalsContact NH2-CD 3.3Å; R126-E135 IonicContact NH2-OE1 2.76Å; R126-E135 PolarHBondContact NH2-OE1 2.96Å; R126-E135 IonicContact NH2-OE2 3.81Å; R126-E135 PolarHBondContact NH2-OE2 2.82Å; R126-E142 IonicContact CZ-OE1 3.25Å; R126-E142 IonicContact NH1-OE1 2.71Å; R126-E142 PolarHBondContact NH1-OE1 3.01Å; R126-E142 IonicContact NH1-OE2 3.46Å; R126-E142 IonicContact NH2-OE1 3.38Å; R126-E142 PolarHBondContact NH2-OE1 3.05Å; R126-E142 VanDerWaalsContact NH2-OE1 3.09Å
127	A	96.5	Very high	95.3	Very high	41 Å²	41	40.5 Å²	40.5	34%	0.339	24%	0.243	S	C	.	.	S	Bend	trans	-158.7	168.3	178.7	0	0	0	0	0	109.5	H129 E135	A127-H129 PolarHBondContact O-N 3.42Å; A127-H129 PolarHBondContact O-ND1 3.26Å; A127-E135 HydrophobicContact CB-CG 4.39Å
128	D	96.4	Very high	95.6	Very high	89 Å²	89	43.3 Å²	43.3	48%	0.476	26%	0.26	S	S	.	.			trans	-63.4	130.8	172.3	-53.7	-28.7	0	0	0	110.1	G404 P405	D128-G404 VanDerWaalsContact OD1-CA 3.28Å; D128-G404 WeakPolarHBondContact OD1-CA 3.45Å; D128-P405 WeakPolarHBondContact OD1-CD 3.42Å; D128-P405 WeakPolarHBondContact OD1-CG 3.34Å; D128-P405 VanDerWaalsContact OD1-N 3.16Å
129	H	97.2	Very high	95.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-138	62.2	-174.3	53.2	-90.1	0	0	0	112.6	V124 A127 E135 L139 R400 D401 S402 P405 S410	V124-H129 PolarHBondContact O-CE1 3.4Å; A127-H129 PolarHBondContact O-N 3.42Å; A127-H129 PolarHBondContact O-ND1 3.26Å; H129-E135 HydrophobicContact CB-CB 4.2Å; H129-E135 HydrophobicContact CB-CG 3.82Å; H129-L139 HydrophobicContact CB-CD1 3.75Å; H129-R400 PolarHBondContact CD2-O 3.39Å; H129-R400 PolarHBondContact NE2-O 3.25Å; H129-R400 VanDerWaalsContact NE2-O 3.09Å; H129-D401 WeakPolarHBondContact O-CA 3.44Å; H129-S402 CarbonylContact C-O 3.4Å; H129-S402 PolarHBondContact N-O 2.79Å; H129-S402 PolarHBondContact O-N 3.44Å; H129-P405 PolarHBondContact CE1-O 2.98Å; H129-S410 PolarHBondContact NE2-OG 2.93Å
130	P	95.9	Very high	96	Very high	41 Å²	41	38.5 Å²	38.5	27%	0.266	23%	0.231	S	C	.	.			trans	-66.3	162.5	175.2	28.9	-35.2	0	0	0	111	S133 S402 L403	P130-S133 WeakPolarHBondContact O-CB 3.46Å; P130-S133 PolarHBondContact O-N 2.94Å; P130-S133 VanDerWaalsContact O-N 3.12Å; P130-S133 PolarHBondContact O-OG 2.86Å; P130-S402 WeakPolarHBondContact CA-O 3.45Å; P130-L403 HydrophobicContact CB-CD2 4.19Å
131	P	94.5	Very high	96.1	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.091	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	144	-179.3	-21.2	32.5	0	0	0	112.1	S133 L164 V376 L378 D401 A445 F448	P131-S133 PolarHBondContact O-N 3.32Å; P131-S133 VanDerWaalsContact O-N 3.15Å; P131-L164 HydrophobicContact CB-CD1 3.61Å; P131-L164 HydrophobicContact CG-CD1 3.92Å; P131-V376 HydrophobicContact CB-CG1 4.37Å; P131-L378 HydrophobicContact CB-CD2 3.51Å; P131-D401 HydrophobicContact CG-CB 3.72Å; P131-A445 HydrophobicContact CB-CB 4.02Å; P131-A445 HydrophobicContact CG-CB 3.69Å; P131-F448 HydrophobicContact CG-CD2 3.84Å; P131-F448 HydrophobicContact CG-CE2 3.81Å
132	G	90.8	Very high	96.1	Very high	42 Å²	42	44 Å²	44	43%	0.433	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	-3.7	-176	0	0	0	0	0	116
133	S	94.7	Very high	96.2	Very high	25 Å²	25	41.9 Å²	41.9	18%	0.175	25%	0.249	C	C	.	.			trans	-68	156	174.5	65.9	0	0	0	0	112	P130 P131 E135 G136 T137	P130-S133 WeakPolarHBondContact O-CB 3.46Å; P130-S133 PolarHBondContact O-N 2.94Å; P130-S133 VanDerWaalsContact O-N 3.12Å; P130-S133 PolarHBondContact O-OG 2.86Å; P131-S133 PolarHBondContact O-N 3.32Å; P131-S133 VanDerWaalsContact O-N 3.15Å; S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 2.81Å; S133-G136 PolarHBondContact O-N 3.22Å; S133-G136 PolarHBondContact OG-N 3.13Å; S133-T137 WeakPolarHBondContact O-CB 3.39Å; S133-T137 PolarHBondContact O-N 3.48Å; S133-T137 PolarHBondContact O-OG1 3.46Å
134	S	95.4	Very high	96.2	Very high	102 Å²	102	37.4 Å²	37.4	71%	0.713	23%	0.234	S	C	*	.	H	α-helix	trans	-58.1	-41.4	171.9	48	0	0	0	0	111.7	T137 V138	S134-T137 WeakPolarHBondContact O-CB 3.38Å; S134-T137 PolarHBondContact O-N 2.75Å; S134-V138 WeakPolarHBondContact O-CG2 3.38Å; S134-V138 PolarHBondContact O-N 3Å
135	E	96.3	Very high	96.2	Very high	35 Å²	35	38.4 Å²	38.4	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-45.4	176.9	-176.7	72.5	142.5	0	0	112	R126 A127 H129 S133 T137 V138 L139	R126-E135 WeakPolarHBondContact CD-OE1 3.49Å; R126-E135 WeakPolarHBondContact CG-OE1 3.38Å; R126-E135 IonicContact CZ-OE1 2.76Å; R126-E135 VanDerWaalsContact CZ-OE1 3.24Å; R126-E135 IonicContact CZ-OE2 2.73Å; R126-E135 IonicContact NE-OE1 3.47Å; R126-E135 PolarHBondContact NE-OE1 3.26Å; R126-E135 IonicContact NE-OE2 2.69Å; R126-E135 VanDerWaalsContact NH2-CD 3.3Å; R126-E135 IonicContact NH2-OE1 2.76Å; R126-E135 PolarHBondContact NH2-OE1 2.96Å; R126-E135 IonicContact NH2-OE2 3.81Å; R126-E135 PolarHBondContact NH2-OE2 2.82Å; A127-E135 HydrophobicContact CB-CG 4.39Å; H129-E135 HydrophobicContact CB-CB 4.2Å; H129-E135 HydrophobicContact CB-CG 3.82Å; S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 2.81Å; E135-T137 PolarHBondContact O-N 2.89Å; E135-V138 PolarHBondContact O-N 2.84Å; E135-V138 VanDerWaalsContact O-N 3.1Å; E135-L139 HydrophobicContact CG-CD1 4.28Å; E135-L139 WeakPolarHBondContact O-CG 3.38Å; E135-L139 PolarHBondContact O-N 2.9Å
136	G	95.8	Very high	96.2	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-36.2	174.3	0	0	0	0	0	112.9	S133 L139 A140	S133-G136 PolarHBondContact O-N 3.22Å; S133-G136 PolarHBondContact OG-N 3.13Å; G136-L139 PolarHBondContact O-N 3.1Å; G136-A140 WeakPolarHBondContact O-CB 3.37Å; G136-A140 PolarHBondContact O-N 2.87Å
137	T	95.5	Very high	96.3	Very high	66 Å²	66	37.8 Å²	37.8	41%	0.405	24%	0.242	S	C	.	.	H	α-helix	trans	-68.6	-39.8	174.4	-54.1	0	0	0	0	112.2	S133 S134 E135 S141	S133-T137 WeakPolarHBondContact O-CB 3.39Å; S133-T137 PolarHBondContact O-N 3.48Å; S133-T137 PolarHBondContact O-OG1 3.46Å; S134-T137 WeakPolarHBondContact O-CB 3.38Å; S134-T137 PolarHBondContact O-N 2.75Å; E135-T137 PolarHBondContact O-N 2.89Å; T137-S141 WeakPolarHBondContact O-CB 3.23Å; T137-S141 PolarHBondContact O-N 3.4Å; T137-S141 VanDerWaalsContact O-N 3.08Å; T137-S141 PolarHBondContact O-OG 3.27Å
138	V	96.8	Very high	96.3	Very high	64 Å²	64	43.2 Å²	43.2	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-44.6	172.9	171.4	0	0	0	0	110.4	S134 E135 A140 S141 E142	S134-V138 WeakPolarHBondContact O-CG2 3.38Å; S134-V138 PolarHBondContact O-N 3Å; E135-V138 PolarHBondContact O-N 2.84Å; E135-V138 VanDerWaalsContact O-N 3.1Å; V138-A140 PolarHBondContact O-N 2.98Å; V138-S141 CarbonylContact O-C 3.56Å; V138-S141 WeakPolarHBondContact O-CA 3.43Å; V138-S141 WeakPolarHBondContact O-CB 3.22Å; V138-S141 PolarHBondContact O-N 3.24Å; V138-S141 VanDerWaalsContact O-N 3.14Å; V138-E142 HydrophobicContact CG1-CG 4.41Å; V138-E142 WeakPolarHBondContact CG1-OE1 3.47Å; V138-E142 WeakPolarHBondContact O-CG 3.33Å; V138-E142 PolarHBondContact O-N 2.89Å
139	L	97.3	Very high	96.3	Very high	4 Å²	4	47 Å²	47	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-41.6	177	-69.4	173.8	0	0	0	112.3	V124 H129 E135 G136 S141 E142 V143 R400	V124-L139 HydrophobicContact CG1-CD1 4.27Å; H129-L139 HydrophobicContact CB-CD1 3.75Å; E135-L139 HydrophobicContact CG-CD1 4.28Å; E135-L139 WeakPolarHBondContact O-CG 3.38Å; E135-L139 PolarHBondContact O-N 2.9Å; G136-L139 PolarHBondContact O-N 3.1Å; L139-S141 VanDerWaalsContact C-N 3.28Å; L139-S141 PolarHBondContact O-N 3.27Å; L139-E142 PolarHBondContact O-N 2.9Å; L139-V143 WeakPolarHBondContact O-CG2 3.41Å; L139-V143 PolarHBondContact O-N 2.89Å; L139-R400 HydrophobicContact CB-CG 4.44Å
140	A	97.5	Very high	96.2	Very high	6 Å²	6	48.3 Å²	48.3	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-42.3	172.5	0	0	0	0	0	111.5	G136 V138 V143 L144 N379 I381	G136-A140 WeakPolarHBondContact O-CB 3.37Å; G136-A140 PolarHBondContact O-N 2.87Å; V138-A140 PolarHBondContact O-N 2.98Å; A140-V143 PolarHBondContact O-N 2.84Å; A140-L144 WeakPolarHBondContact O-CB 3.43Å; A140-L144 PolarHBondContact O-N 3.09Å; A140-N379 HydrophobicContact CB-CB 4.48Å; A140-I381 HydrophobicContact CB-CD1 4.23Å; A140-I381 HydrophobicContact CB-CG1 4.25Å
141	S	97.4	Very high	95.9	Very high	72 Å²	72	53.5 Å²	53.5	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-36.9	176.8	-56.9	0	0	0	0	112.8	T137 V138 L139 G145	T137-S141 WeakPolarHBondContact O-CB 3.23Å; T137-S141 PolarHBondContact O-N 3.4Å; T137-S141 VanDerWaalsContact O-N 3.08Å; T137-S141 PolarHBondContact O-OG 3.27Å; V138-S141 CarbonylContact O-C 3.56Å; V138-S141 WeakPolarHBondContact O-CA 3.43Å; V138-S141 WeakPolarHBondContact O-CB 3.22Å; V138-S141 PolarHBondContact O-N 3.24Å; V138-S141 VanDerWaalsContact O-N 3.14Å; L139-S141 VanDerWaalsContact C-N 3.28Å; L139-S141 PolarHBondContact O-N 3.27Å; S141-G145 PolarHBondContact O-N 2.93Å
142	E	97	Very high	95.8	Very high	52 Å²	52	53.6 Å²	53.6	24%	0.243	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-43.2	174.6	-74.5	-174	-125.7	0	0	112	R123 R126 V138 L139 G145 R146	R123-E142 WeakPolarHBondContact CG-OE2 3.15Å; R123-E142 IonicContact CZ-OE1 2.7Å; R123-E142 IonicContact CZ-OE2 2.72Å; R123-E142 IonicContact NE-OE1 3.47Å; R123-E142 PolarHBondContact NE-OE1 3.15Å; R123-E142 IonicContact NE-OE2 3.43Å; R123-E142 PolarHBondContact NE-OE2 2.88Å; R123-E142 VanDerWaalsContact NH2-CD 3.34Å; R123-E142 IonicContact NH2-OE1 3.4Å; R123-E142 PolarHBondContact NH2-OE1 2.78Å; R123-E142 IonicContact NH2-OE2 2.74Å; R123-E142 PolarHBondContact NH2-OE2 2.85Å; R126-E142 IonicContact CZ-OE1 3.25Å; R126-E142 IonicContact NH1-OE1 2.71Å; R126-E142 PolarHBondContact NH1-OE1 3.01Å; R126-E142 IonicContact NH1-OE2 3.46Å; R126-E142 IonicContact NH2-OE1 3.38Å; R126-E142 PolarHBondContact NH2-OE1 3.05Å; R126-E142 VanDerWaalsContact NH2-OE1 3.09Å; V138-E142 HydrophobicContact CG1-CG 4.41Å; V138-E142 WeakPolarHBondContact CG1-OE1 3.47Å; V138-E142 WeakPolarHBondContact O-CG 3.33Å; V138-E142 PolarHBondContact O-N 2.89Å; L139-E142 PolarHBondContact O-N 2.9Å; E142-G145 PolarHBondContact O-N 3.05Å; E142-R146 WeakPolarHBondContact O-CG 3.49Å; E142-R146 PolarHBondContact O-N 2.93Å
143	V	98	Very high	96.1	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-49.2	175.7	171.3	0	0	0	0	110.8	L139 A140 G145 R146 F147 I381 T414 L418	L139-V143 WeakPolarHBondContact O-CG2 3.41Å; L139-V143 PolarHBondContact O-N 2.89Å; A140-V143 PolarHBondContact O-N 2.84Å; V143-G145 VanDerWaalsContact C-N 3.27Å; V143-G145 PolarHBondContact O-N 2.86Å; V143-R146 PolarHBondContact O-N 2.81Å; V143-R146 VanDerWaalsContact O-N 3.09Å; V143-F147 HydrophobicContact CG1-CD2 3.98Å; V143-F147 HydrophobicContact CG1-CE2 3.61Å; V143-F147 HydrophobicContact CG1-CZ 4.11Å; V143-F147 PolarHBondContact O-N 2.91Å; V143-I381 HydrophobicContact CG1-CB 4.24Å; V143-I381 HydrophobicContact CG1-CG2 4.09Å; V143-T414 HydrophobicContact CG2-CG2 4.03Å; V143-L418 HydrophobicContact CG1-CD2 4.39Å
144	L	97.9	Very high	96.2	Very high	19 Å²	19	59.8 Å²	59.8	10%	0.099	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-40.7	175.1	-177.8	68.4	0	0	0	111.7	A140 R148 T155 I381	A140-L144 WeakPolarHBondContact O-CB 3.43Å; A140-L144 PolarHBondContact O-N 3.09Å; L144-R148 WeakPolarHBondContact O-CB 3.13Å; L144-R148 VanDerWaalsContact O-CG 3.3Å; L144-R148 WeakPolarHBondContact O-CG 3.4Å; L144-R148 PolarHBondContact O-N 3Å; L144-T155 HydrophobicContact CD1-CG2 3.85Å; L144-I381 HydrophobicContact CB-CD1 4.36Å; L144-I381 HydrophobicContact CB-CG2 3.85Å; L144-I381 HydrophobicContact CD1-CG2 3.86Å; L144-I381 HydrophobicContact CG-CG2 4.47Å
145	G	97.4	Very high	96.3	Very high	29 Å²	29	56.4 Å²	56.4	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-33.7	175.3	0	0	0	0	0	113.8	S141 E142 V143 K149	S141-G145 PolarHBondContact O-N 2.93Å; E142-G145 PolarHBondContact O-N 3.05Å; V143-G145 VanDerWaalsContact C-N 3.27Å; V143-G145 PolarHBondContact O-N 2.86Å; G145-K149 WeakPolarHBondContact O-CG 3.34Å; G145-K149 PolarHBondContact O-N 2.93Å
146	R	96.5	Very high	96.4	Very high	77 Å²	77	59.1 Å²	59.1	29%	0.291	30%	0.295	S	S	.	.	H	α-helix	trans	-70	-51.3	172.3	-77.3	-177.3	174.4	-141.8	9.1	111.2	T120 E142 V143 R148 K149 L150 L418	T120-R146 PolarHBondContact OG1-NH1 3.16Å; T120-R146 PolarHBondContact OG1-NH2 2.84Å; E142-R146 WeakPolarHBondContact O-CG 3.49Å; E142-R146 PolarHBondContact O-N 2.93Å; V143-R146 PolarHBondContact O-N 2.81Å; V143-R146 VanDerWaalsContact O-N 3.09Å; R146-R148 VanDerWaalsContact C-N 3.32Å; R146-R148 PolarHBondContact O-N 3.41Å; R146-K149 WeakPolarHBondContact O-CB 3.26Å; R146-K149 PolarHBondContact O-N 2.9Å; R146-L150 PolarHBondContact O-N 2.96Å; R146-L418 HydrophobicContact CB-CD2 3.81Å
147	F	97.4	Very high	96.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.7	-41.9	178	-70.4	-33.5	0	0	0	112.7	V143 K149 L150 T155 I381 L417 L418 A421 F440	V143-F147 HydrophobicContact CG1-CD2 3.98Å; V143-F147 HydrophobicContact CG1-CE2 3.61Å; V143-F147 HydrophobicContact CG1-CZ 4.11Å; V143-F147 PolarHBondContact O-N 2.91Å; F147-K149 VanDerWaalsContact C-N 3.29Å; F147-K149 PolarHBondContact O-N 3.09Å; F147-L150 HydrophobicContact CD1-CD1 4.31Å; F147-L150 WeakPolarHBondContact O-CB 3.47Å; F147-L150 PolarHBondContact O-N 3.34Å; F147-T155 HydrophobicContact CB-CG2 3.66Å; F147-I381 HydrophobicContact CD2-CG2 3.84Å; F147-I381 HydrophobicContact CE2-CG2 4.06Å; F147-L417 HydrophobicContact CZ-CD2 4.12Å; F147-L417 HydrophobicContact CZ-CG 4.38Å; F147-L418 HydrophobicContact CD1-CD2 4.09Å; F147-L418 HydrophobicContact CE1-CD2 3.82Å; F147-L418 HydrophobicContact CZ-CD2 4.35Å; F147-A421 HydrophobicContact CD1-CB 4.16Å; F147-A421 HydrophobicContact CE1-CB 3.75Å; F147-F440 HydrophobicContact CE1-CB 4.26Å; F147-F440 HydrophobicContact CZ-CB 4.1Å
148	R	96.8	Very high	96.4	Very high	154 Å²	154	60.1 Å²	60.1	58%	0.581	30%	0.296	S	S	*	.	H	α-helix	trans	-60.5	-33.9	175.5	-75.6	174.4	175.2	166	-0.2	113.5	L144 R146 L150 Q151 T155	L144-R148 WeakPolarHBondContact O-CB 3.13Å; L144-R148 VanDerWaalsContact O-CG 3.3Å; L144-R148 WeakPolarHBondContact O-CG 3.4Å; L144-R148 PolarHBondContact O-N 3Å; R146-R148 VanDerWaalsContact C-N 3.32Å; R146-R148 PolarHBondContact O-N 3.41Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3Å; R148-Q151 PolarHBondContact O-N 3.48Å; R148-T155 HydrophobicContact CG-CG2 3.86Å
149	K	96.6	Very high	96.1	Very high	170 Å²	170	60.2 Å²	60.2	74%	0.739	30%	0.299	S	S	*	.	H	α-helix	trans	-69.6	-24.1	174.8	-72.4	169.8	179.9	-178.8	0	113.2	G145 R146 F147 Q151	G145-K149 WeakPolarHBondContact O-CG 3.34Å; G145-K149 PolarHBondContact O-N 2.93Å; R146-K149 WeakPolarHBondContact O-CB 3.26Å; R146-K149 PolarHBondContact O-N 2.9Å; F147-K149 VanDerWaalsContact C-N 3.29Å; F147-K149 PolarHBondContact O-N 3.09Å; K149-Q151 PolarHBondContact O-N 2.92Å
150	L	94.9	Very high	95.7	Very high	28 Å²	28	61 Å²	61	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-16	176.6	-60	-176.3	0	0	0	112.8	R146 F147 R148 M152 A421 R422 S425 K429	R146-L150 PolarHBondContact O-N 2.96Å; F147-L150 HydrophobicContact CD1-CD1 4.31Å; F147-L150 WeakPolarHBondContact O-CB 3.47Å; F147-L150 PolarHBondContact O-N 3.34Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3Å; L150-M152 HydrophobicContact CB-CG 3.69Å; L150-M152 HydrophobicContact CB-SD 4.08Å; L150-M152 HydrophobicContact CD1-CG 4.46Å; L150-M152 HydrophobicContact CD1-SD 4.31Å; L150-A421 HydrophobicContact CD1-CB 3.78Å; L150-R422 HydrophobicContact CD1-CB 4.48Å; L150-R422 HydrophobicContact CD2-CB 3.96Å; L150-R422 HydrophobicContact CD2-CG 3.93Å; L150-S425 PolarHBondContact O-OG 2.92Å; L150-K429 WeakPolarHBondContact O-CE 3.47Å; L150-K429 PolarHBondContact O-NZ 3.47Å
151	Q	89.1	Confident	95.2	Very high	150 Å²	150	63.5 Å²	63.5	70%	0.701	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	51.5	-176	-50	165.8	-53.1	0	0	111.7	R148 K149	R148-Q151 PolarHBondContact O-N 3.48Å; K149-Q151 PolarHBondContact O-N 2.92Å
152	M	93.1	Very high	94.7	Very high	15 Å²	15	60.1 Å²	60.1	7%	0.074	29%	0.292	C	S	.	.			trans	-77.3	154.6	173.9	-54	-82	-84.1	0	0	109	L150 H154 S383 L385 A421 S425 F440	L150-M152 HydrophobicContact CB-CG 3.69Å; L150-M152 HydrophobicContact CB-SD 4.08Å; L150-M152 HydrophobicContact CD1-CG 4.46Å; L150-M152 HydrophobicContact CD1-SD 4.31Å; M152-H154 VanDerWaalsContact C-N 3.3Å; M152-H154 PolarHBondContact O-N 2.7Å; M152-S383 WeakPolarHBondContact CB-OG 3.43Å; M152-S383 VanDerWaalsContact CG-OG 3.26Å; M152-S383 WeakPolarHBondContact CG-OG 3.25Å; M152-L385 HydrophobicContact CE-CD1 4.01Å; M152-L385 HydrophobicContact CE-CD2 4.28Å; M152-L385 HydrophobicContact CE-CG 3.7Å; M152-L385 HydrophobicContact SD-CD1 4.1Å; M152-L385 HydrophobicContact SD-CD2 3.67Å; M152-L385 HydrophobicContact SD-CG 3.77Å; M152-A421 HydrophobicContact CE-CB 4.41Å; M152-S425 VanDerWaalsContact SD-CB 3.56Å; M152-F440 HydrophobicContact CE-CD2 3.55Å; M152-F440 HydrophobicContact CE-CE2 3.6Å
153	D	95.9	Very high	94.2	Very high	89 Å²	89	59.1 Å²	59.1	48%	0.476	29%	0.288	S	S	.	.	S	Bend	trans	-58.9	-42.1	-172	-59.2	-65.5	0	0	0	112.3	S384 L385 E386	D153-S384 PolarHBondContact N-O 3.03Å; D153-S384 VanDerWaalsContact N-O 3.14Å; D153-L385 VanDerWaalsContact OD2-CA 3.31Å; D153-L385 WeakPolarHBondContact OD2-CA 3.26Å; D153-E386 HydrophobicContact CB-CB 4.44Å; D153-E386 PolarHBondContact OD2-N 2.93Å
154	H	96.9	Very high	94	Very high	109 Å²	109	58.9 Å²	58.9	51%	0.505	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.7	170.8	-50.7	-28	0	0	0	110.7	M152 W156 S383 S384	M152-H154 VanDerWaalsContact C-N 3.3Å; M152-H154 PolarHBondContact O-N 2.7Å; H154-W156 HydrophobicContact CB-CE3 4.03Å; H154-W156 HydrophobicContact CB-CZ3 3.87Å; H154-S383 WeakPolarHBondContact O-CA 3.48Å; H154-S384 WeakPolarHBondContact CB-OG 3.32Å; H154-S384 PolarHBondContact O-N 2.94Å
155	T	97.9	Very high	93.8	Very high	31 Å²	31	58.5 Å²	58.5	19%	0.19	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	117.3	173.8	-68.2	0	0	0	0	109.7	L144 F147 R148 F382 S383	L144-T155 HydrophobicContact CD1-CG2 3.85Å; F147-T155 HydrophobicContact CB-CG2 3.66Å; R148-T155 HydrophobicContact CG-CG2 3.86Å; T155-F382 CarbonylContact C-O 3.56Å; T155-F382 VanDerWaalsContact CA-O 3.31Å; T155-F382 WeakPolarHBondContact CA-O 3.15Å; T155-S383 PolarHBondContact OG1-OG 3.47Å
156	W	97.6	Very high	93.6	Very high	92 Å²	92	59.5 Å²	59.5	35%	0.348	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	169.9	-172.4	71.3	99.8	0	0	0	112.7	H154 F382 L439	H154-W156 HydrophobicContact CB-CE3 4.03Å; H154-W156 HydrophobicContact CB-CZ3 3.87Å; W156-F382 HydrophobicContact CD2-CB 3.56Å; W156-F382 HydrophobicContact CD2-CG 4.3Å; W156-F382 AromaticContact CE2-CD2 3.89Å; W156-F382 AromaticContact CE2-CG 3.6Å; W156-F382 HydrophobicContact CE3-CB 3.84Å; W156-F382 HydrophobicContact CG-CB 4.19Å; W156-F382 HydrophobicContact CH2-CB 3.77Å; W156-F382 HydrophobicContact CH2-CD1 4.35Å; W156-F382 HydrophobicContact CH2-CG 4.27Å; W156-F382 HydrophobicContact CZ2-CB 3.48Å; W156-F382 VanDerWaalsContact CZ2-CB 3.48Å; W156-F382 AromaticContact CZ2-CD1 3.8Å; W156-F382 HydrophobicContact CZ2-CD1 3.8Å; W156-F382 HydrophobicContact CZ2-CD2 4.24Å; W156-F382 AromaticContact CZ2-CG 3.59Å; W156-F382 HydrophobicContact CZ2-CG 3.59Å; W156-F382 HydrophobicContact CZ3-CB 3.93Å; W156-F382 PolarHBondContact N-O 3.4Å; W156-F382 AromaticContact NE1-CD2 3.52Å; W156-F382 AromaticContact NE1-CG 3.75Å; W156-F382 PolarHBondContact O-N 3.05Å; W156-L439 HydrophobicContact CH2-CD1 3.72Å; W156-L439 HydrophobicContact CZ2-CD1 4.45Å; W156-L439 HydrophobicContact CZ3-CD1 4.44Å
157	T	97.1	Very high	93.5	Very high	52 Å²	52	57.1 Å²	57.1	32%	0.319	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136	168	-61.6	0	0	0	0	107.4	N379 N380 I381	T157-N379 HydrophobicContact CG2-CB 4.15Å; T157-N380 WeakPolarHBondContact CA-O 3.41Å; T157-I381 HydrophobicContact CG2-CD1 3.79Å; T157-I381 VanDerWaalsContact OG1-CD1 3.28Å; T157-I381 WeakPolarHBondContact OG1-CD1 3.4Å
158	E	94.3	Very high	93.3	Very high	42 Å²	42	58.1 Å²	58.1	20%	0.196	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117	166.9	-157.3	174	119.1	0	0	107.2	N380 F382	E158-N380 HydrophobicContact CB-CB 4.38Å; E158-N380 PolarHBondContact N-O 3.18Å; E158-N380 PolarHBondContact O-N 3.03Å; E158-F382 HydrophobicContact CB-CD2 4.09Å; E158-F382 HydrophobicContact CB-CE2 3.66Å
159	S	91.9	Very high	92.9	Very high	66 Å²	66	62 Å²	62	46%	0.462	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.3	-177	-52.3	0	0	0	0	110.1	L378 N379	S159-L378 WeakPolarHBondContact CA-O 3.38Å; S159-N379 PolarHBondContact OG-OD1 3.34Å
160	L	88.4	Confident	92.7	Very high	22 Å²	22	58.5 Å²	58.5	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.1	-178.7	64.1	89.5	0	0	0	111.7	A162 L378 E455	L160-A162 HydrophobicContact CD1-CB 4.05Å; L160-L378 HydrophobicContact CD1-CB 3.95Å; L160-L378 HydrophobicContact CD1-CD1 3.82Å; L160-L378 HydrophobicContact CD1-CG 4.26Å; L160-L378 HydrophobicContact CG-CB 4.13Å; L160-L378 PolarHBondContact N-O 3.28Å; L160-L378 VanDerWaalsContact N-O 3.07Å; L160-L378 PolarHBondContact O-N 3.37Å; L160-E455 HydrophobicContact CD1-CB 4.43Å; L160-E455 HydrophobicContact CD1-CG 3.91Å; L160-E455 HydrophobicContact CD2-CB 3.66Å; L160-E455 HydrophobicContact CD2-CG 4.06Å
161	D	86.8	Confident	92.5	Very high	58 Å²	58	63.9 Å²	63.9	31%	0.31	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.7	176.9	-68.1	-39.2	0	0	0	108.8	S301 N303	D161-S301 VanDerWaalsContact O-CB 3.3Å; D161-S301 WeakPolarHBondContact O-CB 3.16Å; D161-S301 PolarHBondContact O-OG 3.35Å; D161-N303 PolarHBondContact OD2-ND2 2.65Å
162	A	87.6	Confident	92.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.9	177.1	0	0	0	0	0	112.5	L160 L164 D293 P375 V376 L378 V451	L160-A162 HydrophobicContact CD1-CB 4.05Å; A162-L164 HydrophobicContact CB-CD2 4.32Å; A162-L164 PolarHBondContact O-N 3.16Å; A162-D293 VanDerWaalsContact CA-OD2 3.3Å; A162-D293 WeakPolarHBondContact CA-OD2 2.96Å; A162-P375 WeakPolarHBondContact O-CA 3.36Å; A162-V376 PolarHBondContact N-O 3.47Å; A162-V376 PolarHBondContact O-N 3.27Å; A162-L378 HydrophobicContact CB-CD1 3.58Å; A162-L378 HydrophobicContact CB-CG 4.16Å; A162-V451 HydrophobicContact CB-CG1 4Å
163	M	87.1	Confident	92.8	Very high	31 Å²	31	60 Å²	60	15%	0.153	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	94.7	177.4	-73	-55.8	-56.7	0	0	111	Y198 D293 F295 L304 M373 P375	M163-Y198 PolarHBondContact O-OH 3.08Å; M163-D293 PolarHBondContact N-OD2 3.04Å; M163-F295 HydrophobicContact CB-CD2 3.78Å; M163-F295 HydrophobicContact CB-CE2 4.28Å; M163-L304 HydrophobicContact CG-CD1 3.58Å; M163-L304 HydrophobicContact CG-CD2 4.03Å; M163-L304 HydrophobicContact CG-CG 4.47Å; M163-L304 HydrophobicContact SD-CD1 3.37Å; M163-L304 WeakPolarHBondContact SD-CD1 3.43Å; M163-M373 HydrophobicContact CB-CE 3.95Å; M163-M373 HydrophobicContact CE-CB 3.65Å; M163-M373 HydrophobicContact CE-CE 4.36Å; M163-M373 VanDerWaalsContact O-CE 3.28Å; M163-M373 WeakPolarHBondContact O-CE 3.35Å; M163-P375 HydrophobicContact SD-CB 3.8Å
164	L	92.6	Very high	92.8	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	152.8	176.9	-55.8	-166.4	0	0	0	111.3	P131 A162 Y198 T374 V376 L378 A445 F448 V451	P131-L164 HydrophobicContact CB-CD1 3.61Å; P131-L164 HydrophobicContact CG-CD1 3.92Å; A162-L164 HydrophobicContact CB-CD2 4.32Å; A162-L164 PolarHBondContact O-N 3.16Å; L164-Y198 VanDerWaalsContact CD2-OH 3.24Å; L164-Y198 WeakPolarHBondContact CD2-OH 3.41Å; L164-T374 PolarHBondContact N-O 3.4Å; L164-T374 PolarHBondContact O-N 3.07Å; L164-V376 HydrophobicContact CB-CG2 4.09Å; L164-V376 HydrophobicContact CD1-CB 4.12Å; L164-V376 HydrophobicContact CD1-CG1 4.22Å; L164-V376 HydrophobicContact CD1-CG2 4.14Å; L164-V376 HydrophobicContact CG-CB 4.14Å; L164-V376 HydrophobicContact CG-CG2 4.14Å; L164-L378 HydrophobicContact CD1-CD2 4.17Å; L164-A445 HydrophobicContact CD1-CB 4.05Å; L164-A445 HydrophobicContact CD2-CB 4.35Å; L164-F448 HydrophobicContact CB-CD1 3.98Å; L164-F448 HydrophobicContact CB-CE1 3.86Å; L164-F448 HydrophobicContact CB-CZ 4.42Å; L164-F448 HydrophobicContact CD1-CD1 4.24Å; L164-F448 HydrophobicContact CD1-CD2 4.04Å; L164-F448 HydrophobicContact CD1-CE1 4.33Å; L164-F448 HydrophobicContact CD1-CE2 4.16Å; L164-F448 HydrophobicContact CD1-CG 4.09Å; L164-F448 HydrophobicContact CD1-CZ 4.3Å; L164-F448 HydrophobicContact CD2-CB 4Å; L164-F448 HydrophobicContact CD2-CD1 3.89Å; L164-F448 HydrophobicContact CD2-CG 3.91Å; L164-F448 HydrophobicContact CG-CD1 4.25Å; L164-F448 HydrophobicContact CG-CE1 4.5Å; L164-F448 HydrophobicContact CG-CG 4.44Å; L164-V451 HydrophobicContact CD2-CG2 4.24Å
165	Q	93.8	Very high	92.8	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.056	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.6	179.9	-164.1	-169.5	73.3	0	0	111.5	Y195 Y198 S199 N371 L372 M373 F448	Q165-Y195 VanDerWaalsContact O-CE2 3.32Å; Q165-Y195 WeakPolarHBondContact O-CE2 3.49Å; Q165-Y198 HydrophobicContact CB-CD1 3.94Å; Q165-Y198 HydrophobicContact CB-CE1 4.23Å; Q165-Y198 VanDerWaalsContact OE1-CA 3.32Å; Q165-S199 PolarHBondContact NE2-O 3.01Å; Q165-S199 VanDerWaalsContact OE1-N 3.14Å; Q165-S199 PolarHBondContact OE1-O 3.35Å; Q165-N371 VanDerWaalsContact CD-CB 3.4Å; Q165-N371 HydrophobicContact CG-CB 3.62Å; Q165-N371 PolarHBondContact OE1-ND2 2.99Å; Q165-L372 WeakPolarHBondContact CA-O 3.33Å; Q165-M373 HydrophobicContact CB-CE 4.17Å; Q165-M373 HydrophobicContact CB-SD 3.62Å; Q165-M373 HydrophobicContact CG-SD 3.64Å; Q165-F448 WeakPolarHBondContact O-CE1 3.26Å
166	V	93.9	Very high	92.7	Very high	49 Å²	49	51.2 Å²	51.2	30%	0.297	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.8	179.5	-64	0	0	0	0	111.3	N371 L372 T374	V166-N371 CarbonylContact O-C 3.55Å; V166-N371 WeakPolarHBondContact O-CA 3.46Å; V166-L372 HydrophobicContact CG2-CB 4.48Å; V166-L372 PolarHBondContact N-O 2.93Å; V166-L372 PolarHBondContact O-N 3.01Å; V166-T374 WeakPolarHBondContact CG2-OG1 3.12Å
167	P	93.4	Very high	92.5	Very high	28 Å²	28	46.9 Å²	46.9	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	141.3	179	27.5	-34.4	0	0	0	111.8	R169 Y195	P167-R169 PolarHBondContact O-N 3.28Å; P167-Y195 HydrophobicContact CB-CD1 4.41Å; P167-Y195 HydrophobicContact CB-CG 4.24Å; P167-Y195 HydrophobicContact CG-CD1 3.85Å; P167-Y195 HydrophobicContact CG-CE1 4.16Å; P167-Y195 HydrophobicContact CG-CG 4.13Å
168	D	92.9	Very high	92.4	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.112	23%	0.232	C	C	.	.			trans	-71.6	124	175.1	-166.5	-37.1	0	0	0	110.6	S170 F171 P172 Q370 L372	D168-S170 WeakPolarHBondContact OD1-CA 3.45Å; D168-S170 WeakPolarHBondContact OD1-CB 3.46Å; D168-S170 PolarHBondContact OD1-N 3.47Å; D168-F171 PolarHBondContact OD1-N 3.36Å; D168-P172 WeakPolarHBondContact O-CA 3.3Å; D168-Q370 HydrophobicContact CB-CB 4.28Å; D168-Q370 WeakPolarHBondContact CB-O 3.47Å; D168-Q370 PolarHBondContact N-O 2.84Å; D168-L372 HydrophobicContact CB-CD1 4.13Å; D168-L372 HydrophobicContact CB-CG 3.96Å
169	R	89.1	Confident	92.2	Very high	235 Å²	235	43.7 Å²	43.7	89%	0.887	23%	0.23	S	C	*	.	S	Bend	trans	-87.2	-18.3	178.9	-66.8	-174.4	176.4	-170.7	-1.2	113.9	P167	P167-R169 PolarHBondContact O-N 3.28Å
170	S	92	Very high	91.9	Very high	96 Å²	96	44.6 Å²	44.6	67%	0.671	24%	0.236	S	C	*	.	S	Bend	trans	-87.7	-34.2	174.2	-68.8	0	0	0	0	111.6	D168	D168-S170 WeakPolarHBondContact OD1-CA 3.45Å; D168-S170 WeakPolarHBondContact OD1-CB 3.46Å; D168-S170 PolarHBondContact OD1-N 3.47Å
171	F	91	Very high	91.8	Very high	142 Å²	142	47 Å²	47	62%	0.623	26%	0.26	S	S	*	.	S	Bend	trans	-127.3	70.5	179.9	-58.9	-74.7	0	0	0	111.1	D168 Q370	D168-F171 PolarHBondContact OD1-N 3.36Å; F171-Q370 WeakPolarHBondContact O-CB 3.24Å; F171-Q370 WeakPolarHBondContact O-CG 3.49Å
172	P	92.9	Very high	91.7	Very high	61 Å²	61	45.2 Å²	45.2	40%	0.396	26%	0.255	S	S	.	.			trans	-63.2	144.8	-173.7	26.3	-35.7	0	0	0	113.3	D168 P192	D168-P172 WeakPolarHBondContact O-CA 3.3Å; P172-P192 HydrophobicContact CB-CB 4.22Å
173	S	95.3	Very high	91.8	Very high	21 Å²	21	53.5 Å²	53.5	15%	0.147	29%	0.286	C	S	.	.			trans	-51.6	139.2	172	-64.9	0	0	0	0	111.9	S368 V369 Q370	S173-S368 CarbonylContact C-O 3.59Å; S173-S368 VanDerWaalsContact CA-O 3.24Å; S173-S368 WeakPolarHBondContact CA-O 3.36Å; S173-S368 WeakPolarHBondContact CB-O 3.31Å; S173-V369 WeakPolarHBondContact OG-CA 3.46Å; S173-Q370 PolarHBondContact OG-N 3.35Å
174	S	95.9	Very high	92	Very high	20 Å²	20	55.7 Å²	55.7	14%	0.14	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.4	-172.6	85.7	0	0	0	0	113.7	H176 S368	S174-H176 WeakPolarHBondContact CB-NE2 3.47Å; S174-H176 PolarHBondContact OG-CD2 3.2Å; S174-H176 VanDerWaalsContact OG-CD2 3.26Å; S174-H176 PolarHBondContact OG-NE2 3.19Å; S174-S368 PolarHBondContact N-O 2.95Å; S174-S368 PolarHBondContact O-N 3.47Å
175	L	96.8	Very high	91.8	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125	178.4	-167.8	72	0	0	0	109.5	I188 L190 L260 V327 L331 V365 R366 L367	L175-I188 HydrophobicContact CB-CB 4.36Å; L175-I188 HydrophobicContact CD2-CB 4.32Å; L175-I188 HydrophobicContact CD2-CD1 3.98Å; L175-I188 HydrophobicContact CD2-CG2 4.29Å; L175-I188 HydrophobicContact CG-CB 4.5Å; L175-I188 HydrophobicContact CG-CD1 4.29Å; L175-I188 PolarHBondContact O-N 2.99Å; L175-L190 HydrophobicContact CB-CD1 3.95Å; L175-L190 HydrophobicContact CB-CD2 4.46Å; L175-L190 HydrophobicContact CB-CG 4.36Å; L175-L260 HydrophobicContact CD1-CD1 4.45Å; L175-L260 HydrophobicContact CD1-CD2 4.45Å; L175-V327 HydrophobicContact CD2-CG1 3.95Å; L175-L331 HydrophobicContact CD2-CD1 4.25Å; L175-V365 HydrophobicContact CD1-CG1 3.46Å; L175-V365 VanDerWaalsContact CD1-CG1 3.46Å; L175-V365 HydrophobicContact CG-CG1 4.11Å; L175-R366 WeakPolarHBondContact CA-O 3.43Å; L175-L367 HydrophobicContact CD1-CB 4.13Å; L175-L367 HydrophobicContact CD1-CD1 4.02Å
176	H	95.8	Very high	91.8	Very high	26 Å²	26	64.6 Å²	64.6	12%	0.12	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.1	-176.4	-57.1	-97.5	0	0	0	111.3	S174 V178 V184 E186 V365 R366	S174-H176 WeakPolarHBondContact CB-NE2 3.47Å; S174-H176 PolarHBondContact OG-CD2 3.2Å; S174-H176 VanDerWaalsContact OG-CD2 3.26Å; S174-H176 PolarHBondContact OG-NE2 3.19Å; H176-V178 HydrophobicContact CB-CG1 4.38Å; H176-V184 HydrophobicContact CB-CG1 4.27Å; H176-V184 HydrophobicContact CB-CG2 4.47Å; H176-E186 CarbonylContact C-O 3.04Å; H176-E186 WeakPolarHBondContact CA-O 3.42Å; H176-V365 CarbonylContact O-C 3.59Å; H176-V365 WeakPolarHBondContact O-CA 3.34Å; H176-R366 HydrophobicContact CB-CB 4.36Å; H176-R366 PolarHBondContact N-O 3.04Å; H176-R366 PolarHBondContact O-N 2.68Å
177	L	94.4	Very high	91.8	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.2	160.4	-74	163.9	0	0	0	108.3	F185 E186 I188 F359 V365	L177-F185 PolarHBondContact O-N 3.37Å; L177-E186 HydrophobicContact CB-CB 4.38Å; L177-E186 PolarHBondContact N-O 3.42Å; L177-E186 PolarHBondContact O-N 3.12Å; L177-E186 VanDerWaalsContact O-N 3.16Å; L177-I188 HydrophobicContact CD1-CD1 4.27Å; L177-I188 HydrophobicContact CG-CD1 4.14Å; L177-F359 HydrophobicContact CD2-CE1 4.32Å; L177-V365 HydrophobicContact CD2-CG2 3.77Å
178	V	94.3	Very high	91.8	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150	179.9	-56.9	0	0	0	0	111.1	H176 R183 V184 T205 R363 R364 R366	H176-V178 HydrophobicContact CB-CG1 4.38Å; V178-R183 CarbonylContact C-O 3.4Å; V178-R183 WeakPolarHBondContact CA-O 3.35Å; V178-R183 WeakPolarHBondContact CB-O 3.28Å; V178-V184 HydrophobicContact CG1-CG2 4.44Å; V178-T205 HydrophobicContact CG2-CG2 3.87Å; V178-R363 CarbonylContact O-C 3.54Å; V178-R363 VanDerWaalsContact O-CA 3.28Å; V178-R363 WeakPolarHBondContact O-CA 3.46Å; V178-R363 WeakPolarHBondContact O-CB 3.37Å; V178-R364 HydrophobicContact CG2-CB 3.79Å; V178-R364 WeakPolarHBondContact CG2-O 3.37Å; V178-R364 PolarHBondContact N-O 2.89Å; V178-R364 PolarHBondContact O-N 3.01Å; V178-R366 HydrophobicContact CG1-CB 4Å
179	D	90.4	Very high	91.8	Very high	28 Å²	28	70.3 Å²	70.3	15%	0.15	37%	0.369	C	S	.	.			trans	-74.2	176.3	173.1	75.6	-0.9	0	0	0	112.2	A181 G182 R183	D179-A181 PolarHBondContact O-N 3.14Å; D179-A181 VanDerWaalsContact OD1-C 3.25Å; D179-A181 WeakPolarHBondContact OD1-CA 3.38Å; D179-A181 WeakPolarHBondContact OD1-CB 3.28Å; D179-A181 PolarHBondContact OD1-N 3.15Å; D179-A181 VanDerWaalsContact OD1-N 3.11Å; D179-G182 PolarHBondContact O-N 2.92Å; D179-G182 PolarHBondContact OD1-N 3.43Å; D179-R183 PolarHBondContact N-O 3.41Å; D179-R183 WeakPolarHBondContact OD1-CB 3.48Å; D179-R183 PolarHBondContact OD1-N 3.38Å; D179-R183 IonicContact OD1-NE 2.71Å; D179-R183 IonicContact OD2-CZ 3.31Å; D179-R183 IonicContact OD2-NE 3.47Å; D179-R183 PolarHBondContact OD2-NE 2.86Å; D179-R183 IonicContact OD2-NH2 1.86Å; D179-R183 PolarHBondContact OD2-NH2 3.34Å
180	S	85.4	Confident	92.1	Very high	84 Å²	84	61.4 Å²	61.4	59%	0.587	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.1	177.6	51.7	0	0	0	0	112.3	G182 R364	S180-G182 VanDerWaalsContact C-N 3.25Å; S180-G182 PolarHBondContact O-N 2.92Å; S180-R364 PolarHBondContact O-NH2 2.74Å
181	A	86	Confident	92.1	Very high	74 Å²	74	60.1 Å²	60.1	61%	0.612	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	0.9	174.7	0	0	0	0	0	114.4	D179 R183	D179-A181 PolarHBondContact O-N 3.14Å; D179-A181 VanDerWaalsContact OD1-C 3.25Å; D179-A181 WeakPolarHBondContact OD1-CA 3.38Å; D179-A181 WeakPolarHBondContact OD1-CB 3.28Å; D179-A181 PolarHBondContact OD1-N 3.15Å; D179-A181 VanDerWaalsContact OD1-N 3.11Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 3.19Å
182	G	84.9	Confident	92	Very high	20 Å²	20	57.2 Å²	57.2	21%	0.206	32%	0.32	C	S	.	.	S	Bend	trans	79.2	8.7	176.6	0	0	0	0	0	115.4	D179 S180 R366	D179-G182 PolarHBondContact O-N 2.92Å; D179-G182 PolarHBondContact OD1-N 3.43Å; S180-G182 VanDerWaalsContact C-N 3.25Å; S180-G182 PolarHBondContact O-N 2.92Å; G182-R366 PolarHBondContact O-NH2 3.45Å
183	R	89.9	Confident	91.9	Very high	174 Å²	174	58 Å²	58	66%	0.657	33%	0.327	S	S	*	.			trans	-75.6	143.9	173.4	-59.3	178	-64.5	-168.9	0.5	109.5	V178 D179 A181 F185	V178-R183 CarbonylContact C-O 3.4Å; V178-R183 WeakPolarHBondContact CA-O 3.35Å; V178-R183 WeakPolarHBondContact CB-O 3.28Å; D179-R183 PolarHBondContact N-O 3.41Å; D179-R183 WeakPolarHBondContact OD1-CB 3.48Å; D179-R183 PolarHBondContact OD1-N 3.38Å; D179-R183 IonicContact OD1-NE 2.71Å; D179-R183 IonicContact OD2-CZ 3.31Å; D179-R183 IonicContact OD2-NE 3.47Å; D179-R183 PolarHBondContact OD2-NE 2.86Å; D179-R183 IonicContact OD2-NH2 1.86Å; D179-R183 PolarHBondContact OD2-NH2 3.34Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 3.19Å; R183-F185 PolarHBondContact O-N 2.7Å
184	V	91.6	Very high	91.8	Very high	76 Å²	76	58 Å²	58	46%	0.461	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	119.1	176.5	178.6	0	0	0	0	109	H176 V178	H176-V184 HydrophobicContact CB-CG1 4.27Å; H176-V184 HydrophobicContact CB-CG2 4.47Å; V178-V184 HydrophobicContact CG1-CG2 4.44Å
185	F	89.2	Confident	91.9	Very high	135 Å²	135	57.8 Å²	57.8	59%	0.592	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42.1	171.5	176.1	-94.7	0	0	0	110.4	L177 R183	L177-F185 PolarHBondContact O-N 3.37Å; R183-F185 PolarHBondContact O-N 2.7Å
186	E	92.8	Very high	91.9	Very high	66 Å²	66	57.8 Å²	57.8	31%	0.308	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	143.1	179.1	-173.3	179.8	-143.7	0	0	110.7	H176 L177 K330	H176-E186 CarbonylContact C-O 3.04Å; H176-E186 WeakPolarHBondContact CA-O 3.42Å; L177-E186 HydrophobicContact CB-CB 4.38Å; L177-E186 PolarHBondContact N-O 3.42Å; L177-E186 PolarHBondContact O-N 3.12Å; L177-E186 VanDerWaalsContact O-N 3.16Å; E186-K330 IonicContact OE1-NZ 3.87Å; E186-K330 PolarHBondContact OE1-NZ 2.95Å; E186-K330 WeakPolarHBondContact OE2-CE 3.44Å; E186-K330 IonicContact OE2-NZ 2.72Å; E186-K330 PolarHBondContact OE2-NZ 2.76Å
187	Q	93.3	Very high	91.9	Very high	120 Å²	120	56.5 Å²	56.5	56%	0.561	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.9	163.4	-178.2	169.2	-10.3	0	0	109.5
188	I	94.5	Very high	92	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.1	173	-63.8	176.2	0	0	0	107.6	L175 L177 V327 L331	L175-I188 HydrophobicContact CB-CB 4.36Å; L175-I188 HydrophobicContact CD2-CB 4.32Å; L175-I188 HydrophobicContact CD2-CD1 3.98Å; L175-I188 HydrophobicContact CD2-CG2 4.29Å; L175-I188 HydrophobicContact CG-CB 4.5Å; L175-I188 HydrophobicContact CG-CD1 4.29Å; L175-I188 PolarHBondContact O-N 2.99Å; L177-I188 HydrophobicContact CD1-CD1 4.27Å; L177-I188 HydrophobicContact CG-CD1 4.14Å; I188-V327 HydrophobicContact CG2-CB 4.37Å; I188-V327 HydrophobicContact CG2-CG1 3.86Å; I188-V327 HydrophobicContact CG2-CG2 3.76Å; I188-L331 HydrophobicContact CD1-CD2 3.58Å; I188-L331 HydrophobicContact CD1-CG 4.23Å
189	P	93.2	Very high	92.1	Very high	97 Å²	97	56.8 Å²	56.8	63%	0.63	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-68.8	135.6	177.8	28.2	-34	0	0	0	110.8
190	L	93.5	Very high	92.4	Very high	47 Å²	47	56.5 Å²	56.5	25%	0.246	32%	0.318	C	S	.	.			trans	-126.2	159.4	174.7	-61.3	174.8	0	0	0	108.9	L175 L321 I323 V327	L175-L190 HydrophobicContact CB-CD1 3.95Å; L175-L190 HydrophobicContact CB-CD2 4.46Å; L175-L190 HydrophobicContact CB-CG 4.36Å; L190-L321 HydrophobicContact CD1-CD2 3.7Å; L190-L321 HydrophobicContact CD2-CD2 4.27Å; L190-I323 HydrophobicContact CD2-CG2 4.42Å; L190-V327 HydrophobicContact CD2-CG2 4.39Å
191	N	92.3	Very high	92.9	Very high	69 Å²	69	55.9 Å²	55.9	37%	0.369	31%	0.311	S	S	.	.			trans	-83.8	124.2	164.6	176.3	22.6	0	0	0	108.9	S193 D194	N191-S193 PolarHBondContact O-N 2.9Å; N191-S193 PolarHBondContact OD1-N 2.65Å; N191-D194 HydrophobicContact CB-CB 4.29Å; N191-D194 PolarHBondContact ND2-OD1 3.47Å; N191-D194 PolarHBondContact O-N 3.33Å
192	P	90.3	Very high	93.3	Very high	81 Å²	81	53.5 Å²	53.5	53%	0.526	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.5	177.8	-26	36.2	0	0	0	115.1	P172	P172-P192 HydrophobicContact CB-CB 4.22Å
193	S	90.5	Very high	93.8	Very high	78 Å²	78	58.1 Å²	58.1	55%	0.545	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-6.7	175.5	-51.3	0	0	0	0	114.4	N191	N191-S193 PolarHBondContact O-N 2.9Å; N191-S193 PolarHBondContact OD1-N 2.65Å
194	D	93.9	Very high	94.1	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.107	29%	0.294	C	S	.	.			trans	-87.8	111	-179.8	-69.1	3.9	0	0	0	109.6	N191 A282 P322	N191-D194 HydrophobicContact CB-CB 4.29Å; N191-D194 PolarHBondContact ND2-OD1 3.47Å; N191-D194 PolarHBondContact O-N 3.33Å; D194-A282 HydrophobicContact CB-CB 4.27Å; D194-A282 VanDerWaalsContact OD2-CB 3.25Å; D194-A282 WeakPolarHBondContact OD2-CB 3.2Å; D194-P322 HydrophobicContact CB-CG 4.31Å
195	Y	96.3	Very high	94.3	Very high	16 Å²	16	51.1 Å²	51.1	6%	0.063	29%	0.285	C	S	.	.			trans	-150.9	160.2	-177.7	78.5	-69.5	0	0	0	112.4	Q165 P167 P197 S284 L403	Q165-Y195 VanDerWaalsContact O-CE2 3.32Å; Q165-Y195 WeakPolarHBondContact O-CE2 3.49Å; P167-Y195 HydrophobicContact CB-CD1 4.41Å; P167-Y195 HydrophobicContact CB-CG 4.24Å; P167-Y195 HydrophobicContact CG-CD1 3.85Å; P167-Y195 HydrophobicContact CG-CE1 4.16Å; P167-Y195 HydrophobicContact CG-CG 4.13Å; Y195-P197 HydrophobicContact CD2-CG 4.33Å; Y195-P197 HydrophobicContact CE2-CB 4.14Å; Y195-P197 HydrophobicContact CE2-CG 3.63Å; Y195-S284 WeakPolarHBondContact O-CB 3.32Å; Y195-S284 PolarHBondContact O-OG 2.9Å; Y195-L403 HydrophobicContact CE1-CD2 4.4Å; Y195-L403 VanDerWaalsContact OH-CD2 3.28Å; Y195-L403 WeakPolarHBondContact OH-CD2 3.41Å
196	C	97	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.26	C	S	.	.			trans	-101.6	114.3	168.4	-69.7	0	0	0	0	109.3	Y198 S199 V287 P322 N371	C196-Y198 PolarHBondContact O-N 2.97Å; C196-S199 WeakPolarHBondContact O-CB 3.24Å; C196-S199 PolarHBondContact O-N 3.41Å; C196-S199 VanDerWaalsContact O-N 3.13Å; C196-V287 HydrophobicContact CB-CB 4.47Å; C196-V287 HydrophobicContact CB-CG1 3.68Å; C196-V287 HydrophobicContact CB-CG2 3.96Å; C196-P322 VanDerWaalsContact SG-CD 3.53Å; C196-N371 PolarHBondContact O-ND2 3.3Å
197	P	96.3	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	133.1	170.9	-26	31.1	0	0	0	112.2	Y195 S199 E285 H286 V287 L403 F448	Y195-P197 HydrophobicContact CD2-CG 4.33Å; Y195-P197 HydrophobicContact CE2-CB 4.14Å; Y195-P197 HydrophobicContact CE2-CG 3.63Å; P197-S199 VanDerWaalsContact C-N 3.33Å; P197-E285 WeakPolarHBondContact CD-O 3.45Å; P197-H286 HydrophobicContact CB-CB 3.99Å; P197-H286 HydrophobicContact CG-CB 4.46Å; P197-H286 WeakPolarHBondContact O-CA 3.16Å; P197-V287 WeakPolarHBondContact O-CG2 3.43Å; P197-V287 PolarHBondContact O-N 3.17Å; P197-L403 HydrophobicContact CG-CD1 4.18Å; P197-F448 HydrophobicContact CB-CD1 3.9Å; P197-F448 HydrophobicContact CB-CE1 3.82Å; P197-F448 HydrophobicContact CG-CE1 4.2Å; P197-F448 HydrophobicContact CG-CZ 4.47Å
198	Y	96	Very high	94.8	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.012	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	22.7	-175.6	-49	-64.2	0	0	0	115.9	M163 L164 Q165 C196 H286 V287 H288 P294 L315 P316 M373 F448	M163-Y198 PolarHBondContact O-OH 3.08Å; L164-Y198 VanDerWaalsContact CD2-OH 3.24Å; L164-Y198 WeakPolarHBondContact CD2-OH 3.41Å; Q165-Y198 HydrophobicContact CB-CD1 3.94Å; Q165-Y198 HydrophobicContact CB-CE1 4.23Å; Q165-Y198 VanDerWaalsContact OE1-CA 3.32Å; C196-Y198 PolarHBondContact O-N 2.97Å; Y198-H286 HydrophobicContact CD2-CB 4.41Å; Y198-V287 VanDerWaalsContact C-CG2 3.49Å; Y198-H288 HydrophobicContact CD2-CB 3.75Å; Y198-H288 HydrophobicContact CG-CB 4.18Å; Y198-P294 HydrophobicContact CD1-CG 3.63Å; Y198-P294 HydrophobicContact CD2-CG 4.38Å; Y198-P294 HydrophobicContact CE1-CG 3.33Å; Y198-P294 HydrophobicContact CE2-CG 4.12Å; Y198-P294 HydrophobicContact CG-CG 4.14Å; Y198-L315 HydrophobicContact CD1-CD2 4.35Å; Y198-L315 HydrophobicContact CG-CD2 4.25Å; Y198-P316 VanDerWaalsContact O-CD 3.32Å; Y198-P316 WeakPolarHBondContact O-CD 3.47Å; Y198-P316 VanDerWaalsContact O-CG 3.31Å; Y198-P316 WeakPolarHBondContact O-CG 3.25Å; Y198-M373 HydrophobicContact CE1-CE 4.19Å; Y198-F448 HydrophobicContact CE2-CB 3.94Å; Y198-F448 AromaticContact CE2-CD1 3.89Å; Y198-F448 HydrophobicContact CE2-CD1 3.89Å; Y198-F448 HydrophobicContact CE2-CG 4.43Å; Y198-F448 WeakPolarHBondContact CE2-O 3.39Å; Y198-F448 AromaticContact CZ-CD1 3.92Å
199	S	97.1	Very high	95	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-60.7	146.9	163.1	175.5	0	0	0	0	110.6	Q165 C196 P197 T201 V287 A320	Q165-S199 PolarHBondContact NE2-O 3.01Å; Q165-S199 VanDerWaalsContact OE1-N 3.14Å; Q165-S199 PolarHBondContact OE1-O 3.35Å; C196-S199 WeakPolarHBondContact O-CB 3.24Å; C196-S199 PolarHBondContact O-N 3.41Å; C196-S199 VanDerWaalsContact O-N 3.13Å; P197-S199 VanDerWaalsContact C-N 3.33Å; S199-T201 PolarHBondContact O-N 3.05Å; S199-V287 VanDerWaalsContact N-CG2 3.32Å; S199-A320 WeakPolarHBondContact CB-O 3.47Å; S199-A320 PolarHBondContact OG-N 3.37Å; S199-A320 PolarHBondContact OG-O 3.32Å
200	A	96.6	Very high	95.2	Very high	22 Å²	22	32.2 Å²	32.2	18%	0.182	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-59.5	135.5	162.2	0	0	0	0	0	110
201	T	95.1	Very high	95.4	Very high	71 Å²	71	30 Å²	30	44%	0.436	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-85.3	129.9	170.1	-73.1	0	0	0	0	108.5	S199 V369 N371	S199-T201 PolarHBondContact O-N 3.05Å; T201-V369 CarbonylContact C-O 3.45Å; T201-V369 WeakPolarHBondContact CA-O 3.47Å; T201-N371 PolarHBondContact OG1-N 3.4Å; T201-N371 VanDerWaalsContact OG1-N 3.16Å; T201-N371 PolarHBondContact OG1-O 3.41Å
202	G	94.8	Very high	95.6	Very high	25 Å²	25	27.4 Å²	27.4	26%	0.258	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	177.3	-177.9	0	0	0	0	0	115.3	V369	G202-V369 PolarHBondContact N-O 3.29Å; G202-V369 PolarHBondContact O-N 2.9Å
203	N	95.2	Very high	96	Very high	116 Å²	116	25 Å²	25	62%	0.62	15%	0.149	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.6	-175.9	-67.5	-26.9	0	0	0	111.1	L367 S368	N203-L367 CarbonylContact C-O 3.16Å; N203-L367 WeakPolarHBondContact CA-O 3.38Å; N203-S368 WeakPolarHBondContact OD1-CA 3.38Å; N203-S368 WeakPolarHBondContact OD1-CB 3.29Å; N203-S368 PolarHBondContact OD1-OG 3.41Å; N203-S368 VanDerWaalsContact OD1-OG 3.09Å
204	Y	96.5	Very high	96.3	Very high	59 Å²	59	21.3 Å²	21.3	23%	0.231	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.5	172.1	-167.4	-100.2	0	0	0	111.4	G231 L233 G257 R366 L367	Y204-G231 WeakPolarHBondContact OH-CA 3.22Å; Y204-G231 PolarHBondContact OH-O 3.33Å; Y204-G231 VanDerWaalsContact OH-O 3.04Å; Y204-L233 HydrophobicContact CD1-CD2 3.55Å; Y204-L233 HydrophobicContact CD1-CG 3.81Å; Y204-L233 HydrophobicContact CE1-CD2 4.26Å; Y204-L233 HydrophobicContact CE1-CG 4.25Å; Y204-L233 HydrophobicContact CG-CD2 4.32Å; Y204-G257 VanDerWaalsContact CD2-O 3.31Å; Y204-G257 WeakPolarHBondContact CD2-O 3.47Å; Y204-R366 CarbonylContact O-C 3.5Å; Y204-R366 VanDerWaalsContact O-CA 3.28Å; Y204-R366 WeakPolarHBondContact O-CA 3.39Å; Y204-L367 PolarHBondContact N-O 3.12Å; Y204-L367 PolarHBondContact O-N 3.5Å
205	T	95.9	Very high	96.3	Very high	45 Å²	45	23.4 Å²	23.4	28%	0.276	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	118	173.7	-61	0	0	0	0	111.2	V178 R364 V365 R366	V178-T205 HydrophobicContact CG2-CG2 3.87Å; T205-R364 HydrophobicContact CG2-CB 4.19Å; T205-V365 VanDerWaalsContact CA-O 3.3Å; T205-V365 WeakPolarHBondContact CA-O 3.41Å; T205-R366 HydrophobicContact CG2-CB 4.34Å; T205-R366 WeakPolarHBondContact OG1-CB 3.5Å; T205-R366 WeakPolarHBondContact OG1-CG 3.48Å; T205-R366 PolarHBondContact OG1-NE 2.89Å
206	G	94.4	Very high	96.1	Very high	6 Å²	6	25.5 Å²	25.5	6%	0.062	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	-175.4	-177.1	0	0	0	0	0	113.9	R364 V365	G206-R364 WeakPolarHBondContact O-CA 3.5Å; G206-R364 WeakPolarHBondContact O-CB 3.3Å; G206-V365 PolarHBondContact N-O 3.42Å; G206-V365 PolarHBondContact O-N 2.93Å
207	G	95.5	Very high	95.9	Very high	10 Å²	10	30.2 Å²	30.2	10%	0.103	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	179.9	164	0	0	0	0	0	111.8	L233 P357	G207-L233 PolarHBondContact O-N 2.79Å; G207-P357 WeakPolarHBondContact CA-O 3.48Å
208	V	96.8	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.5	-178.1	161	0	0	0	0	110.8	L233 V235 L332 L335 G356 P357 F359 V365	V208-L233 CarbonylContact C-O 3.49Å; V208-L233 WeakPolarHBondContact CA-O 3.45Å; V208-L233 HydrophobicContact CG2-CB 4.09Å; V208-V235 HydrophobicContact CG1-CB 4.34Å; V208-V235 HydrophobicContact CG1-CG2 3.52Å; V208-L332 HydrophobicContact CG1-CD2 4.42Å; V208-L335 HydrophobicContact CB-CD1 4.08Å; V208-L335 HydrophobicContact CG1-CD1 4.25Å; V208-L335 HydrophobicContact CG1-CD2 4.37Å; V208-L335 VanDerWaalsContact O-CD1 3.22Å; V208-L335 WeakPolarHBondContact O-CD1 3.4Å; V208-G356 WeakPolarHBondContact O-CA 3.34Å; V208-P357 PolarHBondContact N-O 3.04Å; V208-P357 WeakPolarHBondContact O-CA 3.3Å; V208-F359 HydrophobicContact CB-CE2 3.78Å; V208-F359 HydrophobicContact CB-CZ 3.74Å; V208-F359 HydrophobicContact CG2-CE2 3.8Å; V208-F359 HydrophobicContact CG2-CZ 3.7Å; V208-V365 HydrophobicContact CG2-CB 4.18Å; V208-V365 HydrophobicContact CG2-CG2 3.88Å
209	V	97.6	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127	174.1	173	0	0	0	0	109.8	L222 V227 H232 L233 V234 V235 L355 P357	V209-L222 HydrophobicContact CG1-CD1 3.84Å; V209-L222 HydrophobicContact CG1-CD2 4.4Å; V209-V227 HydrophobicContact CG1-CG1 3.88Å; V209-V227 HydrophobicContact CG2-CG1 4.21Å; V209-H232 HydrophobicContact CB-CB 4.43Å; V209-H232 HydrophobicContact CG2-CB 3.74Å; V209-L233 PolarHBondContact N-O 2.87Å; V209-V234 WeakPolarHBondContact O-CA 3.3Å; V209-V235 PolarHBondContact O-N 3.2Å; V209-L355 CarbonylContact C-O 3.56Å; V209-L355 VanDerWaalsContact CA-O 3.3Å; V209-L355 WeakPolarHBondContact CA-O 3.34Å; V209-P357 HydrophobicContact CG2-CB 4Å
210	Y	97.9	Very high	95.6	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.1	171.8	173.4	-122.1	0	0	0	110.1	V235 R237 Y262 L332 W344 L355	Y210-V235 HydrophobicContact CD2-CG1 4.49Å; Y210-R237 HydrophobicContact CE2-CG 4.42Å; Y210-R237 VanDerWaalsContact OH-CD 3.27Å; Y210-R237 WeakPolarHBondContact OH-CD 3.33Å; Y210-Y262 HydrophobicContact CE2-CE1 4.39Å; Y210-L332 HydrophobicContact CD2-CD1 4.33Å; Y210-W344 HydrophobicContact CD1-CE3 4.35Å; Y210-W344 HydrophobicContact CE1-CB 4.25Å; Y210-W344 HydrophobicContact CE1-CE3 4.19Å; Y210-W344 PolarHBondContact OH-O 3.37Å; Y210-L355 PolarHBondContact N-O 2.98Å
211	A	97.4	Very high	95.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.			trans	-114.9	29.4	-174.5	0	0	0	0	0	113.4	Y213 G214 F219 L222 V234 V235 M236	A211-Y213 PolarHBondContact O-N 2.97Å; A211-Y213 VanDerWaalsContact O-N 3.14Å; A211-G214 WeakPolarHBondContact O-CA 3.43Å; A211-G214 PolarHBondContact O-N 3.39Å; A211-F219 HydrophobicContact CB-CE1 4.02Å; A211-F219 HydrophobicContact CB-CZ 4.16Å; A211-L222 HydrophobicContact CB-CD1 3.83Å; A211-V234 HydrophobicContact CB-CG1 3.46Å; A211-V234 VanDerWaalsContact CB-CG1 3.46Å; A211-V235 PolarHBondContact N-O 2.92Å; A211-M236 HydrophobicContact CB-CG 4.1Å
212	H	97.3	Very high	95.5	Very high	16 Å²	16	34 Å²	34	7%	0.074	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-113	174	-174.9	-138.9	0	0	0	112.8	D218 M236 R237 W344	H212-D218 HydrophobicContact CB-CB 4.44Å; H212-D218 IonicContact CE1-OD1 3.63Å; H212-D218 IonicContact CG-OD1 3.6Å; H212-D218 IonicContact CG-OD2 3.82Å; H212-D218 IonicContact ND1-OD1 2.71Å; H212-D218 PolarHBondContact ND1-OD1 3.06Å; H212-D218 IonicContact ND1-OD2 3.97Å; H212-D218 PolarHBondContact ND1-OD2 3.12Å; H212-M236 CarbonylContact O-C 3.57Å; H212-M236 WeakPolarHBondContact O-CA 3.16Å; H212-R237 WeakPolarHBondContact O-CB 3.44Å; H212-R237 PolarHBondContact O-N 3.29Å; H212-W344 HydrophobicContact CB-CD2 3.5Å; H212-W344 HydrophobicContact CB-CE3 3.65Å; H212-W344 HydrophobicContact CB-CG 3.94Å; H212-W344 HydrophobicContact CB-CH2 4Å; H212-W344 HydrophobicContact CB-CZ2 3.92Å; H212-W344 HydrophobicContact CB-CZ3 3.88Å; H212-W344 AromaticContact CD2-CD1 3.83Å; H212-W344 AromaticContact CD2-CG 3.76Å; H212-W344 AromaticContact CE1-CD1 3.52Å; H212-W344 AromaticContact CE1-NE1 3.71Å; H212-W344 AromaticContact CG-CD1 3.7Å; H212-W344 AromaticContact CG-CD2 3.77Å; H212-W344 AromaticContact CG-CE2 3.81Å; H212-W344 AromaticContact CG-CG 3.7Å; H212-W344 AromaticContact CG-NE1 3.78Å; H212-W344 AromaticContact ND1-CD1 3.52Å; H212-W344 AromaticContact ND1-CE2 3.73Å; H212-W344 AromaticContact ND1-CG 4Å; H212-W344 AromaticContact ND1-NE1 3.35Å; H212-W344 PolarHBondContact ND1-NE1 3.48Å; H212-W344 AromaticContact NE2-CD1 3.73Å
213	Y	97.4	Very high	95.4	Very high	31 Å²	31	38.5 Å²	38.5	12%	0.122	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.3	174.3	-62.5	-75.4	0	0	0	113.2	A211 D218 R237 K247 D267	A211-Y213 PolarHBondContact O-N 2.97Å; A211-Y213 VanDerWaalsContact O-N 3.14Å; Y213-D218 PolarHBondContact N-OD2 2.95Å; Y213-D218 VanDerWaalsContact N-OD2 3.08Å; Y213-R237 HydrophobicContact CD1-CB 3.69Å; Y213-R237 HydrophobicContact CE1-CB 3.95Å; Y213-R237 PolarHBondContact OH-NH2 3.19Å; Y213-R237 VanDerWaalsContact OH-NH2 3.12Å; Y213-K247 WeakPolarHBondContact O-CG 3.48Å; Y213-K247 PolarHBondContact O-NZ 2.75Å; Y213-D267 PolarHBondContact OH-OD1 3.42Å
214	G	96.6	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.			trans	76.8	28.5	-178.9	0	0	0	0	0	113.8	A211 D218 F219 M236 L250	A211-G214 WeakPolarHBondContact O-CA 3.43Å; A211-G214 PolarHBondContact O-N 3.39Å; G214-D218 PolarHBondContact N-OD2 3.01Å; G214-F219 WeakPolarHBondContact O-CE2 3.3Å; G214-M236 VanDerWaalsContact CA-SD 3.51Å; G214-L250 WeakPolarHBondContact O-CD1 3.18Å
215	R	95.3	Very high	95.1	Very high	64 Å²	64	37.2 Å²	37.2	24%	0.242	19%	0.19	C	C	.	.			trans	-83.7	164	-176.9	-48.4	179.9	-174.5	173.1	4.7	112.6	E217 D218 F219 G240 V242	R215-E217 VanDerWaalsContact C-N 3.26Å; R215-E217 HydrophobicContact CB-CG 4.28Å; R215-E217 WeakPolarHBondContact CB-OE2 3.43Å; R215-E217 VanDerWaalsContact CD-CD 3.45Å; R215-E217 WeakPolarHBondContact CD-OE1 3.46Å; R215-E217 IonicContact CZ-OE1 2.86Å; R215-E217 IonicContact NE-OE1 2.78Å; R215-E217 IonicContact NH1-OE1 3.77Å; R215-E217 PolarHBondContact NH1-OE1 3.12Å; R215-E217 PolarHBondContact O-N 3.31Å; R215-D218 HydrophobicContact CB-CB 4.46Å; R215-D218 WeakPolarHBondContact CG-OD2 3.48Å; R215-D218 PolarHBondContact N-OD2 2.88Å; R215-D218 VanDerWaalsContact N-OD2 3.07Å; R215-D218 WeakPolarHBondContact O-CB 3.37Å; R215-D218 PolarHBondContact O-N 3.38Å; R215-F219 VanDerWaalsContact O-CD2 3.3Å; R215-F219 WeakPolarHBondContact O-CD2 3.39Å; R215-F219 PolarHBondContact O-N 2.92Å; R215-F219 VanDerWaalsContact O-N 3.12Å; R215-G240 VanDerWaalsContact CZ-O 3.31Å; R215-G240 PolarHBondContact NE-O 3.26Å; R215-G240 PolarHBondContact NH2-O 3.45Å; R215-V242 HydrophobicContact CB-CG2 4.43Å; R215-V242 HydrophobicContact CG-CG2 3.87Å
216	P	91.8	Very high	94.9	Very high	59 Å²	59	38 Å²	38	38%	0.383	21%	0.208	S	C	.	.	H	α-helix	trans	-55.8	-39.6	173.8	-24.5	35.6	0	0	0	112.8	N220 L250	P216-N220 WeakPolarHBondContact O-CB 3.32Å; P216-N220 VanDerWaalsContact O-CG 3.27Å; P216-N220 PolarHBondContact O-N 3.42Å; P216-N220 PolarHBondContact O-ND2 3.17Å; P216-L250 HydrophobicContact CG-CD1 3.96Å; P216-L250 HydrophobicContact CG-CD2 4.16Å
217	E	92.4	Very high	95	Very high	99 Å²	99	38.2 Å²	38.2	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-67.5	-33.3	174.7	68.5	-89	-150.9	0	0	113.2	R215 W221	R215-E217 VanDerWaalsContact C-N 3.26Å; R215-E217 HydrophobicContact CB-CG 4.28Å; R215-E217 WeakPolarHBondContact CB-OE2 3.43Å; R215-E217 VanDerWaalsContact CD-CD 3.45Å; R215-E217 WeakPolarHBondContact CD-OE1 3.46Å; R215-E217 IonicContact CZ-OE1 2.86Å; R215-E217 IonicContact NE-OE1 2.78Å; R215-E217 IonicContact NH1-OE1 3.77Å; R215-E217 PolarHBondContact NH1-OE1 3.12Å; R215-E217 PolarHBondContact O-N 3.31Å; E217-W221 VanDerWaalsContact O-CB 3.3Å; E217-W221 WeakPolarHBondContact O-CB 3.3Å; E217-W221 PolarHBondContact O-N 3.33Å
218	D	96.2	Very high	94.9	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-46.1	178.6	-65	-35	0	0	0	110.8	H212 Y213 G214 R215 W221 L222 W344	H212-D218 HydrophobicContact CB-CB 4.44Å; H212-D218 IonicContact CE1-OD1 3.63Å; H212-D218 IonicContact CG-OD1 3.6Å; H212-D218 IonicContact CG-OD2 3.82Å; H212-D218 IonicContact ND1-OD1 2.71Å; H212-D218 PolarHBondContact ND1-OD1 3.06Å; H212-D218 IonicContact ND1-OD2 3.97Å; H212-D218 PolarHBondContact ND1-OD2 3.12Å; Y213-D218 PolarHBondContact N-OD2 2.95Å; Y213-D218 VanDerWaalsContact N-OD2 3.08Å; G214-D218 PolarHBondContact N-OD2 3.01Å; R215-D218 HydrophobicContact CB-CB 4.46Å; R215-D218 WeakPolarHBondContact CG-OD2 3.48Å; R215-D218 PolarHBondContact N-OD2 2.88Å; R215-D218 VanDerWaalsContact N-OD2 3.07Å; R215-D218 WeakPolarHBondContact O-CB 3.37Å; R215-D218 PolarHBondContact O-N 3.38Å; D218-W221 PolarHBondContact O-N 2.95Å; D218-L222 WeakPolarHBondContact O-CG 3.17Å; D218-L222 PolarHBondContact O-N 3.29Å; D218-W344 HydrophobicContact CB-CH2 3.97Å; D218-W344 HydrophobicContact CB-CZ2 3.82Å; D218-W344 WeakPolarHBondContact OD1-CZ2 3.48Å
219	F	95.8	Very high	94.9	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.022	23%	0.23	C	C	.	.	H	α-helix	trans	-69.2	-36	177.6	-73.3	-71.4	0	0	0	113.4	A211 G214 R215 W221 L222 R223 A229 V234 M236 L250 A251 N254	A211-F219 HydrophobicContact CB-CE1 4.02Å; A211-F219 HydrophobicContact CB-CZ 4.16Å; G214-F219 WeakPolarHBondContact O-CE2 3.3Å; R215-F219 VanDerWaalsContact O-CD2 3.3Å; R215-F219 WeakPolarHBondContact O-CD2 3.39Å; R215-F219 PolarHBondContact O-N 2.92Å; R215-F219 VanDerWaalsContact O-N 3.12Å; F219-W221 VanDerWaalsContact C-N 3.33Å; F219-L222 HydrophobicContact CD1-CD1 4.25Å; F219-R223 PolarHBondContact O-N 3.38Å; F219-A229 HydrophobicContact CD1-CB 4.23Å; F219-A229 HydrophobicContact CE1-CB 3.99Å; F219-V234 HydrophobicContact CE1-CG1 3.98Å; F219-V234 HydrophobicContact CZ-CG1 3.98Å; F219-M236 HydrophobicContact CZ-SD 4.19Å; F219-L250 HydrophobicContact CD2-CB 3.98Å; F219-L250 HydrophobicContact CE2-CB 3.59Å; F219-A251 HydrophobicContact CZ-CB 4.02Å; F219-N254 HydrophobicContact CD1-CB 3.84Å; F219-N254 HydrophobicContact CE1-CB 4.23Å; F219-N254 HydrophobicContact CG-CB 4.32Å; F219-N254 WeakPolarHBondContact CG-ND2 3.43Å
220	N	92.2	Very high	94.8	Very high	82 Å²	82	45.2 Å²	45.2	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-64.7	-39.2	171.9	-75.6	-36.5	0	0	0	111.1	P216 R223 S224	P216-N220 WeakPolarHBondContact O-CB 3.32Å; P216-N220 VanDerWaalsContact O-CG 3.27Å; P216-N220 PolarHBondContact O-N 3.42Å; P216-N220 PolarHBondContact O-ND2 3.17Å; N220-R223 PolarHBondContact O-N 3.41Å; N220-S224 PolarHBondContact O-N 3.19Å; N220-S224 VanDerWaalsContact O-N 3.15Å
221	W	94.1	Very high	94.6	Very high	84 Å²	84	46.7 Å²	46.7	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-68.1	-44.8	177.8	-173.5	83.4	0	0	0	112.6	E217 D218 F219 R223 S224 V225 P341 W344 L355	E217-W221 VanDerWaalsContact O-CB 3.3Å; E217-W221 WeakPolarHBondContact O-CB 3.3Å; E217-W221 PolarHBondContact O-N 3.33Å; D218-W221 PolarHBondContact O-N 2.95Å; F219-W221 VanDerWaalsContact C-N 3.33Å; W221-R223 PolarHBondContact O-N 2.94Å; W221-S224 PolarHBondContact O-N 3.38Å; W221-S224 PolarHBondContact O-OG 2.93Å; W221-V225 HydrophobicContact CE3-CG2 4.22Å; W221-V225 HydrophobicContact CH2-CB 4.36Å; W221-V225 HydrophobicContact CH2-CG1 3.79Å; W221-V225 HydrophobicContact CH2-CG2 3.74Å; W221-V225 HydrophobicContact CZ2-CB 4.48Å; W221-V225 HydrophobicContact CZ2-CG1 3.46Å; W221-V225 VanDerWaalsContact CZ2-CG1 3.46Å; W221-V225 HydrophobicContact CZ2-CG2 4.25Å; W221-V225 HydrophobicContact CZ3-CG1 4.48Å; W221-V225 HydrophobicContact CZ3-CG2 3.75Å; W221-V225 PolarHBondContact O-N 3.42Å; W221-P341 HydrophobicContact CD2-CG 4.17Å; W221-P341 HydrophobicContact CE3-CG 4.11Å; W221-P341 VanDerWaalsContact CH2-CD 3.44Å; W221-P341 HydrophobicContact CH2-CG 3.48Å; W221-P341 VanDerWaalsContact CH2-CG 3.48Å; W221-P341 HydrophobicContact CZ2-CG 3.5Å; W221-P341 HydrophobicContact CZ3-CG 3.77Å; W221-W344 HydrophobicContact CB-CZ2 4.44Å; W221-W344 HydrophobicContact CD2-CZ2 4.3Å; W221-W344 AromaticContact CE3-CH2 3.61Å; W221-W344 HydrophobicContact CE3-CH2 3.61Å; W221-W344 AromaticContact CE3-CZ2 3.69Å; W221-W344 HydrophobicContact CE3-CZ2 3.69Å; W221-W344 HydrophobicContact CE3-CZ3 4.08Å; W221-W344 HydrophobicContact CZ3-CE3 4.47Å; W221-W344 HydrophobicContact CZ3-CH2 4.18Å; W221-W344 HydrophobicContact CZ3-CZ2 4.45Å; W221-W344 HydrophobicContact CZ3-CZ3 4.17Å; W221-L355 HydrophobicContact CH2-CD1 3.87Å; W221-L355 HydrophobicContact CZ3-CD1 3.56Å; W221-L355 HydrophobicContact CZ3-CD2 4.08Å; W221-L355 HydrophobicContact CZ3-CG 4.46Å
222	L	95.6	Very high	94.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-51.2	-46.4	173.5	-77.1	174.4	0	0	0	111.5	V209 A211 D218 F219 S224 V225 G226 V227 W344 L355	V209-L222 HydrophobicContact CG1-CD1 3.84Å; V209-L222 HydrophobicContact CG1-CD2 4.4Å; A211-L222 HydrophobicContact CB-CD1 3.83Å; D218-L222 WeakPolarHBondContact O-CG 3.17Å; D218-L222 PolarHBondContact O-N 3.29Å; F219-L222 HydrophobicContact CD1-CD1 4.25Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.37Å; L222-V225 CarbonylContact O-C 3.57Å; L222-V225 VanDerWaalsContact O-CG2 3.23Å; L222-V225 WeakPolarHBondContact O-CG2 3.5Å; L222-V225 PolarHBondContact O-N 2.88Å; L222-G226 PolarHBondContact O-N 3.22Å; L222-V227 CarbonylContact C-O 3.52Å; L222-V227 VanDerWaalsContact C-O 3.24Å; L222-V227 HydrophobicContact CB-CB 4.45Å; L222-V227 HydrophobicContact CD2-CB 4.11Å; L222-V227 HydrophobicContact CD2-CG1 3.96Å; L222-V227 PolarHBondContact O-N 2.76Å; L222-V227 VanDerWaalsContact O-O 3.12Å; L222-W344 HydrophobicContact CD2-CH2 4.04Å; L222-W344 HydrophobicContact CD2-CZ3 3.89Å; L222-W344 HydrophobicContact CG-CH2 3.96Å; L222-W344 HydrophobicContact CG-CZ3 4.29Å; L222-L355 HydrophobicContact CD2-CB 4.42Å; L222-L355 HydrophobicContact CD2-CD1 4.08Å; L222-L355 HydrophobicContact CD2-CD2 4.01Å; L222-L355 HydrophobicContact CD2-CG 4.4Å
223	R	92.6	Very high	94.6	Very high	120 Å²	120	47.9 Å²	47.9	45%	0.453	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-38	178.9	-163.6	-176.3	-57	-161.2	-0.3	112.4	F219 N220 W221 V225 G226 L228 N254	F219-R223 PolarHBondContact O-N 3.38Å; N220-R223 PolarHBondContact O-N 3.41Å; W221-R223 PolarHBondContact O-N 2.94Å; R223-V225 VanDerWaalsContact C-N 3.26Å; R223-V225 PolarHBondContact O-N 3.44Å; R223-G226 PolarHBondContact O-N 2.94Å; R223-G226 VanDerWaalsContact O-N 3.15Å; R223-L228 HydrophobicContact CG-CD2 4.45Å; R223-N254 PolarHBondContact NH2-OD1 3.28Å
224	S	91.2	Very high	94.6	Very high	89 Å²	89	46.4 Å²	46.4	62%	0.622	27%	0.267	S	S	*	.	H	α-helix	trans	-68.5	-22.9	178.6	76.7	0	0	0	0	113.8	N220 W221 L222	N220-S224 PolarHBondContact O-N 3.19Å; N220-S224 VanDerWaalsContact O-N 3.15Å; W221-S224 PolarHBondContact O-N 3.38Å; W221-S224 PolarHBondContact O-OG 2.93Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.37Å
225	V	93.2	Very high	94.7	Very high	59 Å²	59	46.4 Å²	46.4	36%	0.358	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	13.6	172.5	-59.4	0	0	0	0	113.5	W221 L222 R223 V227 L355	W221-V225 HydrophobicContact CE3-CG2 4.22Å; W221-V225 HydrophobicContact CH2-CB 4.36Å; W221-V225 HydrophobicContact CH2-CG1 3.79Å; W221-V225 HydrophobicContact CH2-CG2 3.74Å; W221-V225 HydrophobicContact CZ2-CB 4.48Å; W221-V225 HydrophobicContact CZ2-CG1 3.46Å; W221-V225 VanDerWaalsContact CZ2-CG1 3.46Å; W221-V225 HydrophobicContact CZ2-CG2 4.25Å; W221-V225 HydrophobicContact CZ3-CG1 4.48Å; W221-V225 HydrophobicContact CZ3-CG2 3.75Å; W221-V225 PolarHBondContact O-N 3.42Å; L222-V225 CarbonylContact O-C 3.57Å; L222-V225 VanDerWaalsContact O-CG2 3.23Å; L222-V225 WeakPolarHBondContact O-CG2 3.5Å; L222-V225 PolarHBondContact O-N 2.88Å; R223-V225 VanDerWaalsContact C-N 3.26Å; R223-V225 PolarHBondContact O-N 3.44Å; V225-V227 VanDerWaalsContact C-N 3.32Å; V225-V227 HydrophobicContact CG2-CG2 4.26Å; V225-V227 PolarHBondContact O-N 3.02Å; V225-L355 HydrophobicContact CG2-CD1 3.85Å
226	G	92.6	Very high	94.9	Very high	62 Å²	62	43.4 Å²	43.4	64%	0.639	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	8.3	175.2	0	0	0	0	0	115.8	L222 R223	L222-G226 PolarHBondContact O-N 3.22Å; R223-G226 PolarHBondContact O-N 2.94Å; R223-G226 VanDerWaalsContact O-N 3.15Å
227	V	95.1	Very high	95.1	Very high	10 Å²	10	40.9 Å²	40.9	6%	0.061	24%	0.238	C	C	.	.			trans	-90.8	126	176	177.8	0	0	0	0	109.6	V209 L222 V225 P338 L355	V209-V227 HydrophobicContact CG1-CG1 3.88Å; V209-V227 HydrophobicContact CG2-CG1 4.21Å; L222-V227 CarbonylContact C-O 3.52Å; L222-V227 VanDerWaalsContact C-O 3.24Å; L222-V227 HydrophobicContact CB-CB 4.45Å; L222-V227 HydrophobicContact CD2-CB 4.11Å; L222-V227 HydrophobicContact CD2-CG1 3.96Å; L222-V227 PolarHBondContact O-N 2.76Å; L222-V227 VanDerWaalsContact O-O 3.12Å; V225-V227 VanDerWaalsContact C-N 3.32Å; V225-V227 HydrophobicContact CG2-CG2 4.26Å; V225-V227 PolarHBondContact O-N 3.02Å; V227-P338 HydrophobicContact CG2-CG 3.99Å; V227-L355 HydrophobicContact CG1-CB 4.33Å; V227-L355 HydrophobicContact CG2-CB 4.1Å; V227-L355 HydrophobicContact CG2-CD1 3.94Å
228	L	94.4	Very high	95.3	Very high	100 Å²	100	37 Å²	37	52%	0.524	22%	0.221	S	C	.	.			trans	-111.4	124.8	-177.4	-59.8	179.5	0	0	0	111	R223 A230 H232	R223-L228 HydrophobicContact CG-CD2 4.45Å; L228-A230 HydrophobicContact CB-CB 4.29Å; L228-A230 PolarHBondContact O-N 2.88Å; L228-H232 PolarHBondContact O-ND1 2.85Å
229	A	95.5	Very high	95.1	Very high	6 Å²	6	38.4 Å²	38.4	5%	0.05	24%	0.237	C	C	.	.			trans	-64.6	-24.9	167.7	0	0	0	0	0	112.2	F219 G231 H232 V234 N254 G256	F219-A229 HydrophobicContact CD1-CB 4.23Å; F219-A229 HydrophobicContact CE1-CB 3.99Å; A229-G231 PolarHBondContact O-N 3.13Å; A229-H232 PolarHBondContact O-N 3.34Å; A229-V234 HydrophobicContact CB-CG2 3.99Å; A229-N254 HydrophobicContact CB-CB 4.13Å; A229-G256 WeakPolarHBondContact O-CA 3.33Å
230	A	96.3	Very high	94.8	Very high	50 Å²	50	39.4 Å²	39.4	41%	0.413	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	117.6	176.9	0	0	0	0	0	112.4	L228 H232 N254 G255	L228-A230 HydrophobicContact CB-CB 4.29Å; L228-A230 PolarHBondContact O-N 2.88Å; A230-H232 PolarHBondContact O-CE1 2.96Å; A230-H232 PolarHBondContact O-ND1 2.87Å; A230-H232 VanDerWaalsContact O-ND1 3.16Å; A230-N254 PolarHBondContact N-O 2.88Å; A230-G255 VanDerWaalsContact CA-O 3.3Å; A230-G255 WeakPolarHBondContact CA-O 3.43Å
231	G	93.8	Very high	94.5	Very high	38 Å²	38	39.4 Å²	39.4	39%	0.392	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	14.1	179.4	0	0	0	0	0	115.8	Y204 A229 G255	Y204-G231 WeakPolarHBondContact OH-CA 3.22Å; Y204-G231 PolarHBondContact OH-O 3.33Å; Y204-G231 VanDerWaalsContact OH-O 3.04Å; A229-G231 PolarHBondContact O-N 3.13Å; G231-G255 PolarHBondContact N-O 2.89Å
232	H	96.8	Very high	94.4	Very high	41 Å²	41	36.6 Å²	36.6	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	159.4	-177.1	-57.2	110.4	0	0	0	112.8	V209 L228 A229 A230 G256 G257 P357	V209-H232 HydrophobicContact CB-CB 4.43Å; V209-H232 HydrophobicContact CG2-CB 3.74Å; L228-H232 PolarHBondContact O-ND1 2.85Å; A229-H232 PolarHBondContact O-N 3.34Å; A230-H232 PolarHBondContact O-CE1 2.96Å; A230-H232 PolarHBondContact O-ND1 2.87Å; A230-H232 VanDerWaalsContact O-ND1 3.16Å; H232-G256 CarbonylContact O-C 3.57Å; H232-G256 WeakPolarHBondContact O-CA 3.37Å; H232-G257 PolarHBondContact O-N 2.99Å; H232-P357 WeakPolarHBondContact NE2-CB 3.28Å
233	L	97.8	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	133.4	163.8	-72	177.1	0	0	0	109.2	Y204 G207 V208 V209 G258 V365 L367	Y204-L233 HydrophobicContact CD1-CD2 3.55Å; Y204-L233 HydrophobicContact CD1-CG 3.81Å; Y204-L233 HydrophobicContact CE1-CD2 4.26Å; Y204-L233 HydrophobicContact CE1-CG 4.25Å; Y204-L233 HydrophobicContact CG-CD2 4.32Å; G207-L233 PolarHBondContact O-N 2.79Å; V208-L233 CarbonylContact C-O 3.49Å; V208-L233 WeakPolarHBondContact CA-O 3.45Å; V208-L233 HydrophobicContact CG2-CB 4.09Å; V209-L233 PolarHBondContact N-O 2.87Å; L233-G258 WeakPolarHBondContact CA-O 3.25Å; L233-V365 HydrophobicContact CD1-CB 3.89Å; L233-V365 HydrophobicContact CD1-CG1 3.56Å; L233-L367 HydrophobicContact CD1-CB 4.08Å; L233-L367 HydrophobicContact CD2-CB 4.28Å; L233-L367 HydrophobicContact CD2-CD2 3.95Å
234	V	98.4	Very high	94.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.3	-175.8	-169.9	0	0	0	0	110.1	V209 A211 F219 A229 M236 A251 G258 A259 L260	V209-V234 WeakPolarHBondContact O-CA 3.3Å; A211-V234 HydrophobicContact CB-CG1 3.46Å; A211-V234 VanDerWaalsContact CB-CG1 3.46Å; F219-V234 HydrophobicContact CE1-CG1 3.98Å; F219-V234 HydrophobicContact CZ-CG1 3.98Å; A229-V234 HydrophobicContact CB-CG2 3.99Å; V234-M236 HydrophobicContact CB-CE 4.25Å; V234-M236 HydrophobicContact CG1-CE 4.08Å; V234-M236 HydrophobicContact CG1-CG 3.95Å; V234-M236 HydrophobicContact CG1-SD 3.96Å; V234-A251 HydrophobicContact CB-CB 4.01Å; V234-A251 HydrophobicContact CG1-CB 4.31Å; V234-A251 HydrophobicContact CG2-CB 3.94Å; V234-G258 PolarHBondContact N-O 2.98Å; V234-A259 WeakPolarHBondContact O-CA 3.38Å; V234-L260 PolarHBondContact O-N 2.88Å
235	V	98.4	Very high	94.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.3	177.3	175.4	0	0	0	0	110	V208 V209 Y210 A211 L260 Y262 L332	V208-V235 HydrophobicContact CG1-CB 4.34Å; V208-V235 HydrophobicContact CG1-CG2 3.52Å; V209-V235 PolarHBondContact O-N 3.2Å; Y210-V235 HydrophobicContact CD2-CG1 4.49Å; A211-V235 PolarHBondContact N-O 2.92Å; V235-L260 WeakPolarHBondContact CA-O 3.5Å; V235-L260 HydrophobicContact CG2-CB 4.03Å; V235-L260 HydrophobicContact CG2-CD1 4.07Å; V235-Y262 HydrophobicContact CG1-CD1 3.77Å; V235-Y262 HydrophobicContact CG1-CE1 3.83Å; V235-L332 HydrophobicContact CB-CD2 4.38Å; V235-L332 HydrophobicContact CG1-CD1 4.09Å; V235-L332 HydrophobicContact CG1-CD2 4.16Å; V235-L332 HydrophobicContact CG1-CG 4.4Å
236	M	98.4	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.1	-173.2	-66.3	169.2	-71.9	0	0	111.9	A211 H212 G214 F219 V234 K247 A251 A259 L260 I261 Y262	A211-M236 HydrophobicContact CB-CG 4.1Å; H212-M236 CarbonylContact O-C 3.57Å; H212-M236 WeakPolarHBondContact O-CA 3.16Å; G214-M236 VanDerWaalsContact CA-SD 3.51Å; F219-M236 HydrophobicContact CZ-SD 4.19Å; V234-M236 HydrophobicContact CB-CE 4.25Å; V234-M236 HydrophobicContact CG1-CE 4.08Å; V234-M236 HydrophobicContact CG1-CG 3.95Å; V234-M236 HydrophobicContact CG1-SD 3.96Å; M236-K247 HydrophobicContact CE-CB 4Å; M236-K247 HydrophobicContact SD-CB 3.84Å; M236-K247 HydrophobicContact SD-CG 4.27Å; M236-A251 HydrophobicContact CE-CB 4.04Å; M236-A259 HydrophobicContact CE-CB 3.75Å; M236-L260 PolarHBondContact N-O 3.29Å; M236-I261 HydrophobicContact CE-CG1 4.4Å; M236-I261 CarbonylContact O-C 3.59Å; M236-I261 WeakPolarHBondContact O-CA 3.3Å; M236-Y262 VanDerWaalsContact O-CD1 3.25Å; M236-Y262 WeakPolarHBondContact O-CD1 3.49Å; M236-Y262 PolarHBondContact O-N 2.95Å
237	R	97.4	Very high	95.1	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144.5	177.9	-70	166.3	59.2	175.5	-5.3	111.4	Y210 H212 Y213 K247 Y262 D264 D267 W344	Y210-R237 HydrophobicContact CE2-CG 4.42Å; Y210-R237 VanDerWaalsContact OH-CD 3.27Å; Y210-R237 WeakPolarHBondContact OH-CD 3.33Å; H212-R237 WeakPolarHBondContact O-CB 3.44Å; H212-R237 PolarHBondContact O-N 3.29Å; Y213-R237 HydrophobicContact CD1-CB 3.69Å; Y213-R237 HydrophobicContact CE1-CB 3.95Å; Y213-R237 PolarHBondContact OH-NH2 3.19Å; Y213-R237 VanDerWaalsContact OH-NH2 3.12Å; R237-K247 WeakPolarHBondContact O-CE 3.37Å; R237-K247 PolarHBondContact O-NZ 2.85Å; R237-Y262 WeakPolarHBondContact CA-O 3.48Å; R237-Y262 HydrophobicContact CG-CD1 4.43Å; R237-Y262 HydrophobicContact CG-CE1 3.64Å; R237-Y262 HydrophobicContact CG-CE2 4.26Å; R237-Y262 WeakPolarHBondContact CG-OH 3.05Å; R237-D264 HydrophobicContact CG-CB 4.02Å; R237-D267 IonicContact CZ-OD1 3.84Å; R237-D267 IonicContact CZ-OD2 3.87Å; R237-D267 VanDerWaalsContact CZ-OD2 3.24Å; R237-D267 IonicContact NE-OD2 2.8Å; R237-D267 PolarHBondContact NE-OD2 2.74Å; R237-D267 IonicContact NH2-OD1 3.51Å; R237-D267 PolarHBondContact NH2-OD1 3.32Å; R237-D267 IonicContact NH2-OD2 2.75Å; R237-D267 PolarHBondContact NH2-OD2 2.89Å; R237-W344 PolarHBondContact NH1-O 3.48Å
238	V	96.1	Very high	95.2	Very high	17 Å²	17	22.7 Å²	22.7	10%	0.103	17%	0.171	C	C	.	.	S	Bend	trans	-58.1	147.7	166.5	174.4	0	0	0	0	110.1	F244 I261 Y262 P263 L268 V283	V238-F244 HydrophobicContact CG1-CE1 4.36Å; V238-F244 HydrophobicContact CG2-CE1 4Å; V238-F244 HydrophobicContact CG2-CZ 3.84Å; V238-I261 HydrophobicContact CG2-CG2 3.93Å; V238-Y262 WeakPolarHBondContact CG2-O 3.47Å; V238-Y262 PolarHBondContact N-O 3.35Å; V238-P263 HydrophobicContact CG2-CB 4.47Å; V238-L268 HydrophobicContact CB-CD1 4.13Å; V238-L268 HydrophobicContact CG1-CD1 3.72Å; V238-V283 HydrophobicContact CG2-CB 4.16Å; V238-V283 HydrophobicContact CG2-CG2 4.4Å
239	G	91.9	Very high	95.3	Very high	35 Å²	35	22 Å²	22	36%	0.361	16%	0.161	S	C	.	.			trans	76.8	-149	177.2	0	0	0	0	0	113.9	K247	G239-K247 PolarHBondContact O-NZ 3.44Å
240	G	88.3	Confident	95.4	Very high	26 Å²	26	22.5 Å²	22.5	27%	0.268	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	20.4	-175.9	0	0	0	0	0	115.1	R215	R215-G240 VanDerWaalsContact CZ-O 3.31Å; R215-G240 PolarHBondContact NE-O 3.26Å; R215-G240 PolarHBondContact NH2-O 3.45Å
241	G	87.4	Confident	95.4	Very high	82 Å²	82	20.1 Å²	20.1	85%	0.845	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	16	176.4	0	0	0	0	0	115.5
242	V	91.3	Very high	95.6	Very high	24 Å²	24	20.7 Å²	20.7	15%	0.145	14%	0.136	C	C	.	.			trans	-138.5	131.1	-176.4	179.2	0	0	0	0	108.1	R215 E246 K247 L250	R215-V242 HydrophobicContact CB-CG2 4.43Å; R215-V242 HydrophobicContact CG-CG2 3.87Å; V242-E246 WeakPolarHBondContact CA-OE2 3.2Å; V242-E246 HydrophobicContact CG1-CB 3.36Å; V242-E246 HydrophobicContact CG1-CG 4.4Å; V242-K247 HydrophobicContact CG1-CG 4.07Å; V242-K247 WeakPolarHBondContact O-CE 3.38Å; V242-K247 PolarHBondContact O-NZ 2.95Å; V242-L250 HydrophobicContact CG1-CD1 4.46Å
243	S	94.1	Very high	95.5	Very high	14 Å²	14	25.9 Å²	25.9	10%	0.098	15%	0.154	C	C	.	.			trans	-77.8	171.2	-178.2	81.2	0	0	0	0	113.2	E246 K247 E285 N533	S243-E246 PolarHBondContact N-OE2 3.35Å; S243-E246 PolarHBondContact O-N 2.88Å; S243-E246 PolarHBondContact OG-N 2.83Å; S243-K247 VanDerWaalsContact O-CG 3.26Å; S243-K247 WeakPolarHBondContact O-CG 3.45Å; S243-K247 PolarHBondContact O-N 2.81Å; S243-E285 WeakPolarHBondContact CB-OE1 3.48Å; S243-N533 VanDerWaalsContact CB-OD1 3.28Å; S243-N533 WeakPolarHBondContact CB-OD1 3.22Å; S243-N533 PolarHBondContact OG-OD1 3.39Å
244	F	96.9	Very high	95.5	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-45.2	176.7	-82.9	54.9	0	0	0	111.4	V238 E246 K247 V248 I261 V283 E285 V287 P322	V238-F244 HydrophobicContact CG1-CE1 4.36Å; V238-F244 HydrophobicContact CG2-CE1 4Å; V238-F244 HydrophobicContact CG2-CZ 3.84Å; F244-E246 VanDerWaalsContact C-N 3.31Å; F244-E246 PolarHBondContact O-N 3.48Å; F244-K247 WeakPolarHBondContact O-CB 3.48Å; F244-K247 PolarHBondContact O-N 3.44Å; F244-V248 WeakPolarHBondContact O-CG2 3.22Å; F244-V248 PolarHBondContact O-N 3.16Å; F244-I261 HydrophobicContact CB-CD1 4.07Å; F244-I261 HydrophobicContact CD1-CG2 4.32Å; F244-I261 HydrophobicContact CD2-CB 4.17Å; F244-I261 HydrophobicContact CD2-CD1 3.44Å; F244-I261 VanDerWaalsContact CD2-CD1 3.44Å; F244-I261 HydrophobicContact CD2-CG1 4.39Å; F244-I261 HydrophobicContact CD2-CG2 4.07Å; F244-I261 HydrophobicContact CE1-CG2 3.88Å; F244-I261 HydrophobicContact CE2-CB 3.82Å; F244-I261 HydrophobicContact CE2-CD1 4.03Å; F244-I261 HydrophobicContact CE2-CG2 3.6Å; F244-I261 HydrophobicContact CG-CD1 3.73Å; F244-I261 HydrophobicContact CG-CG2 4.41Å; F244-I261 HydrophobicContact CZ-CB 4.24Å; F244-I261 HydrophobicContact CZ-CG2 3.5Å; F244-V283 WeakPolarHBondContact CE2-O 3.38Å; F244-V283 HydrophobicContact CZ-CB 4.31Å; F244-V283 HydrophobicContact CZ-CG1 4.24Å; F244-V283 VanDerWaalsContact CZ-O 3.29Å; F244-V283 WeakPolarHBondContact CZ-O 3.49Å; F244-E285 HydrophobicContact CB-CB 3.93Å; F244-E285 HydrophobicContact CB-CG 4.1Å; F244-E285 WeakPolarHBondContact CB-OE1 3.34Å; F244-E285 HydrophobicContact CD1-CB 3.69Å; F244-E285 HydrophobicContact CD1-CG 4.14Å; F244-E285 WeakPolarHBondContact CD1-OE1 3.43Å; F244-E285 HydrophobicContact CD2-CB 3.85Å; F244-E285 HydrophobicContact CE1-CB 4.05Å; F244-E285 HydrophobicContact CE2-CB 4.2Å; F244-E285 HydrophobicContact CG-CB 3.58Å; F244-E285 HydrophobicContact CG-CG 4.17Å; F244-E285 HydrophobicContact CZ-CB 4.29Å; F244-E285 PolarHBondContact N-OE1 2.86Å; F244-V287 HydrophobicContact CB-CG1 3.94Å; F244-P322 HydrophobicContact CE2-CB 4.36Å
245	A	95.8	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-43.9	174.2	0	0	0	0	0	112.9	W249 H286 V287 H288 L289 L532	A245-W249 WeakPolarHBondContact O-CB 3.27Å; A245-W249 PolarHBondContact O-N 3.15Å; A245-H286 PolarHBondContact N-O 3.19Å; A245-V287 WeakPolarHBondContact CA-O 3.43Å; A245-V287 WeakPolarHBondContact CB-O 3.5Å; A245-H288 VanDerWaalsContact CB-C 3.5Å; A245-H288 VanDerWaalsContact CB-O 3.24Å; A245-H288 WeakPolarHBondContact CB-O 3.22Å; A245-L289 HydrophobicContact CB-CB 4.35Å; A245-L289 HydrophobicContact CB-CD1 4.15Å; A245-L532 HydrophobicContact CB-CD2 4.37Å
246	E	95.1	Very high	95.3	Very high	34 Å²	34	29.4 Å²	29.4	16%	0.159	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-40	177.1	-66	177.3	117.5	0	0	112.7	V242 S243 F244 L250 L289 R700	V242-E246 WeakPolarHBondContact CA-OE2 3.2Å; V242-E246 HydrophobicContact CG1-CB 3.36Å; V242-E246 HydrophobicContact CG1-CG 4.4Å; S243-E246 PolarHBondContact N-OE2 3.35Å; S243-E246 PolarHBondContact O-N 2.88Å; S243-E246 PolarHBondContact OG-N 2.83Å; F244-E246 VanDerWaalsContact C-N 3.31Å; F244-E246 PolarHBondContact O-N 3.48Å; E246-L250 VanDerWaalsContact O-CB 3.3Å; E246-L250 WeakPolarHBondContact O-CB 3.21Å; E246-L250 VanDerWaalsContact O-CG 3.25Å; E246-L250 WeakPolarHBondContact O-CG 3.46Å; E246-L250 PolarHBondContact O-N 2.84Å; E246-L289 HydrophobicContact CB-CD1 4.39Å; E246-L289 HydrophobicContact CG-CD1 3.75Å; E246-R700 IonicContact OE1-CZ 2.82Å; E246-R700 IonicContact OE1-NH1 3.74Å; E246-R700 PolarHBondContact OE1-NH1 3Å; E246-R700 IonicContact OE1-NH2 3.2Å; E246-R700 PolarHBondContact OE1-NH2 2.95Å
247	K	97.8	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-47.4	175.6	-73.2	166.3	-154.1	-71.4	0	111.8	Y213 M236 R237 G239 V242 S243 F244 L250 A251 I261	Y213-K247 WeakPolarHBondContact O-CG 3.48Å; Y213-K247 PolarHBondContact O-NZ 2.75Å; M236-K247 HydrophobicContact CE-CB 4Å; M236-K247 HydrophobicContact SD-CB 3.84Å; M236-K247 HydrophobicContact SD-CG 4.27Å; R237-K247 WeakPolarHBondContact O-CE 3.37Å; R237-K247 PolarHBondContact O-NZ 2.85Å; G239-K247 PolarHBondContact O-NZ 3.44Å; V242-K247 HydrophobicContact CG1-CG 4.07Å; V242-K247 WeakPolarHBondContact O-CE 3.38Å; V242-K247 PolarHBondContact O-NZ 2.95Å; S243-K247 VanDerWaalsContact O-CG 3.26Å; S243-K247 WeakPolarHBondContact O-CG 3.45Å; S243-K247 PolarHBondContact O-N 2.81Å; F244-K247 WeakPolarHBondContact O-CB 3.48Å; F244-K247 PolarHBondContact O-N 3.44Å; K247-L250 PolarHBondContact O-N 2.88Å; K247-A251 WeakPolarHBondContact O-CB 3.32Å; K247-A251 PolarHBondContact O-N 2.88Å; K247-I261 HydrophobicContact CB-CD1 4.17Å; K247-I261 HydrophobicContact CD-CD1 4.06Å; K247-I261 HydrophobicContact CD-CG1 4.39Å; K247-I261 HydrophobicContact CD-CG2 4.24Å
248	V	97.9	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-46.9	-179.5	179.2	0	0	0	0	110.4	F244 L250 A251 E252 A259 I261 V287 P316 I318 A320	F244-V248 WeakPolarHBondContact O-CG2 3.22Å; F244-V248 PolarHBondContact O-N 3.16Å; V248-L250 PolarHBondContact O-N 3.26Å; V248-A251 PolarHBondContact O-N 2.92Å; V248-E252 WeakPolarHBondContact O-CB 3.31Å; V248-E252 PolarHBondContact O-N 2.85Å; V248-A259 HydrophobicContact CG2-CB 3.87Å; V248-I261 HydrophobicContact CG2-CD1 4.18Å; V248-V287 HydrophobicContact CB-CB 4.41Å; V248-V287 HydrophobicContact CB-CG1 4.45Å; V248-V287 HydrophobicContact CG2-CB 4.02Å; V248-V287 HydrophobicContact CG2-CG1 3.57Å; V248-P316 HydrophobicContact CG1-CB 3.54Å; V248-P316 HydrophobicContact CG1-CG 4.26Å; V248-I318 HydrophobicContact CG1-CD1 4.05Å; V248-I318 HydrophobicContact CG1-CG1 3.69Å; V248-A320 HydrophobicContact CG1-CB 4.15Å; V248-A320 HydrophobicContact CG2-CB 3.56Å
249	W	96.3	Very high	95.4	Very high	86 Å²	86	28.8 Å²	28.8	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-39.3	176	175	77.7	0	0	0	113.1	A245 R253 L289	A245-W249 WeakPolarHBondContact O-CB 3.27Å; A245-W249 PolarHBondContact O-N 3.15Å; W249-R253 WeakPolarHBondContact O-CB 3.47Å; W249-R253 PolarHBondContact O-N 3.01Å; W249-L289 HydrophobicContact CB-CD1 4.44Å; W249-L289 HydrophobicContact CB-CD2 4.12Å; W249-L289 HydrophobicContact CD2-CD2 3.77Å; W249-L289 HydrophobicContact CE3-CD2 4.31Å; W249-L289 HydrophobicContact CG-CD2 3.66Å
250	L	96.6	Very high	95.7	Very high	15 Å²	15	27.1 Å²	27.1	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-70.2	-34.8	175.7	-74	170.3	0	0	0	112.6	G214 P216 F219 V242 E246 K247 V248 N254	G214-L250 WeakPolarHBondContact O-CD1 3.18Å; P216-L250 HydrophobicContact CG-CD1 3.96Å; P216-L250 HydrophobicContact CG-CD2 4.16Å; F219-L250 HydrophobicContact CD2-CB 3.98Å; F219-L250 HydrophobicContact CE2-CB 3.59Å; V242-L250 HydrophobicContact CG1-CD1 4.46Å; E246-L250 VanDerWaalsContact O-CB 3.3Å; E246-L250 WeakPolarHBondContact O-CB 3.21Å; E246-L250 VanDerWaalsContact O-CG 3.25Å; E246-L250 WeakPolarHBondContact O-CG 3.46Å; E246-L250 PolarHBondContact O-N 2.84Å; K247-L250 PolarHBondContact O-N 2.88Å; V248-L250 PolarHBondContact O-N 3.26Å; L250-N254 PolarHBondContact O-N 3.09Å; L250-N254 PolarHBondContact O-ND2 3.05Å
251	A	97.9	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-49.8	172.5	0	0	0	0	0	111.4	F219 V234 M236 K247 V248 R253 N254 G255 G256 I318	F219-A251 HydrophobicContact CZ-CB 4.02Å; V234-A251 HydrophobicContact CB-CB 4.01Å; V234-A251 HydrophobicContact CG1-CB 4.31Å; V234-A251 HydrophobicContact CG2-CB 3.94Å; M236-A251 HydrophobicContact CE-CB 4.04Å; K247-A251 WeakPolarHBondContact O-CB 3.32Å; K247-A251 PolarHBondContact O-N 2.88Å; V248-A251 PolarHBondContact O-N 2.92Å; A251-R253 PolarHBondContact O-N 2.94Å; A251-N254 CarbonylContact O-C 3.54Å; A251-N254 PolarHBondContact O-N 3.15Å; A251-N254 VanDerWaalsContact O-N 3.1Å; A251-G255 PolarHBondContact O-N 2.82Å; A251-G256 PolarHBondContact O-N 3.1Å; A251-I318 HydrophobicContact CB-CD1 4.14Å
252	E	97.3	Very high	96.7	Very high	51 Å²	51	22.1 Å²	22.1	24%	0.238	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-47.7	175.5	-177.3	179.6	137.7	0	0	111.4	V248 N254 G255 L317 I318	V248-E252 WeakPolarHBondContact O-CB 3.31Å; V248-E252 PolarHBondContact O-N 2.85Å; E252-N254 PolarHBondContact O-N 2.92Å; E252-N254 VanDerWaalsContact O-N 3.13Å; E252-G255 WeakPolarHBondContact O-CA 3.44Å; E252-G255 PolarHBondContact O-N 3.39Å; E252-L317 PolarHBondContact OE2-N 3.2Å; E252-I318 HydrophobicContact CB-CD1 3.84Å; E252-I318 HydrophobicContact CB-CG1 4.12Å; E252-I318 HydrophobicContact CB-CG2 4.21Å; E252-I318 HydrophobicContact CG-CG2 3.96Å
253	R	95.1	Very high	97	Very high	150 Å²	150	21 Å²	21	57%	0.566	11%	0.105	S	C	*	.	H	α-helix	trans	-66.5	-13.3	179.1	-168.8	169.3	-177.4	-158.7	-3.7	114	W249 A251	W249-R253 WeakPolarHBondContact O-CB 3.47Å; W249-R253 PolarHBondContact O-N 3.01Å; A251-R253 PolarHBondContact O-N 2.94Å
254	N	96.7	Very high	97.1	Very high	32 Å²	32	20.3 Å²	20.3	17%	0.171	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	12.6	169.6	-74.3	-85	0	0	0	113.2	F219 R223 A229 A230 L250 A251 E252	F219-N254 HydrophobicContact CD1-CB 3.84Å; F219-N254 HydrophobicContact CE1-CB 4.23Å; F219-N254 HydrophobicContact CG-CB 4.32Å; F219-N254 WeakPolarHBondContact CG-ND2 3.43Å; R223-N254 PolarHBondContact NH2-OD1 3.28Å; A229-N254 HydrophobicContact CB-CB 4.13Å; A230-N254 PolarHBondContact N-O 2.88Å; L250-N254 PolarHBondContact O-N 3.09Å; L250-N254 PolarHBondContact O-ND2 3.05Å; A251-N254 CarbonylContact O-C 3.54Å; A251-N254 PolarHBondContact O-N 3.15Å; A251-N254 VanDerWaalsContact O-N 3.1Å; E252-N254 PolarHBondContact O-N 2.92Å; E252-N254 VanDerWaalsContact O-N 3.13Å
255	G	96.6	Very high	96.9	Very high	39 Å²	39	21.1 Å²	21.1	40%	0.402	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	10.1	175.6	0	0	0	0	0	115.2	A230 G231 A251 E252	A230-G255 VanDerWaalsContact CA-O 3.3Å; A230-G255 WeakPolarHBondContact CA-O 3.43Å; G231-G255 PolarHBondContact N-O 2.89Å; A251-G255 PolarHBondContact O-N 2.82Å; E252-G255 WeakPolarHBondContact O-CA 3.44Å; E252-G255 PolarHBondContact O-N 3.39Å
256	G	97.3	Very high	96.7	Very high	3 Å²	3	22.6 Å²	22.6	3%	0.031	12%	0.118	C	C	.	.			trans	-61.2	135.8	173	0	0	0	0	0	110.6	A229 H232 A251 I318	A229-G256 WeakPolarHBondContact O-CA 3.33Å; H232-G256 CarbonylContact O-C 3.57Å; H232-G256 WeakPolarHBondContact O-CA 3.37Å; A251-G256 PolarHBondContact O-N 3.1Å; G256-I318 WeakPolarHBondContact O-CG2 3.41Å
257	G	96.9	Very high	96.6	Very high	11 Å²	11	23 Å²	23	11%	0.113	12%	0.121	C	C	.	.	S	Bend	trans	-91.3	4.6	-177	0	0	0	0	0	115	Y204 H232 P319	Y204-G257 VanDerWaalsContact CD2-O 3.31Å; Y204-G257 WeakPolarHBondContact CD2-O 3.47Å; H232-G257 PolarHBondContact O-N 2.99Å; G257-P319 WeakPolarHBondContact O-CD 3.38Å
258	G	97.8	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.7	161.3	177.1	0	0	0	0	0	111	L233 V234 P319	L233-G258 WeakPolarHBondContact CA-O 3.25Å; V234-G258 PolarHBondContact N-O 2.98Å; G258-P319 CarbonylContact C-O 3.42Å; G258-P319 WeakPolarHBondContact CA-O 3.37Å
259	A	98.4	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.3	-173	0	0	0	0	0	111.9	V234 M236 V248 P319 A320 L321	V234-A259 WeakPolarHBondContact O-CA 3.38Å; M236-A259 HydrophobicContact CE-CB 3.75Å; V248-A259 HydrophobicContact CG2-CB 3.87Å; A259-P319 PolarHBondContact N-O 2.95Å; A259-A320 HydrophobicContact CB-CB 4.19Å; A259-A320 WeakPolarHBondContact O-CA 3.41Å; A259-L321 PolarHBondContact O-N 3.17Å
260	L	98.6	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.7	174.4	-62.1	178.8	0	0	0	108.8	L175 V234 V235 M236 L321 I323 L331 L367	L175-L260 HydrophobicContact CD1-CD1 4.45Å; L175-L260 HydrophobicContact CD1-CD2 4.45Å; V234-L260 PolarHBondContact O-N 2.88Å; V235-L260 WeakPolarHBondContact CA-O 3.5Å; V235-L260 HydrophobicContact CG2-CB 4.03Å; V235-L260 HydrophobicContact CG2-CD1 4.07Å; M236-L260 PolarHBondContact N-O 3.29Å; L260-L321 WeakPolarHBondContact CA-O 3.3Å; L260-L321 HydrophobicContact CD2-CB 3.97Å; L260-L321 HydrophobicContact CD2-CD2 4.4Å; L260-I323 HydrophobicContact CB-CD1 3.94Å; L260-I323 HydrophobicContact CB-CG1 4.37Å; L260-I323 HydrophobicContact CD1-CD1 4.45Å; L260-I323 HydrophobicContact CD2-CG2 4.1Å; L260-L331 HydrophobicContact CD1-CD1 3.87Å; L260-L367 HydrophobicContact CD2-CD1 4.25Å; L260-L367 HydrophobicContact CD2-CD2 4.18Å
261	I	98.6	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.8	-173.1	-56.7	169.2	0	0	0	109.9	M236 V238 F244 K247 V248 L321 P322 I323	M236-I261 HydrophobicContact CE-CG1 4.4Å; M236-I261 CarbonylContact O-C 3.59Å; M236-I261 WeakPolarHBondContact O-CA 3.3Å; V238-I261 HydrophobicContact CG2-CG2 3.93Å; F244-I261 HydrophobicContact CB-CD1 4.07Å; F244-I261 HydrophobicContact CD1-CG2 4.32Å; F244-I261 HydrophobicContact CD2-CB 4.17Å; F244-I261 HydrophobicContact CD2-CD1 3.44Å; F244-I261 VanDerWaalsContact CD2-CD1 3.44Å; F244-I261 HydrophobicContact CD2-CG1 4.39Å; F244-I261 HydrophobicContact CD2-CG2 4.07Å; F244-I261 HydrophobicContact CE1-CG2 3.88Å; F244-I261 HydrophobicContact CE2-CB 3.82Å; F244-I261 HydrophobicContact CE2-CD1 4.03Å; F244-I261 HydrophobicContact CE2-CG2 3.6Å; F244-I261 HydrophobicContact CG-CD1 3.73Å; F244-I261 HydrophobicContact CG-CG2 4.41Å; F244-I261 HydrophobicContact CZ-CB 4.24Å; F244-I261 HydrophobicContact CZ-CG2 3.5Å; K247-I261 HydrophobicContact CB-CD1 4.17Å; K247-I261 HydrophobicContact CD-CD1 4.06Å; K247-I261 HydrophobicContact CD-CG1 4.39Å; K247-I261 HydrophobicContact CD-CG2 4.24Å; V248-I261 HydrophobicContact CG2-CD1 4.18Å; I261-L321 PolarHBondContact N-O 3.41Å; I261-L321 VanDerWaalsContact N-O 3.15Å; I261-P322 WeakPolarHBondContact O-CA 3.41Å; I261-I323 PolarHBondContact O-N 2.9Å
262	Y	98	Very high	93.3	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.2	-170.9	85	-89.7	0	0	0	114.9	Y210 V235 M236 R237 V238 D264 I323 A328 L332 L348	Y210-Y262 HydrophobicContact CE2-CE1 4.39Å; V235-Y262 HydrophobicContact CG1-CD1 3.77Å; V235-Y262 HydrophobicContact CG1-CE1 3.83Å; M236-Y262 VanDerWaalsContact O-CD1 3.25Å; M236-Y262 WeakPolarHBondContact O-CD1 3.49Å; M236-Y262 PolarHBondContact O-N 2.95Å; R237-Y262 WeakPolarHBondContact CA-O 3.48Å; R237-Y262 HydrophobicContact CG-CD1 4.43Å; R237-Y262 HydrophobicContact CG-CE1 3.64Å; R237-Y262 HydrophobicContact CG-CE2 4.26Å; R237-Y262 WeakPolarHBondContact CG-OH 3.05Å; V238-Y262 WeakPolarHBondContact CG2-O 3.47Å; V238-Y262 PolarHBondContact N-O 3.35Å; Y262-D264 HydrophobicContact CD2-CB 4.35Å; Y262-D264 HydrophobicContact CE2-CB 3.54Å; Y262-D264 VanDerWaalsContact CE2-OD2 3.26Å; Y262-D264 WeakPolarHBondContact CE2-OD2 2.96Å; Y262-D264 PolarHBondContact O-N 3.5Å; Y262-D264 PolarHBondContact OH-OD2 2.93Å; Y262-I323 WeakPolarHBondContact CA-O 3.24Å; Y262-A328 HydrophobicContact CD1-CB 3.84Å; Y262-A328 HydrophobicContact CD2-CB 3.49Å; Y262-A328 VanDerWaalsContact CD2-CB 3.49Å; Y262-A328 HydrophobicContact CE1-CB 4.32Å; Y262-A328 HydrophobicContact CE2-CB 4.02Å; Y262-A328 HydrophobicContact CG-CB 3.4Å; Y262-L332 HydrophobicContact CE1-CD1 4.19Å; Y262-L348 HydrophobicContact CD2-CD1 4.33Å; Y262-L348 HydrophobicContact CD2-CD2 4.31Å; Y262-L348 HydrophobicContact CE2-CD1 3.53Å; Y262-L348 HydrophobicContact CE2-CD2 3.89Å; Y262-L348 HydrophobicContact CE2-CG 3.82Å
263	P	96.8	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.			trans	-80.5	108	174.3	31.5	-31.9	0	0	0	110.8	V238 L268 L277 V283 I323 A325	V238-P263 HydrophobicContact CG2-CB 4.47Å; P263-L268 HydrophobicContact CB-CB 4.31Å; P263-L268 HydrophobicContact CB-CD1 3.8Å; P263-L277 HydrophobicContact CB-CD1 4Å; P263-L277 HydrophobicContact CG-CD1 4.36Å; P263-V283 HydrophobicContact CB-CG2 4.1Å; P263-V283 HydrophobicContact CG-CG2 4.38Å; P263-I323 VanDerWaalsContact CD-O 3.25Å; P263-I323 WeakPolarHBondContact CD-O 3.37Å; P263-A325 WeakPolarHBondContact O-CB 3.48Å
264	D	96.1	Very high	91.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.			trans	-79.3	137.9	178	-163.1	-75.3	0	0	0	111.8	R237 Y262 A266 D267 L268 G346 R347	R237-D264 HydrophobicContact CG-CB 4.02Å; Y262-D264 HydrophobicContact CD2-CB 4.35Å; Y262-D264 HydrophobicContact CE2-CB 3.54Å; Y262-D264 VanDerWaalsContact CE2-OD2 3.26Å; Y262-D264 WeakPolarHBondContact CE2-OD2 2.96Å; Y262-D264 PolarHBondContact O-N 3.5Å; Y262-D264 PolarHBondContact OH-OD2 2.93Å; D264-A266 PolarHBondContact O-N 3.34Å; D264-A266 WeakPolarHBondContact OD1-CB 3.39Å; D264-A266 PolarHBondContact OD1-N 2.81Å; D264-D267 PolarHBondContact O-N 2.95Å; D264-L268 PolarHBondContact O-N 3.45Å; D264-G346 VanDerWaalsContact OD1-CA 3.29Å; D264-G346 WeakPolarHBondContact OD1-CA 3.42Å; D264-G346 WeakPolarHBondContact OD2-CA 3.44Å; D264-R347 PolarHBondContact OD1-N 2.89Å
265	P	93.9	Very high	90.8	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.123	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-7.4	175.8	-13.8	23.4	0	0	0	115.2	Q270 R347 L348	P265-Q270 HydrophobicContact CB-CB 4.29Å; P265-Q270 HydrophobicContact CB-CG 3.77Å; P265-Q270 HydrophobicContact CG-CB 4.46Å; P265-Q270 HydrophobicContact CG-CG 3.69Å; P265-R347 HydrophobicContact CB-CB 3.88Å; P265-R347 HydrophobicContact CG-CB 4.44Å; P265-L348 HydrophobicContact CG-CD2 4.2Å
266	A	92.2	Very high	90.4	Very high	32 Å²	32	36.3 Å²	36.3	26%	0.264	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-32	168.9	0	0	0	0	0	113.1	D264 R347	D264-A266 PolarHBondContact O-N 3.34Å; D264-A266 WeakPolarHBondContact OD1-CB 3.39Å; D264-A266 PolarHBondContact OD1-N 2.81Å; A266-R347 HydrophobicContact CB-CB 4.27Å; A266-R347 HydrophobicContact CB-CG 3.95Å
267	D	91.8	Very high	90.1	Very high	42 Å²	42	36.1 Å²	36.1	23%	0.225	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-46.9	-172.9	-50.8	-40.2	0	0	0	111	Y213 R237 D264	Y213-D267 PolarHBondContact OH-OD1 3.42Å; R237-D267 IonicContact CZ-OD1 3.84Å; R237-D267 IonicContact CZ-OD2 3.87Å; R237-D267 VanDerWaalsContact CZ-OD2 3.24Å; R237-D267 IonicContact NE-OD2 2.8Å; R237-D267 PolarHBondContact NE-OD2 2.74Å; R237-D267 IonicContact NH2-OD1 3.51Å; R237-D267 PolarHBondContact NH2-OD1 3.32Å; R237-D267 IonicContact NH2-OD2 2.75Å; R237-D267 PolarHBondContact NH2-OD2 2.89Å; D264-D267 PolarHBondContact O-N 2.95Å
268	L	91.7	Very high	89.8	Confident	21 Å²	21	37.6 Å²	37.6	11%	0.11	18%	0.18	C	C	.	.	S	Bend	trans	-120.9	92.6	-178.9	-58.2	-179.3	0	0	0	107.4	V238 P263 D264 Q270 L277 V283 A557	V238-L268 HydrophobicContact CB-CD1 4.13Å; V238-L268 HydrophobicContact CG1-CD1 3.72Å; P263-L268 HydrophobicContact CB-CB 4.31Å; P263-L268 HydrophobicContact CB-CD1 3.8Å; D264-L268 PolarHBondContact O-N 3.45Å; L268-Q270 PolarHBondContact O-N 3.03Å; L268-Q270 PolarHBondContact O-NE2 3.48Å; L268-L277 HydrophobicContact CB-CD1 4.18Å; L268-L277 HydrophobicContact CD1-CD1 4.39Å; L268-V283 HydrophobicContact CD1-CG2 4.19Å; L268-A557 HydrophobicContact CD2-CB 4.35Å
269	P	86.6	Confident	89.5	Confident	33 Å²	33	39.2 Å²	39.2	21%	0.214	19%	0.193	C	C	.	.			trans	-58.6	136.5	-170.3	-27.1	35.5	0	0	0	113.1	G276 L277	P269-G276 CarbonylContact O-C 3.47Å; P269-G276 WeakPolarHBondContact O-CA 3.33Å; P269-L277 PolarHBondContact O-N 2.77Å
270	Q	85.9	Confident	89.3	Confident	42 Å²	42	45.5 Å²	45.5	20%	0.196	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-101.4	94.3	-177	-56.6	-63.4	-43	0	0	110.2	P265 L268 L277 N278	P265-Q270 HydrophobicContact CB-CB 4.29Å; P265-Q270 HydrophobicContact CB-CG 3.77Å; P265-Q270 HydrophobicContact CG-CB 4.46Å; P265-Q270 HydrophobicContact CG-CG 3.69Å; L268-Q270 PolarHBondContact O-N 3.03Å; L268-Q270 PolarHBondContact O-NE2 3.48Å; Q270-L277 CarbonylContact C-O 3.44Å; Q270-L277 WeakPolarHBondContact CA-O 3.38Å; Q270-L277 VanDerWaalsContact OE1-CB 3.25Å; Q270-L277 PolarHBondContact OE1-O 3.36Å; Q270-N278 PolarHBondContact OE1-O 3.26Å; Q270-N278 VanDerWaalsContact OE1-O 3.13Å
271	D	81.6	Confident	89.1	Confident	50 Å²	50	46.4 Å²	46.4	27%	0.267	23%	0.228	S	C	.	.			trans	-156.9	95.1	172.6	-177	-3.6	0	0	0	110.1	R273 R274 G276 L277	D271-R273 PolarHBondContact O-N 3.24Å; D271-R273 VanDerWaalsContact O-N 3.15Å; D271-R273 WeakPolarHBondContact OD1-CB 3.46Å; D271-R273 PolarHBondContact OD1-N 3.3Å; D271-R274 HydrophobicContact CB-CB 4.42Å; D271-R274 CarbonylContact O-C 3.51Å; D271-R274 PolarHBondContact O-N 3.49Å; D271-R274 VanDerWaalsContact O-N 3.07Å; D271-R274 WeakPolarHBondContact OD2-CD 3.5Å; D271-R274 VanDerWaalsContact OD2-CG 3.31Å; D271-R274 WeakPolarHBondContact OD2-CG 3.36Å; D271-R274 IonicContact OD2-NE 3.91Å; D271-G276 WeakPolarHBondContact O-CA 3.39Å; D271-G276 PolarHBondContact O-N 3.39Å; D271-L277 PolarHBondContact N-O 3.27Å; D271-L277 VanDerWaalsContact N-O 3.09Å
272	P	71	Confident	89	Confident	67 Å²	67	46.4 Å²	46.4	44%	0.435	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.5	-178.8	-25.9	37.2	0	0	0	115.1	L277 N278 R570	P272-L277 WeakPolarHBondContact CD-O 3.48Å; P272-N278 HydrophobicContact CB-CB 4.42Å; P272-N278 HydrophobicContact CG-CB 3.47Å; P272-N278 VanDerWaalsContact CG-CB 3.47Å; P272-R570 PolarHBondContact O-NH2 2.89Å
273	R	73.4	Confident	88.9	Confident	237 Å²	237	46.7 Å²	46.7	89%	0.894	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	2.3	176.8	-63.7	179.1	176.6	157.3	-1.5	112.5	D271	D271-R273 PolarHBondContact O-N 3.24Å; D271-R273 VanDerWaalsContact O-N 3.15Å; D271-R273 WeakPolarHBondContact OD1-CB 3.46Å; D271-R273 PolarHBondContact OD1-N 3.3Å
274	R	79.9	Confident	88.8	Confident	165 Å²	165	47.3 Å²	47.3	62%	0.623	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-138.5	-164.6	174.7	-60	-175.1	178.6	171.9	-5.2	108.3	D271 G276 R570	D271-R274 HydrophobicContact CB-CB 4.42Å; D271-R274 CarbonylContact O-C 3.51Å; D271-R274 PolarHBondContact O-N 3.49Å; D271-R274 VanDerWaalsContact O-N 3.07Å; D271-R274 WeakPolarHBondContact OD2-CD 3.5Å; D271-R274 VanDerWaalsContact OD2-CG 3.31Å; D271-R274 WeakPolarHBondContact OD2-CG 3.36Å; D271-R274 IonicContact OD2-NE 3.91Å; R274-G276 PolarHBondContact O-N 3Å; R274-R570 PolarHBondContact O-NH1 2.83Å
275	L	83.4	Confident	88.8	Confident	37 Å²	37	48.9 Å²	48.9	19%	0.194	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	55.8	170.4	-67.8	175	0	0	0	113.8	R556 F560 E573 V574	L275-R556 PolarHBondContact O-NE 3.02Å; L275-R556 PolarHBondContact O-NH2 2.93Å; L275-F560 HydrophobicContact CD2-CE2 4.23Å; L275-E573 HydrophobicContact CD2-CB 3.7Å; L275-E573 HydrophobicContact CD2-CG 3.5Å; L275-E573 VanDerWaalsContact CD2-CG 3.5Å; L275-E573 HydrophobicContact CG-CG 4Å; L275-E573 PolarHBondContact N-OE1 3.41Å; L275-V574 HydrophobicContact CD1-CG2 4.08Å; L275-V574 HydrophobicContact CD2-CB 4.39Å; L275-V574 HydrophobicContact CD2-CG2 3.47Å; L275-V574 VanDerWaalsContact CD2-CG2 3.47Å; L275-V574 HydrophobicContact CG-CG2 4.34Å
276	G	87.7	Confident	88.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.			trans	-137.6	153.6	-180	0	0	0	0	0	113.4	P269 D271 R274 F560	P269-G276 CarbonylContact O-C 3.47Å; P269-G276 WeakPolarHBondContact O-CA 3.33Å; D271-G276 WeakPolarHBondContact O-CA 3.39Å; D271-G276 PolarHBondContact O-N 3.39Å; R274-G276 PolarHBondContact O-N 3Å; G276-F560 WeakPolarHBondContact O-CE1 3.31Å
277	L	90.9	Very high	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-63.3	164.8	171.4	-80.2	178	0	0	0	111.1	P263 L268 P269 Q270 D271 P272 T281 V283 P559 F560 T563 L565	P263-L277 HydrophobicContact CB-CD1 4Å; P263-L277 HydrophobicContact CG-CD1 4.36Å; L268-L277 HydrophobicContact CB-CD1 4.18Å; L268-L277 HydrophobicContact CD1-CD1 4.39Å; P269-L277 PolarHBondContact O-N 2.77Å; Q270-L277 CarbonylContact C-O 3.44Å; Q270-L277 WeakPolarHBondContact CA-O 3.38Å; Q270-L277 VanDerWaalsContact OE1-CB 3.25Å; Q270-L277 PolarHBondContact OE1-O 3.36Å; D271-L277 PolarHBondContact N-O 3.27Å; D271-L277 VanDerWaalsContact N-O 3.09Å; P272-L277 WeakPolarHBondContact CD-O 3.48Å; L277-T281 HydrophobicContact CD2-CG2 4Å; L277-V283 HydrophobicContact CD1-CG2 4.39Å; L277-P559 WeakPolarHBondContact CD1-O 3.42Å; L277-P559 VanDerWaalsContact CD2-O 3.32Å; L277-P559 WeakPolarHBondContact CD2-O 3.37Å; L277-P559 HydrophobicContact CG-CB 4.27Å; L277-P559 WeakPolarHBondContact CG-O 3.42Å; L277-F560 HydrophobicContact CD2-CD1 4.1Å; L277-T563 HydrophobicContact CD2-CG2 4.02Å; L277-L565 HydrophobicContact CD2-CD1 3.93Å
278	N	91.1	Very high	89.2	Confident	41 Å²	41	45 Å²	45	22%	0.219	22%	0.215	C	C	.	.			trans	-95.2	144.8	162.2	83.2	76.5	0	0	0	109.9	Q270 P272 H280 T281	Q270-N278 PolarHBondContact OE1-O 3.26Å; Q270-N278 VanDerWaalsContact OE1-O 3.13Å; P272-N278 HydrophobicContact CB-CB 4.42Å; P272-N278 HydrophobicContact CG-CB 3.47Å; P272-N278 VanDerWaalsContact CG-CB 3.47Å; N278-H280 PolarHBondContact O-N 2.91Å; N278-H280 VanDerWaalsContact OD1-C 3.29Å; N278-H280 VanDerWaalsContact OD1-CA 3.27Å; N278-H280 WeakPolarHBondContact OD1-CA 3.38Å; N278-H280 WeakPolarHBondContact OD1-CB 3.42Å; N278-H280 PolarHBondContact OD1-N 2.94Å; N278-T281 PolarHBondContact ND2-OG1 2.8Å; N278-T281 PolarHBondContact O-N 3.07Å; N278-T281 PolarHBondContact OD1-N 3.08Å
279	A	92.3	Very high	89.2	Confident	34 Å²	34	45.5 Å²	45.5	28%	0.281	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	0	-174.1	0	0	0	0	0	114.6	T324 A325 T326	A279-T324 WeakPolarHBondContact O-CB 3.42Å; A279-T324 PolarHBondContact O-OG1 2.93Å; A279-A325 HydrophobicContact CB-CB 4.27Å; A279-A325 PolarHBondContact O-N 2.64Å; A279-T326 VanDerWaalsContact O-CB 3.32Å; A279-T326 WeakPolarHBondContact O-CB 3.36Å; A279-T326 PolarHBondContact O-N 3.04Å; A279-T326 PolarHBondContact O-OG1 3.33Å
280	H	93.6	Very high	89.4	Confident	133 Å²	133	44 Å²	44	62%	0.616	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	9.1	175	-53.1	-69.9	0	0	0	112.8	N278 T324 T326	N278-H280 PolarHBondContact O-N 2.91Å; N278-H280 VanDerWaalsContact OD1-C 3.29Å; N278-H280 VanDerWaalsContact OD1-CA 3.27Å; N278-H280 WeakPolarHBondContact OD1-CA 3.38Å; N278-H280 WeakPolarHBondContact OD1-CB 3.42Å; N278-H280 PolarHBondContact OD1-N 2.94Å; H280-T324 VanDerWaalsContact C-CG2 3.42Å; H280-T324 WeakPolarHBondContact O-CG2 3.48Å; H280-T326 PolarHBondContact CE1-OG1 2.98Å; H280-T326 PolarHBondContact ND1-OG1 3.47Å
281	T	94.8	Very high	89.6	Confident	18 Å²	18	42.6 Å²	42.6	11%	0.11	20%	0.204	C	C	.	.			trans	-101.8	132.1	170.4	-76.2	0	0	0	0	109.8	L277 N278 T563	L277-T281 HydrophobicContact CD2-CG2 4Å; N278-T281 PolarHBondContact ND2-OG1 2.8Å; N278-T281 PolarHBondContact O-N 3.07Å; N278-T281 PolarHBondContact OD1-N 3.08Å; T281-T563 HydrophobicContact CG2-CG2 3.76Å
282	A	95.8	Very high	90	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	19%	0.191	C	C	.	.			trans	-90.5	171.3	165.3	0	0	0	0	0	110.6	D194 P322 T324 T563	D194-A282 HydrophobicContact CB-CB 4.27Å; D194-A282 VanDerWaalsContact OD2-CB 3.25Å; D194-A282 WeakPolarHBondContact OD2-CB 3.2Å; A282-P322 HydrophobicContact CB-CB 4.1Å; A282-T324 HydrophobicContact CB-CG2 4.39Å; A282-T563 WeakPolarHBondContact O-CG2 3.42Å
283	V	96.6	Very high	90.9	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.055	17%	0.171	C	C	.	.			trans	-112.8	124.2	171	178.7	0	0	0	0	107.1	V238 F244 P263 L268 L277 P322 N562 T563	V238-V283 HydrophobicContact CG2-CB 4.16Å; V238-V283 HydrophobicContact CG2-CG2 4.4Å; F244-V283 WeakPolarHBondContact CE2-O 3.38Å; F244-V283 HydrophobicContact CZ-CB 4.31Å; F244-V283 HydrophobicContact CZ-CG1 4.24Å; F244-V283 VanDerWaalsContact CZ-O 3.29Å; F244-V283 WeakPolarHBondContact CZ-O 3.49Å; P263-V283 HydrophobicContact CB-CG2 4.1Å; P263-V283 HydrophobicContact CG-CG2 4.38Å; L268-V283 HydrophobicContact CD1-CG2 4.19Å; L277-V283 HydrophobicContact CD1-CG2 4.39Å; V283-P322 WeakPolarHBondContact O-CB 3.47Å; V283-N562 HydrophobicContact CG1-CB 4.25Å; V283-T563 HydrophobicContact CG2-CG2 3.9Å
284	S	95.1	Very high	91.6	Very high	13 Å²	13	25.9 Å²	25.9	9%	0.091	13%	0.128	C	C	.	.			trans	-97.8	143.7	-179.7	-60.6	0	0	0	0	110.7	Y195 N562	Y195-S284 WeakPolarHBondContact O-CB 3.32Å; Y195-S284 PolarHBondContact O-OG 2.9Å; S284-N562 PolarHBondContact N-O 2.82Å; S284-N562 WeakPolarHBondContact O-CB 3.02Å; S284-N562 PolarHBondContact O-ND2 3.11Å
285	E	95.4	Very high	91.8	Very high	32 Å²	32	19.6 Å²	19.6	15%	0.15	11%	0.106	C	C	.	.			trans	-162	151	176	-172.1	177	106.3	0	0	108.7	P197 S243 F244 N533	P197-E285 WeakPolarHBondContact CD-O 3.45Å; S243-E285 WeakPolarHBondContact CB-OE1 3.48Å; F244-E285 HydrophobicContact CB-CB 3.93Å; F244-E285 HydrophobicContact CB-CG 4.1Å; F244-E285 WeakPolarHBondContact CB-OE1 3.34Å; F244-E285 HydrophobicContact CD1-CB 3.69Å; F244-E285 HydrophobicContact CD1-CG 4.14Å; F244-E285 WeakPolarHBondContact CD1-OE1 3.43Å; F244-E285 HydrophobicContact CD2-CB 3.85Å; F244-E285 HydrophobicContact CE1-CB 4.05Å; F244-E285 HydrophobicContact CE2-CB 4.2Å; F244-E285 HydrophobicContact CG-CB 3.58Å; F244-E285 HydrophobicContact CG-CG 4.17Å; F244-E285 HydrophobicContact CZ-CB 4.29Å; F244-E285 PolarHBondContact N-OE1 2.86Å; E285-N533 VanDerWaalsContact CD-ND2 3.32Å; E285-N533 PolarHBondContact OE1-ND2 3.42Å
286	H	96.4	Very high	91.9	Very high	11 Å²	11	18.3 Å²	18.3	5%	0.051	10%	0.099	C	C	.	.			trans	-65.2	148	176.8	69.7	96.5	0	0	0	112.1	P197 Y198 A245 H288	P197-H286 HydrophobicContact CB-CB 3.99Å; P197-H286 HydrophobicContact CG-CB 4.46Å; P197-H286 WeakPolarHBondContact O-CA 3.16Å; Y198-H286 HydrophobicContact CD2-CB 4.41Å; A245-H286 PolarHBondContact N-O 3.19Å; H286-H288 PolarHBondContact ND1-O 2.81Å
287	V	96.8	Very high	91.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.103	C	C	.	.			trans	-111.8	5.5	179	-68.1	0	0	0	0	113.7	C196 P197 Y198 S199 F244 A245 V248 L289 P316 A320	C196-V287 HydrophobicContact CB-CB 4.47Å; C196-V287 HydrophobicContact CB-CG1 3.68Å; C196-V287 HydrophobicContact CB-CG2 3.96Å; P197-V287 WeakPolarHBondContact O-CG2 3.43Å; P197-V287 PolarHBondContact O-N 3.17Å; Y198-V287 VanDerWaalsContact C-CG2 3.49Å; S199-V287 VanDerWaalsContact N-CG2 3.32Å; F244-V287 HydrophobicContact CB-CG1 3.94Å; A245-V287 WeakPolarHBondContact CA-O 3.43Å; A245-V287 WeakPolarHBondContact CB-O 3.5Å; V248-V287 HydrophobicContact CB-CB 4.41Å; V248-V287 HydrophobicContact CB-CG1 4.45Å; V248-V287 HydrophobicContact CG2-CB 4.02Å; V248-V287 HydrophobicContact CG2-CG1 3.57Å; V287-L289 PolarHBondContact O-N 2.9Å; V287-P316 HydrophobicContact CB-CG 4.36Å; V287-P316 HydrophobicContact CG2-CG 3.87Å; V287-A320 HydrophobicContact CG1-CB 4.14Å; V287-A320 HydrophobicContact CG2-CB 4.35Å
288	H	94.1	Very high	91	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.111	C	C	.	.			trans	-68	119.5	167.2	172.8	-133.4	0	0	0	110.8	Y198 A245 H286 G290 S291 S312	Y198-H288 HydrophobicContact CD2-CB 3.75Å; Y198-H288 HydrophobicContact CG-CB 4.18Å; A245-H288 VanDerWaalsContact CB-C 3.5Å; A245-H288 VanDerWaalsContact CB-O 3.24Å; A245-H288 WeakPolarHBondContact CB-O 3.22Å; H286-H288 PolarHBondContact ND1-O 2.81Å; H288-G290 VanDerWaalsContact CE1-CA 3.44Å; H288-G290 WeakPolarHBondContact CE1-CA 3.18Å; H288-G290 PolarHBondContact O-N 3.07Å; H288-S291 PolarHBondContact CE1-N 3.19Å; H288-S312 PolarHBondContact NE2-OG 3.48Å
289	L	91.6	Very high	90.5	Very high	30 Å²	30	19.9 Å²	19.9	16%	0.157	11%	0.11	C	C	.	.	S	Bend	trans	-80.5	51.3	174.9	-165.3	80.2	0	0	0	111.1	A245 E246 W249 V287 G314 L532	A245-L289 HydrophobicContact CB-CB 4.35Å; A245-L289 HydrophobicContact CB-CD1 4.15Å; E246-L289 HydrophobicContact CB-CD1 4.39Å; E246-L289 HydrophobicContact CG-CD1 3.75Å; W249-L289 HydrophobicContact CB-CD1 4.44Å; W249-L289 HydrophobicContact CB-CD2 4.12Å; W249-L289 HydrophobicContact CD2-CD2 3.77Å; W249-L289 HydrophobicContact CE3-CD2 4.31Å; W249-L289 HydrophobicContact CG-CD2 3.66Å; V287-L289 PolarHBondContact O-N 2.9Å; L289-G314 PolarHBondContact N-O 3.16Å; L289-L532 HydrophobicContact CD1-CD2 4.07Å
290	G	89.4	Confident	89.9	Confident	3 Å²	3	19.6 Å²	19.6	3%	0.031	11%	0.105	C	C	.	.	S	Bend	trans	-155.5	-159.6	-175.6	0	0	0	0	0	111.2	H288	H288-G290 VanDerWaalsContact CE1-CA 3.44Å; H288-G290 WeakPolarHBondContact CE1-CA 3.18Å; H288-G290 PolarHBondContact O-N 3.07Å
291	S	90.3	Very high	88.9	Confident	12 Å²	12	14.2 Å²	14.2	8%	0.084	8%	0.083	C	C	.	.	S	Bend	trans	-159.4	153.9	172.4	-169.3	0	0	0	0	107.3	H288 G449 T454 S538	H288-S291 PolarHBondContact CE1-N 3.19Å; S291-G449 WeakPolarHBondContact CA-O 2.93Å; S291-G449 WeakPolarHBondContact CB-O 3.39Å; S291-G449 PolarHBondContact OG-O 3.08Å; S291-T454 PolarHBondContact OG-OG1 3.45Å; S291-S538 WeakPolarHBondContact CB-OG 3.11Å; S291-S538 PolarHBondContact OG-OG 3.15Å
292	G	90.1	Very high	87.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	85.3	175.1	-165.1	0	0	0	0	0	112.5	P294 G449 E455	G292-P294 WeakPolarHBondContact O-CD 3.08Å; G292-G449 PolarHBondContact N-O 3.35Å; G292-E455 WeakPolarHBondContact CA-OE1 3.39Å
293	D	89.7	Confident	86	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.016	12%	0.12	C	C	.	.			trans	-61.9	120.6	173.8	-173.8	-40.2	0	0	0	108.7	A162 M163 F295 T296 V451 E455	A162-D293 VanDerWaalsContact CA-OD2 3.3Å; A162-D293 WeakPolarHBondContact CA-OD2 2.96Å; M163-D293 PolarHBondContact N-OD2 3.04Å; D293-F295 PolarHBondContact O-N 3.35Å; D293-F295 WeakPolarHBondContact OD1-CB 3.23Å; D293-F295 WeakPolarHBondContact OD1-CD2 3.45Å; D293-F295 PolarHBondContact OD1-N 2.86Å; D293-T296 PolarHBondContact O-N 2.02Å; D293-V451 HydrophobicContact CB-CG1 4.2Å; D293-E455 PolarHBondContact N-OE1 2.8Å
294	P	88	Confident	84	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	1.1	-177.8	26	-32.4	0	0	0	114.3	Y198 G292 S312 L315	Y198-P294 HydrophobicContact CD1-CG 3.63Å; Y198-P294 HydrophobicContact CD2-CG 4.38Å; Y198-P294 HydrophobicContact CE1-CG 3.33Å; Y198-P294 HydrophobicContact CE2-CG 4.12Å; Y198-P294 HydrophobicContact CG-CG 4.14Å; G292-P294 WeakPolarHBondContact O-CD 3.08Å; P294-S312 WeakPolarHBondContact O-CB 3.45Å; P294-S312 PolarHBondContact O-N 2.78Å; P294-L315 HydrophobicContact CB-CD1 4.12Å; P294-L315 HydrophobicContact CB-CD2 3.67Å; P294-L315 HydrophobicContact CB-CG 3.88Å; P294-L315 HydrophobicContact CG-CD2 4.06Å
295	F	85.8	Confident	82.1	Confident	33 Å²	33	28.6 Å²	28.6	15%	0.145	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.4	177	-59.2	-77.3	0	0	0	114.1	M163 D293 P309 I310 P311 L315 M373	M163-F295 HydrophobicContact CB-CD2 3.78Å; M163-F295 HydrophobicContact CB-CE2 4.28Å; D293-F295 PolarHBondContact O-N 3.35Å; D293-F295 WeakPolarHBondContact OD1-CB 3.23Å; D293-F295 WeakPolarHBondContact OD1-CD2 3.45Å; D293-F295 PolarHBondContact OD1-N 2.86Å; F295-P309 HydrophobicContact CB-CB 3.72Å; F295-P309 HydrophobicContact CD1-CB 3.88Å; F295-P309 HydrophobicContact CG-CB 4.11Å; F295-I310 CarbonylContact C-O 3.58Å; F295-I310 WeakPolarHBondContact CA-O 3.47Å; F295-I310 PolarHBondContact O-N 3.14Å; F295-P311 HydrophobicContact CD1-CB 4.42Å; F295-P311 HydrophobicContact CE1-CB 4.37Å; F295-L315 HydrophobicContact CE1-CD1 3.93Å; F295-L315 HydrophobicContact CZ-CD1 3.97Å; F295-M373 HydrophobicContact CD2-CE 4.3Å; F295-M373 HydrophobicContact CE2-CE 3.42Å; F295-M373 VanDerWaalsContact CE2-CE 3.42Å; F295-M373 HydrophobicContact CE2-SD 4.18Å; F295-M373 HydrophobicContact CZ-CE 4.03Å; F295-M373 HydrophobicContact CZ-SD 4.23Å
296	T	83.6	Confident	80.2	Confident	9 Å²	9	36.7 Å²	36.7	6%	0.055	19%	0.19	C	C	.	.	S	Bend	trans	-127.4	45.2	171.7	58.4	0	0	0	0	113.8	D293 G298 F299 E455	D293-T296 PolarHBondContact O-N 2.02Å; T296-G298 PolarHBondContact O-N 3.21Å; T296-G298 VanDerWaalsContact O-N 3.09Å; T296-F299 VanDerWaalsContact CA-CZ 3.49Å; T296-F299 VanDerWaalsContact CB-O 3.28Å; T296-F299 WeakPolarHBondContact CB-O 3.14Å; T296-F299 HydrophobicContact CG2-CD2 4.34Å; T296-F299 HydrophobicContact CG2-CE2 3.59Å; T296-F299 HydrophobicContact CG2-CZ 3.85Å; T296-F299 PolarHBondContact O-N 3.12Å; T296-F299 VanDerWaalsContact O-N 3.16Å; T296-F299 PolarHBondContact OG1-O 3.31Å; T296-E455 PolarHBondContact OG1-OE2 3.47Å
297	P	82.6	Confident	78.4	Confident	13 Å²	13	42.1 Å²	42.1	8%	0.084	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	114.2	-170.9	28.1	-37.1	0	0	0	113.1	I310 M689	P297-I310 WeakPolarHBondContact CD-O 3.4Å; P297-M689 VanDerWaalsContact O-CE 3.27Å; P297-M689 WeakPolarHBondContact O-CE 3.14Å; P297-M689 VanDerWaalsContact O-SD 3.34Å
298	G	78	Confident	76.9	Confident	17 Å²	17	47 Å²	47	18%	0.175	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	8	177.6	0	0	0	0	0	115.1	T296 E458	T296-G298 PolarHBondContact O-N 3.21Å; T296-G298 VanDerWaalsContact O-N 3.09Å; G298-E458 WeakPolarHBondContact CA-OE1 3.23Å; G298-E458 PolarHBondContact N-OE1 3.05Å
299	F	80.6	Confident	75.9	Confident	45 Å²	45	50.7 Å²	50.7	20%	0.197	27%	0.269	C	S	.	.	S	Bend	trans	-150.8	130.5	175.6	63	-81.7	0	0	0	110.8	T296 F302 I310 E458 M689	T296-F299 VanDerWaalsContact CA-CZ 3.49Å; T296-F299 VanDerWaalsContact CB-O 3.28Å; T296-F299 WeakPolarHBondContact CB-O 3.14Å; T296-F299 HydrophobicContact CG2-CD2 4.34Å; T296-F299 HydrophobicContact CG2-CE2 3.59Å; T296-F299 HydrophobicContact CG2-CZ 3.85Å; T296-F299 PolarHBondContact O-N 3.12Å; T296-F299 VanDerWaalsContact O-N 3.16Å; T296-F299 PolarHBondContact OG1-O 3.31Å; F299-F302 HydrophobicContact CD2-CD2 4.18Å; F299-F302 HydrophobicContact CD2-CE2 4.02Å; F299-I310 HydrophobicContact CE1-CD1 4.24Å; F299-I310 HydrophobicContact CZ-CD1 4.19Å; F299-E458 WeakPolarHBondContact CA-OE2 3.23Å; F299-E458 PolarHBondContact N-OE2 2.96Å; F299-E458 VanDerWaalsContact O-OE2 3.11Å; F299-M689 HydrophobicContact CD1-CE 3.65Å; F299-M689 HydrophobicContact CD1-SD 4.16Å; F299-M689 HydrophobicContact CE1-CE 3.67Å
300	P	80.3	Confident	75.3	Confident	27 Å²	27	53.4 Å²	53.4	18%	0.175	28%	0.283	C	S	.	.			trans	-61.2	142.8	-168.7	28.4	-37.5	0	0	0	112.2	F302 E458 V459	P300-F302 HydrophobicContact CG-CZ 4.15Å; P300-F302 WeakPolarHBondContact O-CD2 3.31Å; P300-F302 WeakPolarHBondContact O-CE2 3.19Å; P300-F302 PolarHBondContact O-N 2.84Å; P300-E458 HydrophobicContact CB-CB 4.24Å; P300-V459 HydrophobicContact CB-CG2 3.53Å; P300-V459 HydrophobicContact CG-CG2 3.83Å
301	S	71.9	Confident	75	Confident	20 Å²	20	57.5 Å²	57.5	14%	0.14	31%	0.309	C	S	.	.			trans	-56.4	132.7	-174.2	84.1	0	0	0	0	112.9	D161 E455	D161-S301 VanDerWaalsContact O-CB 3.3Å; D161-S301 WeakPolarHBondContact O-CB 3.16Å; D161-S301 PolarHBondContact O-OG 3.35Å; S301-E455 WeakPolarHBondContact CB-OE2 3.46Å; S301-E455 PolarHBondContact N-OE2 3.19Å
302	F	68.6	Low	74.7	Confident	100 Å²	100	57.4 Å²	57.4	44%	0.439	31%	0.308	S	S	.	.			trans	-115.6	156.3	177.2	-61.4	-62.2	0	0	0	109.8	F299 P300 L304 F307	F299-F302 HydrophobicContact CD2-CD2 4.18Å; F299-F302 HydrophobicContact CD2-CE2 4.02Å; P300-F302 HydrophobicContact CG-CZ 4.15Å; P300-F302 WeakPolarHBondContact O-CD2 3.31Å; P300-F302 WeakPolarHBondContact O-CE2 3.19Å; P300-F302 PolarHBondContact O-N 2.84Å; F302-L304 PolarHBondContact O-N 3.05Å; F302-F307 HydrophobicContact CB-CD2 4.33Å; F302-F307 HydrophobicContact CD2-CD2 4.22Å; F302-F307 HydrophobicContact CD2-CE2 4.2Å
303	N	62	Low	74.4	Confident	85 Å²	85	62 Å²	62	46%	0.455	34%	0.34	S	S	.	.			trans	-54.7	115.3	175.9	-170.9	-84.5	0	0	0	110.9	D161 S305 R306	D161-N303 PolarHBondContact OD2-ND2 2.65Å; N303-S305 PolarHBondContact O-N 2.86Å; N303-S305 PolarHBondContact OD1-OG 2.83Å; N303-R306 PolarHBondContact O-N 2.83Å; N303-R306 VanDerWaalsContact O-N 3.09Å
304	L	54.8	Low	74.3	Confident	58 Å²	58	62.1 Å²	62.1	30%	0.304	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	-163.3	-61.7	153.8	0	0	0	114.3	M163 F302 R306	M163-L304 HydrophobicContact CG-CD1 3.58Å; M163-L304 HydrophobicContact CG-CD2 4.03Å; M163-L304 HydrophobicContact CG-CG 4.47Å; M163-L304 HydrophobicContact SD-CD1 3.37Å; M163-L304 WeakPolarHBondContact SD-CD1 3.43Å; F302-L304 PolarHBondContact O-N 3.05Å; L304-R306 PolarHBondContact O-N 2.77Å; L304-R306 VanDerWaalsContact O-N 3.15Å
305	S	55.1	Low	74.5	Confident	100 Å²	100	64 Å²	64	70%	0.699	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.9	171.5	64.7	0	0	0	0	114.3	N303	N303-S305 PolarHBondContact O-N 2.86Å; N303-S305 PolarHBondContact OD1-OG 2.83Å
306	R	55.6	Low	74.9	Confident	203 Å²	203	63 Å²	63	77%	0.766	35%	0.35	S	S	*	.	S	Bend	trans	-111.4	-20.8	-173.8	-63.9	-173.8	176.9	-171.7	-0.5	115.9	N303 L304	N303-R306 PolarHBondContact O-N 2.83Å; N303-R306 VanDerWaalsContact O-N 3.09Å; L304-R306 PolarHBondContact O-N 2.77Å; L304-R306 VanDerWaalsContact O-N 3.15Å
307	F	58.8	Low	75.5	Confident	124 Å²	124	69.3 Å²	69.3	54%	0.544	38%	0.382	S	S	.	.	S	Bend	trans	-140.4	136.5	-178.3	-68.2	-75.8	0	0	0	110.7	F302	F302-F307 HydrophobicContact CB-CD2 4.33Å; F302-F307 HydrophobicContact CD2-CD2 4.22Å; F302-F307 HydrophobicContact CD2-CE2 4.2Å
308	P	64.6	Low	76.2	Confident	105 Å²	105	69.4 Å²	69.4	68%	0.682	38%	0.382	S	S	*	.			trans	-66.7	138.5	171.2	29.7	-33.5	0	0	0	109.7
309	P	73.4	Confident	77.2	Confident	78 Å²	78	69.2 Å²	69.2	51%	0.506	38%	0.377	S	S	.	.			trans	-63.1	136.1	179.5	25.4	-34	0	0	0	111.2	F295 P311	F295-P309 HydrophobicContact CB-CB 3.72Å; F295-P309 HydrophobicContact CD1-CB 3.88Å; F295-P309 HydrophobicContact CG-CB 4.11Å; P309-P311 WeakPolarHBondContact O-CD 3.47Å
310	I	78.8	Confident	78	Confident	86 Å²	86	67 Å²	67	44%	0.441	37%	0.368	S	S	.	.			trans	-105.8	100	178.7	-57.9	180	0	0	0	107.7	F295 P297 F299 S312	F295-I310 CarbonylContact C-O 3.58Å; F295-I310 WeakPolarHBondContact CA-O 3.47Å; F295-I310 PolarHBondContact O-N 3.14Å; P297-I310 WeakPolarHBondContact CD-O 3.4Å; F299-I310 HydrophobicContact CE1-CD1 4.24Å; F299-I310 HydrophobicContact CZ-CD1 4.19Å; I310-S312 PolarHBondContact O-N 3.47Å
311	P	83.5	Confident	78.8	Confident	89 Å²	89	65.9 Å²	65.9	58%	0.578	36%	0.36	S	S	*	.			trans	-64.4	125.1	-175.6	25.8	-33.9	0	0	0	111.4	F295 P309 L315	F295-P311 HydrophobicContact CD1-CB 4.42Å; F295-P311 HydrophobicContact CE1-CB 4.37Å; P309-P311 WeakPolarHBondContact O-CD 3.47Å; P311-L315 HydrophobicContact CB-CD1 3.91Å
312	S	83.8	Confident	80.1	Confident	11 Å²	11	65 Å²	65	8%	0.077	35%	0.354	C	S	.	.			trans	-58.5	136.6	176.1	179	0	0	0	0	111	H288 P294 I310 G314 L315	H288-S312 PolarHBondContact NE2-OG 3.48Å; P294-S312 WeakPolarHBondContact O-CB 3.45Å; P294-S312 PolarHBondContact O-N 2.78Å; I310-S312 PolarHBondContact O-N 3.47Å; S312-G314 PolarHBondContact O-N 3.44Å; S312-G314 PolarHBondContact OG-N 2.83Å; S312-L315 WeakPolarHBondContact O-CB 3.44Å; S312-L315 PolarHBondContact O-N 2.99Å
313	S	82.1	Confident	81.5	Confident	95 Å²	95	60.3 Å²	60.3	66%	0.664	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-2.3	173.2	58.3	0	0	0	0	114.2
314	G	87.6	Confident	83.2	Confident	7 Å²	7	56.8 Å²	56.8	7%	0.072	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.5	169.5	0	0	0	0	0	114.6	L289 S312	L289-G314 PolarHBondContact N-O 3.16Å; S312-G314 PolarHBondContact O-N 3.44Å; S312-G314 PolarHBondContact OG-N 2.83Å
315	L	92.7	Very high	85.1	Confident	38 Å²	38	54.1 Å²	54.1	20%	0.199	30%	0.302	C	S	.	.	S	Bend	trans	-71.9	131.4	172.9	-74.3	174	0	0	0	110.2	Y198 P294 F295 P311 S312	Y198-L315 HydrophobicContact CD1-CD2 4.35Å; Y198-L315 HydrophobicContact CG-CD2 4.25Å; P294-L315 HydrophobicContact CB-CD1 4.12Å; P294-L315 HydrophobicContact CB-CD2 3.67Å; P294-L315 HydrophobicContact CB-CG 3.88Å; P294-L315 HydrophobicContact CG-CD2 4.06Å; F295-L315 HydrophobicContact CE1-CD1 3.93Å; F295-L315 HydrophobicContact CZ-CD1 3.97Å; P311-L315 HydrophobicContact CB-CD1 3.91Å; S312-L315 WeakPolarHBondContact O-CB 3.44Å; S312-L315 PolarHBondContact O-N 2.99Å
316	P	95.1	Very high	87.1	Confident	14 Å²	14	52 Å²	52	9%	0.091	29%	0.285	C	S	.	.			trans	-72.5	145.4	178.1	30.8	-35.1	0	0	0	111.5	Y198 V248 V287	Y198-P316 VanDerWaalsContact O-CD 3.32Å; Y198-P316 WeakPolarHBondContact O-CD 3.47Å; Y198-P316 VanDerWaalsContact O-CG 3.31Å; Y198-P316 WeakPolarHBondContact O-CG 3.25Å; V248-P316 HydrophobicContact CG1-CB 3.54Å; V248-P316 HydrophobicContact CG1-CG 4.26Å; V287-P316 HydrophobicContact CB-CG 4.36Å; V287-P316 HydrophobicContact CG2-CG 3.87Å
317	L	95.7	Very high	89.1	Confident	140 Å²	140	42.7 Å²	42.7	73%	0.733	25%	0.25	S	C	*	.	S	Bend	trans	-89.6	-7.9	174.1	-58.6	-179.5	0	0	0	112.7	E252	E252-L317 PolarHBondContact OE2-N 3.2Å
318	I	97.7	Very high	90.9	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.077	22%	0.224	C	C	.	.	S	Bend	trans	-112.8	144	-175.8	69.2	170	0	0	0	112.4	V248 A251 E252 G256 A320	V248-I318 HydrophobicContact CG1-CD1 4.05Å; V248-I318 HydrophobicContact CG1-CG1 3.69Å; A251-I318 HydrophobicContact CB-CD1 4.14Å; E252-I318 HydrophobicContact CB-CD1 3.84Å; E252-I318 HydrophobicContact CB-CG1 4.12Å; E252-I318 HydrophobicContact CB-CG2 4.21Å; E252-I318 HydrophobicContact CG-CG2 3.96Å; G256-I318 WeakPolarHBondContact O-CG2 3.41Å; I318-A320 PolarHBondContact O-N 3.32Å
319	P	97.9	Very high	92.4	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.084	20%	0.195	C	C	.	.			trans	-67.3	130.3	177.3	25.9	-33.9	0	0	0	111.2	G257 G258 A259 L367 V369	G257-P319 WeakPolarHBondContact O-CD 3.38Å; G258-P319 CarbonylContact C-O 3.42Å; G258-P319 WeakPolarHBondContact CA-O 3.37Å; A259-P319 PolarHBondContact N-O 2.95Å; P319-L367 HydrophobicContact CB-CD2 4.01Å; P319-L367 HydrophobicContact CB-CG 4.46Å; P319-L367 HydrophobicContact CG-CD2 4.09Å; P319-V369 HydrophobicContact CB-CB 4Å; P319-V369 HydrophobicContact CB-CG2 3.7Å
320	A	98.1	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.4	180	0	0	0	0	0	110.8	S199 V248 A259 V287 I318	S199-A320 WeakPolarHBondContact CB-O 3.47Å; S199-A320 PolarHBondContact OG-N 3.37Å; S199-A320 PolarHBondContact OG-O 3.32Å; V248-A320 HydrophobicContact CG1-CB 4.15Å; V248-A320 HydrophobicContact CG2-CB 3.56Å; A259-A320 HydrophobicContact CB-CB 4.19Å; A259-A320 WeakPolarHBondContact O-CA 3.41Å; V287-A320 HydrophobicContact CG1-CB 4.14Å; V287-A320 HydrophobicContact CG2-CB 4.35Å; I318-A320 PolarHBondContact O-N 3.32Å
321	L	97.9	Very high	94.2	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131	-177.7	-172.1	77.7	0	0	0	110.9	L190 A259 L260 I261 I323 L367 V369	L190-L321 HydrophobicContact CD1-CD2 3.7Å; L190-L321 HydrophobicContact CD2-CD2 4.27Å; A259-L321 PolarHBondContact O-N 3.17Å; L260-L321 WeakPolarHBondContact CA-O 3.3Å; L260-L321 HydrophobicContact CD2-CB 3.97Å; L260-L321 HydrophobicContact CD2-CD2 4.4Å; I261-L321 PolarHBondContact N-O 3.41Å; I261-L321 VanDerWaalsContact N-O 3.15Å; L321-I323 HydrophobicContact CD2-CG2 4.03Å; L321-I323 HydrophobicContact CG-CG2 4.35Å; L321-L367 HydrophobicContact CB-CD1 4Å; L321-L367 HydrophobicContact CD2-CD1 3.78Å; L321-L367 HydrophobicContact CG-CD1 4.46Å; L321-V369 HydrophobicContact CB-CG2 4.29Å; L321-V369 HydrophobicContact CD1-CG2 4.5Å
322	P	97.6	Very high	94.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.9	170.3	33.9	-28.8	0	0	0	108.6	D194 C196 F244 I261 A282 V283	D194-P322 HydrophobicContact CB-CG 4.31Å; C196-P322 VanDerWaalsContact SG-CD 3.53Å; F244-P322 HydrophobicContact CE2-CB 4.36Å; I261-P322 WeakPolarHBondContact O-CA 3.41Å; A282-P322 HydrophobicContact CB-CB 4.1Å; V283-P322 WeakPolarHBondContact O-CB 3.47Å
323	I	98.1	Very high	95.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.152	C	C	.	.			trans	-129	150.3	-178.3	60.8	165.9	0	0	0	111.4	L190 L260 I261 Y262 P263 L321 V327 A328 L331	L190-I323 HydrophobicContact CD2-CG2 4.42Å; L260-I323 HydrophobicContact CB-CD1 3.94Å; L260-I323 HydrophobicContact CB-CG1 4.37Å; L260-I323 HydrophobicContact CD1-CD1 4.45Å; L260-I323 HydrophobicContact CD2-CG2 4.1Å; I261-I323 PolarHBondContact O-N 2.9Å; Y262-I323 WeakPolarHBondContact CA-O 3.24Å; P263-I323 VanDerWaalsContact CD-O 3.25Å; P263-I323 WeakPolarHBondContact CD-O 3.37Å; L321-I323 HydrophobicContact CD2-CG2 4.03Å; L321-I323 HydrophobicContact CG-CG2 4.35Å; I323-V327 HydrophobicContact CB-CB 4.15Å; I323-V327 HydrophobicContact CB-CG1 3.84Å; I323-V327 HydrophobicContact CD1-CG1 3.97Å; I323-V327 HydrophobicContact CG1-CG1 4.46Å; I323-V327 HydrophobicContact CG2-CG1 4.05Å; I323-A328 HydrophobicContact CD1-CB 4.04Å; I323-L331 HydrophobicContact CD1-CD1 4.04Å
324	T	97.4	Very high	95.7	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	13%	0.132	C	C	.	.			trans	-70.9	157	179.8	75.9	0	0	0	0	111.3	A279 H280 A282 T326 V327 A328	A279-T324 WeakPolarHBondContact O-CB 3.42Å; A279-T324 PolarHBondContact O-OG1 2.93Å; H280-T324 VanDerWaalsContact C-CG2 3.42Å; H280-T324 WeakPolarHBondContact O-CG2 3.48Å; A282-T324 HydrophobicContact CB-CG2 4.39Å; T324-T326 PolarHBondContact O-N 2.9Å; T324-T326 PolarHBondContact OG1-N 3.45Å; T324-V327 PolarHBondContact O-N 3.47Å; T324-V327 WeakPolarHBondContact OG1-CG2 3.26Å; T324-V327 PolarHBondContact OG1-N 3.41Å; T324-V327 VanDerWaalsContact OG1-N 3.14Å; T324-A328 PolarHBondContact O-N 2.9Å
325	A	96.4	Very high	96	Very high	3 Å²	3	24 Å²	24	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-55.8	-34.8	173.5	0	0	0	0	0	112.3	P263 A279 A329 L348	P263-A325 WeakPolarHBondContact O-CB 3.48Å; A279-A325 HydrophobicContact CB-CB 4.27Å; A279-A325 PolarHBondContact O-N 2.64Å; A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 3.02Å; A325-L348 HydrophobicContact CB-CD2 4.03Å; A325-L348 WeakPolarHBondContact O-CD2 3.38Å
326	T	96.3	Very high	96	Very high	56 Å²	56	24.3 Å²	24.3	34%	0.344	14%	0.138	S	C	.	.	H	α-helix	trans	-65.6	-42.2	175.2	-57.8	0	0	0	0	112.3	A279 H280 T324 A329 K330	A279-T326 VanDerWaalsContact O-CB 3.32Å; A279-T326 WeakPolarHBondContact O-CB 3.36Å; A279-T326 PolarHBondContact O-N 3.04Å; A279-T326 PolarHBondContact O-OG1 3.33Å; H280-T326 PolarHBondContact CE1-OG1 2.98Å; H280-T326 PolarHBondContact ND1-OG1 3.47Å; T324-T326 PolarHBondContact O-N 2.9Å; T324-T326 PolarHBondContact OG1-N 3.45Å; T326-A329 PolarHBondContact O-N 3.2Å; T326-K330 WeakPolarHBondContact O-CB 3.19Å; T326-K330 PolarHBondContact O-N 3.17Å
327	V	96.9	Very high	95.8	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.036	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-44.6	176.8	169.2	0	0	0	0	110.5	L175 I188 L190 I323 T324 A329 K330 L331	L175-V327 HydrophobicContact CD2-CG1 3.95Å; I188-V327 HydrophobicContact CG2-CB 4.37Å; I188-V327 HydrophobicContact CG2-CG1 3.86Å; I188-V327 HydrophobicContact CG2-CG2 3.76Å; L190-V327 HydrophobicContact CD2-CG2 4.39Å; I323-V327 HydrophobicContact CB-CB 4.15Å; I323-V327 HydrophobicContact CB-CG1 3.84Å; I323-V327 HydrophobicContact CD1-CG1 3.97Å; I323-V327 HydrophobicContact CG1-CG1 4.46Å; I323-V327 HydrophobicContact CG2-CG1 4.05Å; T324-V327 PolarHBondContact O-N 3.47Å; T324-V327 WeakPolarHBondContact OG1-CG2 3.26Å; T324-V327 PolarHBondContact OG1-N 3.41Å; T324-V327 VanDerWaalsContact OG1-N 3.14Å; V327-A329 PolarHBondContact O-N 2.88Å; V327-K330 PolarHBondContact O-N 3.29Å; V327-L331 HydrophobicContact CG1-CD1 4.19Å; V327-L331 WeakPolarHBondContact O-CG 3.24Å; V327-L331 PolarHBondContact O-N 3.13Å
328	A	97.2	Very high	95.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-43.6	174.9	0	0	0	0	0	112.1	Y262 I323 T324 K330 L331 L332 L348	Y262-A328 HydrophobicContact CD1-CB 3.84Å; Y262-A328 HydrophobicContact CD2-CB 3.49Å; Y262-A328 VanDerWaalsContact CD2-CB 3.49Å; Y262-A328 HydrophobicContact CE1-CB 4.32Å; Y262-A328 HydrophobicContact CE2-CB 4.02Å; Y262-A328 HydrophobicContact CG-CB 3.4Å; I323-A328 HydrophobicContact CD1-CB 4.04Å; T324-A328 PolarHBondContact O-N 2.9Å; A328-K330 PolarHBondContact O-N 3.5Å; A328-L331 PolarHBondContact O-N 3.15Å; A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 WeakPolarHBondContact O-CG 3.45Å; A328-L332 PolarHBondContact O-N 2.9Å; A328-L348 HydrophobicContact CB-CD1 3.92Å
329	A	96.4	Very high	95.5	Very high	9 Å²	9	25.7 Å²	25.7	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-42.2	175.3	0	0	0	0	0	112.3	A325 T326 V327 L331 S333 L348 P349 V351	A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 3.02Å; T326-A329 PolarHBondContact O-N 3.2Å; V327-A329 PolarHBondContact O-N 2.88Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 2.79Å; A329-S333 WeakPolarHBondContact O-CB 3.39Å; A329-S333 PolarHBondContact O-N 3.16Å; A329-S333 PolarHBondContact O-OG 3.09Å; A329-L348 HydrophobicContact CB-CB 4.3Å; A329-L348 HydrophobicContact CB-CD2 4.31Å; A329-P349 HydrophobicContact CB-CG 4.37Å; A329-V351 HydrophobicContact CB-CG2 4.16Å
330	K	94.9	Very high	95.3	Very high	64 Å²	64	26 Å²	26	28%	0.278	17%	0.166	S	C	.	.	H	α-helix	trans	-66.3	-33.2	178.6	-174.3	170.5	-175.9	173.2	0	113.3	E186 T326 V327 A328 Q334	E186-K330 IonicContact OE1-NZ 3.87Å; E186-K330 PolarHBondContact OE1-NZ 2.95Å; E186-K330 WeakPolarHBondContact OE2-CE 3.44Å; E186-K330 IonicContact OE2-NZ 2.72Å; E186-K330 PolarHBondContact OE2-NZ 2.76Å; T326-K330 WeakPolarHBondContact O-CB 3.19Å; T326-K330 PolarHBondContact O-N 3.17Å; V327-K330 PolarHBondContact O-N 3.29Å; A328-K330 PolarHBondContact O-N 3.5Å; K330-Q334 PolarHBondContact O-NE2 3.32Å
331	L	94.5	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-73.9	-58.3	173.6	-68.1	171.6	0	0	0	111.2	L175 I188 L260 I323 V327 A328 A329 S333 Q334 V365	L175-L331 HydrophobicContact CD2-CD1 4.25Å; I188-L331 HydrophobicContact CD1-CD2 3.58Å; I188-L331 HydrophobicContact CD1-CG 4.23Å; L260-L331 HydrophobicContact CD1-CD1 3.87Å; I323-L331 HydrophobicContact CD1-CD1 4.04Å; V327-L331 HydrophobicContact CG1-CD1 4.19Å; V327-L331 WeakPolarHBondContact O-CG 3.24Å; V327-L331 PolarHBondContact O-N 3.13Å; A328-L331 PolarHBondContact O-N 3.15Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 2.79Å; L331-S333 VanDerWaalsContact C-N 3.32Å; L331-S333 PolarHBondContact O-N 3.4Å; L331-Q334 PolarHBondContact O-N 3.5Å; L331-Q334 VanDerWaalsContact O-N 3.13Å; L331-V365 HydrophobicContact CD2-CG2 3.76Å
332	L	95.4	Very high	94.8	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-71.5	-22.9	-169.4	-62.7	176.4	0	0	0	113.6	V208 Y210 V235 Y262 A328 Q334 L335 L348 V351	V208-L332 HydrophobicContact CG1-CD2 4.42Å; Y210-L332 HydrophobicContact CD2-CD1 4.33Å; V235-L332 HydrophobicContact CB-CD2 4.38Å; V235-L332 HydrophobicContact CG1-CD1 4.09Å; V235-L332 HydrophobicContact CG1-CD2 4.16Å; V235-L332 HydrophobicContact CG1-CG 4.4Å; Y262-L332 HydrophobicContact CE1-CD1 4.19Å; A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 WeakPolarHBondContact O-CG 3.45Å; A328-L332 PolarHBondContact O-N 2.9Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 2.67Å; L332-L335 HydrophobicContact CD2-CD2 3.98Å; L332-L335 PolarHBondContact O-N 2.96Å; L332-L348 HydrophobicContact CD1-CD1 3.86Å; L332-V351 HydrophobicContact CB-CG1 3.71Å; L332-V351 HydrophobicContact CB-CG2 4.05Å
333	S	94.2	Very high	94.6	Very high	55 Å²	55	37.2 Å²	37.2	39%	0.385	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.7	173	57.2	0	0	0	0	114.1	A329 L331	A329-S333 WeakPolarHBondContact O-CB 3.39Å; A329-S333 PolarHBondContact O-N 3.16Å; A329-S333 PolarHBondContact O-OG 3.09Å; L331-S333 VanDerWaalsContact C-N 3.32Å; L331-S333 PolarHBondContact O-N 3.4Å
334	Q	92.3	Very high	94.5	Very high	52 Å²	52	37.8 Å²	37.8	24%	0.243	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-2.3	177.4	-63.6	-175.6	80.6	0	0	113.3	K330 L331 L332 F359 G360	K330-Q334 PolarHBondContact O-NE2 3.32Å; L331-Q334 PolarHBondContact O-N 3.5Å; L331-Q334 VanDerWaalsContact O-N 3.13Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 2.67Å; Q334-F359 HydrophobicContact CB-CD1 3.9Å; Q334-F359 HydrophobicContact CB-CE1 4.29Å; Q334-G360 PolarHBondContact O-N 3.46Å
335	L	93.1	Very high	94.3	Very high	16 Å²	16	46 Å²	46	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	152	-176.7	-163.4	68	0	0	0	111.2	V208 L332 V354 D358 F359	V208-L335 HydrophobicContact CB-CD1 4.08Å; V208-L335 HydrophobicContact CG1-CD1 4.25Å; V208-L335 HydrophobicContact CG1-CD2 4.37Å; V208-L335 VanDerWaalsContact O-CD1 3.22Å; V208-L335 WeakPolarHBondContact O-CD1 3.4Å; L332-L335 HydrophobicContact CD2-CD2 3.98Å; L332-L335 PolarHBondContact O-N 2.96Å; L335-V354 HydrophobicContact CB-CG2 3.93Å; L335-V354 HydrophobicContact CD2-CG2 4.23Å; L335-V354 HydrophobicContact CG-CG2 4.12Å; L335-D358 WeakPolarHBondContact CD1-O 3.24Å; L335-F359 HydrophobicContact CD1-CE1 4.41Å; L335-F359 HydrophobicContact CD1-CE2 4.31Å; L335-F359 HydrophobicContact CD1-CZ 4.24Å
336	S	92.2	Very high	94.2	Very high	44 Å²	44	46.8 Å²	46.8	31%	0.308	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.3	-178.6	56.1	0	0	0	0	110.6	G356 D358	S336-G356 CarbonylContact O-C 3.54Å; S336-G356 VanDerWaalsContact O-CA 3.26Å; S336-G356 WeakPolarHBondContact O-CA 3.28Å; S336-D358 WeakPolarHBondContact CA-O 3.41Å; S336-D358 PolarHBondContact N-O 2.9Å; S336-D358 PolarHBondContact O-N 3.01Å; S336-D358 VanDerWaalsContact O-O 3.11Å; S336-D358 PolarHBondContact OG-O 3.28Å
337	G	90.6	Very high	94.1	Very high	44 Å²	44	52.5 Å²	52.5	45%	0.454	30%	0.297	S	S	.	.	S	Bend	trans	134.5	-164.5	-169.9	0	0	0	0	0	111.5
338	P	93.3	Very high	94	Very high	54 Å²	54	52.9 Å²	52.9	35%	0.351	30%	0.299	S	S	.	.	S	Bend	trans	-62.6	149.6	-179.4	-21.2	33.3	0	0	0	112.8	V227 V354 L355 G356	V227-P338 HydrophobicContact CG2-CG 3.99Å; P338-V354 CarbonylContact O-C 3.52Å; P338-V354 VanDerWaalsContact O-CA 3.32Å; P338-V354 WeakPolarHBondContact O-CA 2.96Å; P338-L355 HydrophobicContact CB-CD1 4.23Å; P338-L355 PolarHBondContact O-N 2.97Å; P338-G356 WeakPolarHBondContact CD-O 3.42Å
339	P	94.3	Very high	93.7	Very high	101 Å²	101	56.4 Å²	56.4	66%	0.656	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-69	148.3	173.3	30.5	-35	0	0	0	111.5
340	C	93.6	Very high	93.5	Very high	18 Å²	18	66.6 Å²	66.6	12%	0.122	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-80.3	163.1	174.5	93	0	0	0	0	111.9	W344 C353 L355	C340-W344 HydrophobicContact CB-CB 4.16Å; C340-W344 HydrophobicContact CB-CE3 4.36Å; C340-C353 HydrophobicContact CB-CB 4.05Å; C340-C353 WeakPolarHBondContact CB-SG 3.38Å; C340-C353 PolarHBondContact N-O 3.21Å; C340-C353 WeakPolarHBondContact SG-CB 3.48Å; C340-C353 CovalentContact SG-SG 2.02Å; C340-C353 PolarHBondContact SG-SG 3.39Å; C340-L355 HydrophobicContact CB-CD2 3.66Å; C340-L355 HydrophobicContact CB-CG 4.4Å
341	P	94.1	Very high	93.4	Very high	22 Å²	22	65.2 Å²	65.2	14%	0.143	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-59.9	147	169.5	-22.7	34.5	0	0	0	112.3	W221 S343 W344	W221-P341 HydrophobicContact CD2-CG 4.17Å; W221-P341 HydrophobicContact CE3-CG 4.11Å; W221-P341 VanDerWaalsContact CH2-CD 3.44Å; W221-P341 HydrophobicContact CH2-CG 3.48Å; W221-P341 VanDerWaalsContact CH2-CG 3.48Å; W221-P341 HydrophobicContact CZ2-CG 3.5Å; W221-P341 HydrophobicContact CZ3-CG 3.77Å; P341-S343 PolarHBondContact O-N 3.47Å; P341-S343 VanDerWaalsContact O-N 3.07Å; P341-W344 HydrophobicContact CB-CG 4.15Å; P341-W344 HydrophobicContact CG-CD2 4Å; P341-W344 HydrophobicContact CG-CG 3.95Å; P341-W344 WeakPolarHBondContact O-CB 3.42Å; P341-W344 PolarHBondContact O-N 3.46Å
342	P	92.6	Very high	93.2	Very high	125 Å²	125	75.3 Å²	75.3	81%	0.812	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-55	-30.9	177	-28	35.8	0	0	0	114.5	W344 R345	P342-W344 VanDerWaalsContact C-N 3.33Å; P342-R345 WeakPolarHBondContact O-CB 3.16Å; P342-R345 PolarHBondContact O-N 2.8Å
343	S	92.9	Very high	93	Very high	94 Å²	94	76.4 Å²	76.4	66%	0.657	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-68.9	-25.5	175.6	48.8	0	0	0	0	114.2	P341 R345	P341-S343 PolarHBondContact O-N 3.47Å; P341-S343 VanDerWaalsContact O-N 3.07Å; S343-R345 VanDerWaalsContact C-N 3.28Å; S343-R345 PolarHBondContact O-N 2.75Å
344	W	95.2	Very high	93.1	Very high	13 Å²	13	75 Å²	75	5%	0.049	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-82.4	-6.6	-179.7	-73.4	21.5	0	0	0	113.1	Y210 H212 D218 W221 L222 R237 C340 P341 P342 G346 L355	Y210-W344 HydrophobicContact CD1-CE3 4.35Å; Y210-W344 HydrophobicContact CE1-CB 4.25Å; Y210-W344 HydrophobicContact CE1-CE3 4.19Å; Y210-W344 PolarHBondContact OH-O 3.37Å; H212-W344 HydrophobicContact CB-CD2 3.5Å; H212-W344 HydrophobicContact CB-CE3 3.65Å; H212-W344 HydrophobicContact CB-CG 3.94Å; H212-W344 HydrophobicContact CB-CH2 4Å; H212-W344 HydrophobicContact CB-CZ2 3.92Å; H212-W344 HydrophobicContact CB-CZ3 3.88Å; H212-W344 AromaticContact CD2-CD1 3.83Å; H212-W344 AromaticContact CD2-CG 3.76Å; H212-W344 AromaticContact CE1-CD1 3.52Å; H212-W344 AromaticContact CE1-NE1 3.71Å; H212-W344 AromaticContact CG-CD1 3.7Å; H212-W344 AromaticContact CG-CD2 3.77Å; H212-W344 AromaticContact CG-CE2 3.81Å; H212-W344 AromaticContact CG-CG 3.7Å; H212-W344 AromaticContact CG-NE1 3.78Å; H212-W344 AromaticContact ND1-CD1 3.52Å; H212-W344 AromaticContact ND1-CE2 3.73Å; H212-W344 AromaticContact ND1-CG 4Å; H212-W344 AromaticContact ND1-NE1 3.35Å; H212-W344 PolarHBondContact ND1-NE1 3.48Å; H212-W344 AromaticContact NE2-CD1 3.73Å; D218-W344 HydrophobicContact CB-CH2 3.97Å; D218-W344 HydrophobicContact CB-CZ2 3.82Å; D218-W344 WeakPolarHBondContact OD1-CZ2 3.48Å; W221-W344 HydrophobicContact CB-CZ2 4.44Å; W221-W344 HydrophobicContact CD2-CZ2 4.3Å; W221-W344 AromaticContact CE3-CH2 3.61Å; W221-W344 HydrophobicContact CE3-CH2 3.61Å; W221-W344 AromaticContact CE3-CZ2 3.69Å; W221-W344 HydrophobicContact CE3-CZ2 3.69Å; W221-W344 HydrophobicContact CE3-CZ3 4.08Å; W221-W344 HydrophobicContact CZ3-CE3 4.47Å; W221-W344 HydrophobicContact CZ3-CH2 4.18Å; W221-W344 HydrophobicContact CZ3-CZ2 4.45Å; W221-W344 HydrophobicContact CZ3-CZ3 4.17Å; L222-W344 HydrophobicContact CD2-CH2 4.04Å; L222-W344 HydrophobicContact CD2-CZ3 3.89Å; L222-W344 HydrophobicContact CG-CH2 3.96Å; L222-W344 HydrophobicContact CG-CZ3 4.29Å; R237-W344 PolarHBondContact NH1-O 3.48Å; C340-W344 HydrophobicContact CB-CB 4.16Å; C340-W344 HydrophobicContact CB-CE3 4.36Å; P341-W344 HydrophobicContact CB-CG 4.15Å; P341-W344 HydrophobicContact CG-CD2 4Å; P341-W344 HydrophobicContact CG-CG 3.95Å; P341-W344 WeakPolarHBondContact O-CB 3.42Å; P341-W344 PolarHBondContact O-N 3.46Å; P342-W344 VanDerWaalsContact C-N 3.33Å; W344-G346 PolarHBondContact O-N 3.38Å; W344-G346 VanDerWaalsContact O-N 3.13Å; W344-L355 HydrophobicContact CE3-CD2 3.81Å; W344-L355 HydrophobicContact CZ3-CD2 3.74Å
345	R	94.1	Very high	93.2	Very high	183 Å²	183	72.5 Å²	72.5	69%	0.691	38%	0.38	S	S	*	.			trans	-70.4	106.7	-174.8	-175	175.8	-180	175.3	0.2	111.7	P342 S343 C353	P342-R345 WeakPolarHBondContact O-CB 3.16Å; P342-R345 PolarHBondContact O-N 2.8Å; S343-R345 VanDerWaalsContact C-N 3.28Å; S343-R345 PolarHBondContact O-N 2.75Å; R345-C353 HydrophobicContact CB-CB 4.43Å; R345-C353 HydrophobicContact CG-CB 4.38Å
346	G	93.4	Very high	93.2	Very high	19 Å²	19	71.8 Å²	71.8	20%	0.196	38%	0.376	C	S	.	.			trans	-70.1	-177.6	167.4	0	0	0	0	0	113.6	D264 W344	D264-G346 VanDerWaalsContact OD1-CA 3.29Å; D264-G346 WeakPolarHBondContact OD1-CA 3.42Å; D264-G346 WeakPolarHBondContact OD2-CA 3.44Å; W344-G346 PolarHBondContact O-N 3.38Å; W344-G346 VanDerWaalsContact O-N 3.13Å
347	R	94.4	Very high	93.1	Very high	177 Å²	177	71.1 Å²	71.1	67%	0.668	37%	0.371	S	S	*	.			trans	-111.5	18.3	179.2	-71.1	-179	-172.2	161.1	-1	113.8	D264 P265 A266	D264-R347 PolarHBondContact OD1-N 2.89Å; P265-R347 HydrophobicContact CB-CB 3.88Å; P265-R347 HydrophobicContact CG-CB 4.44Å; A266-R347 HydrophobicContact CB-CB 4.27Å; A266-R347 HydrophobicContact CB-CG 3.95Å
348	L	95	Very high	93	Very high	14 Å²	14	73.7 Å²	73.7	7%	0.073	37%	0.374	C	S	.	.			trans	-56.7	136.8	171.8	-68.9	177.4	0	0	0	111.9	Y262 P265 A325 A328 A329 L332 V351	Y262-L348 HydrophobicContact CD2-CD1 4.33Å; Y262-L348 HydrophobicContact CD2-CD2 4.31Å; Y262-L348 HydrophobicContact CE2-CD1 3.53Å; Y262-L348 HydrophobicContact CE2-CD2 3.89Å; Y262-L348 HydrophobicContact CE2-CG 3.82Å; P265-L348 HydrophobicContact CG-CD2 4.2Å; A325-L348 HydrophobicContact CB-CD2 4.03Å; A325-L348 WeakPolarHBondContact O-CD2 3.38Å; A328-L348 HydrophobicContact CB-CD1 3.92Å; A329-L348 HydrophobicContact CB-CB 4.3Å; A329-L348 HydrophobicContact CB-CD2 4.31Å; L332-L348 HydrophobicContact CD1-CD1 3.86Å; L348-V351 HydrophobicContact CB-CB 4.02Å; L348-V351 HydrophobicContact CB-CG2 3.59Å; L348-V351 HydrophobicContact CD1-CG2 4.07Å
349	P	92	Very high	92.7	Very high	74 Å²	74	71.3 Å²	71.3	48%	0.481	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	141.7	-179.6	30.3	-35.8	0	0	0	111.2	A329 V351	A329-P349 HydrophobicContact CB-CG 4.37Å; P349-V351 PolarHBondContact O-N 2.83Å
350	Y	91.6	Very high	91.6	Very high	223 Å²	223	68.2 Å²	68.2	88%	0.875	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	2	178.2	-44	-70.9	0	0	0	116.7
351	V	93.1	Very high	90.7	Very high	34 Å²	34	72.2 Å²	72.2	21%	0.206	37%	0.373	C	S	.	.			trans	-80	130.8	176.7	176.6	0	0	0	0	111.1	A329 L332 L348 P349	A329-V351 HydrophobicContact CB-CG2 4.16Å; L332-V351 HydrophobicContact CB-CG1 3.71Å; L332-V351 HydrophobicContact CB-CG2 4.05Å; L348-V351 HydrophobicContact CB-CB 4.02Å; L348-V351 HydrophobicContact CB-CG2 3.59Å; L348-V351 HydrophobicContact CD1-CG2 4.07Å; P349-V351 PolarHBondContact O-N 2.83Å
352	R	90.9	Very high	90.1	Very high	212 Å²	212	73 Å²	73	80%	0.8	39%	0.386	S	S	*	.			trans	-90.8	133.9	160.7	-63.5	-178.2	-177.5	-174.3	1.1	107.6	V354	R352-V354 HydrophobicContact CB-CG1 4.47Å; R352-V354 PolarHBondContact O-N 3Å
353	C	91.1	Very high	90	Very high	30 Å²	30	68.9 Å²	68.9	20%	0.203	35%	0.354	C	S	.	.			trans	-79.1	97.3	-178.4	-165.9	0	0	0	0	110.2	C340 R345	C340-C353 HydrophobicContact CB-CB 4.05Å; C340-C353 WeakPolarHBondContact CB-SG 3.38Å; C340-C353 PolarHBondContact N-O 3.21Å; C340-C353 WeakPolarHBondContact SG-CB 3.48Å; C340-C353 CovalentContact SG-SG 2.02Å; C340-C353 PolarHBondContact SG-SG 3.39Å; R345-C353 HydrophobicContact CB-CB 4.43Å; R345-C353 HydrophobicContact CG-CB 4.38Å
354	V	94.8	Very high	90	Very high	26 Å²	26	68.9 Å²	68.9	16%	0.158	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-128.5	157.2	179.1	-62.7	0	0	0	0	109.3	L335 P338 R352	L335-V354 HydrophobicContact CB-CG2 3.93Å; L335-V354 HydrophobicContact CD2-CG2 4.23Å; L335-V354 HydrophobicContact CG-CG2 4.12Å; P338-V354 CarbonylContact O-C 3.52Å; P338-V354 VanDerWaalsContact O-CA 3.32Å; P338-V354 WeakPolarHBondContact O-CA 2.96Å; R352-V354 HydrophobicContact CB-CG1 4.47Å; R352-V354 PolarHBondContact O-N 3Å
355	L	94.5	Very high	90.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.			trans	-90.4	-22.2	-168.7	-58.7	179.1	0	0	0	114.5	V209 Y210 W221 L222 V225 V227 P338 C340 W344	V209-L355 CarbonylContact C-O 3.56Å; V209-L355 VanDerWaalsContact CA-O 3.3Å; V209-L355 WeakPolarHBondContact CA-O 3.34Å; Y210-L355 PolarHBondContact N-O 2.98Å; W221-L355 HydrophobicContact CH2-CD1 3.87Å; W221-L355 HydrophobicContact CZ3-CD1 3.56Å; W221-L355 HydrophobicContact CZ3-CD2 4.08Å; W221-L355 HydrophobicContact CZ3-CG 4.46Å; L222-L355 HydrophobicContact CD2-CB 4.42Å; L222-L355 HydrophobicContact CD2-CD1 4.08Å; L222-L355 HydrophobicContact CD2-CD2 4.01Å; L222-L355 HydrophobicContact CD2-CG 4.4Å; V225-L355 HydrophobicContact CG2-CD1 3.85Å; V227-L355 HydrophobicContact CG1-CB 4.33Å; V227-L355 HydrophobicContact CG2-CB 4.1Å; V227-L355 HydrophobicContact CG2-CD1 3.94Å; P338-L355 HydrophobicContact CB-CD1 4.23Å; P338-L355 PolarHBondContact O-N 2.97Å; C340-L355 HydrophobicContact CB-CD2 3.66Å; C340-L355 HydrophobicContact CB-CG 4.4Å; W344-L355 HydrophobicContact CE3-CD2 3.81Å; W344-L355 HydrophobicContact CZ3-CD2 3.74Å
356	G	92.8	Very high	90.2	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.			trans	90.3	-162.3	-168	0	0	0	0	0	112.7	V208 S336 P338	V208-G356 WeakPolarHBondContact O-CA 3.34Å; S336-G356 CarbonylContact O-C 3.54Å; S336-G356 VanDerWaalsContact O-CA 3.26Å; S336-G356 WeakPolarHBondContact O-CA 3.28Å; P338-G356 WeakPolarHBondContact CD-O 3.42Å
357	P	90.9	Very high	90.4	Very high	31 Å²	31	62 Å²	62	20%	0.201	31%	0.308	C	S	.	.	S	Bend	cis	-84.1	-13	5.1	33.7	-36.1	0	0	0	115.1	G207 V208 V209 H232	G207-P357 WeakPolarHBondContact CA-O 3.48Å; V208-P357 PolarHBondContact N-O 3.04Å; V208-P357 WeakPolarHBondContact O-CA 3.3Å; V209-P357 HydrophobicContact CG2-CB 4Å; H232-P357 WeakPolarHBondContact NE2-CB 3.28Å
358	D	89.3	Confident	90.5	Very high	97 Å²	97	54.3 Å²	54.3	52%	0.519	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145	-162.7	-68.7	-56	0	0	0	114.1	L335 S336	L335-D358 WeakPolarHBondContact CD1-O 3.24Å; S336-D358 WeakPolarHBondContact CA-O 3.41Å; S336-D358 PolarHBondContact N-O 2.9Å; S336-D358 PolarHBondContact O-N 3.01Å; S336-D358 VanDerWaalsContact O-O 3.11Å; S336-D358 PolarHBondContact OG-O 3.28Å
359	F	86.2	Confident	90.6	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144	163.7	-69	-92.3	0	0	0	110.7	L177 V208 Q334 L335 S361 G362 R363 V365	L177-F359 HydrophobicContact CD2-CE1 4.32Å; V208-F359 HydrophobicContact CB-CE2 3.78Å; V208-F359 HydrophobicContact CB-CZ 3.74Å; V208-F359 HydrophobicContact CG2-CE2 3.8Å; V208-F359 HydrophobicContact CG2-CZ 3.7Å; Q334-F359 HydrophobicContact CB-CD1 3.9Å; Q334-F359 HydrophobicContact CB-CE1 4.29Å; L335-F359 HydrophobicContact CD1-CE1 4.41Å; L335-F359 HydrophobicContact CD1-CE2 4.31Å; L335-F359 HydrophobicContact CD1-CZ 4.24Å; F359-S361 PolarHBondContact O-N 2.81Å; F359-G362 PolarHBondContact O-N 3.44Å; F359-R363 HydrophobicContact CB-CB 4.04Å; F359-R363 WeakPolarHBondContact CD2-O 3.44Å; F359-V365 HydrophobicContact CE1-CG2 4.45Å; F359-V365 HydrophobicContact CE2-CG2 3.74Å; F359-V365 HydrophobicContact CZ-CG2 3.53Å
360	G	71.6	Confident	90.8	Very high	37 Å²	37	52.3 Å²	52.3	38%	0.381	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	128.6	168.5	0	0	0	0	0	110.9	Q334 R363	Q334-G360 PolarHBondContact O-N 3.46Å; G360-R363 PolarHBondContact O-NE 2.93Å; G360-R363 VanDerWaalsContact O-NE 3.09Å; G360-R363 PolarHBondContact O-NH2 2.77Å
361	S	74.6	Confident	90.9	Very high	101 Å²	101	42.2 Å²	42.2	71%	0.706	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	18.1	-169.2	81.2	0	0	0	0	118.3	F359 R363	F359-S361 PolarHBondContact O-N 2.81Å; S361-R363 VanDerWaalsContact C-N 3.27Å; S361-R363 PolarHBondContact O-N 2.99Å; S361-R363 PolarHBondContact OG-NE 2.69Å
362	G	80.9	Confident	90.9	Very high	40 Å²	40	44.5 Å²	44.5	41%	0.412	24%	0.237	S	C	.	.	S	Bend	trans	69.8	24.7	170.9	0	0	0	0	0	113.9	F359	F359-G362 PolarHBondContact O-N 3.44Å
363	R	90.8	Very high	90.9	Very high	37 Å²	37	37.7 Å²	37.7	14%	0.14	22%	0.215	C	C	.	.			trans	-73.7	157.9	174.7	-72.1	174.4	-71.5	145.2	9.6	110.6	V178 F359 G360 S361	V178-R363 CarbonylContact O-C 3.54Å; V178-R363 VanDerWaalsContact O-CA 3.28Å; V178-R363 WeakPolarHBondContact O-CA 3.46Å; V178-R363 WeakPolarHBondContact O-CB 3.37Å; F359-R363 HydrophobicContact CB-CB 4.04Å; F359-R363 WeakPolarHBondContact CD2-O 3.44Å; G360-R363 PolarHBondContact O-NE 2.93Å; G360-R363 VanDerWaalsContact O-NE 3.09Å; G360-R363 PolarHBondContact O-NH2 2.77Å; S361-R363 VanDerWaalsContact C-N 3.27Å; S361-R363 PolarHBondContact O-N 2.99Å; S361-R363 PolarHBondContact OG-NE 2.69Å
364	R	93.9	Very high	90.8	Very high	94 Å²	94	38.7 Å²	38.7	36%	0.355	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	166	177.4	-73.3	-179.2	-73.6	172.4	-6.7	110.1	V178 S180 T205 G206	V178-R364 HydrophobicContact CG2-CB 3.79Å; V178-R364 WeakPolarHBondContact CG2-O 3.37Å; V178-R364 PolarHBondContact N-O 2.89Å; V178-R364 PolarHBondContact O-N 3.01Å; S180-R364 PolarHBondContact O-NH2 2.74Å; T205-R364 HydrophobicContact CG2-CB 4.19Å; G206-R364 WeakPolarHBondContact O-CA 3.5Å; G206-R364 WeakPolarHBondContact O-CB 3.3Å
365	V	96.3	Very high	90.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.6	172.8	174.7	0	0	0	0	108.9	L175 H176 L177 T205 G206 V208 L233 L331 F359	L175-V365 HydrophobicContact CD1-CG1 3.46Å; L175-V365 VanDerWaalsContact CD1-CG1 3.46Å; L175-V365 HydrophobicContact CG-CG1 4.11Å; H176-V365 CarbonylContact O-C 3.59Å; H176-V365 WeakPolarHBondContact O-CA 3.34Å; L177-V365 HydrophobicContact CD2-CG2 3.77Å; T205-V365 VanDerWaalsContact CA-O 3.3Å; T205-V365 WeakPolarHBondContact CA-O 3.41Å; G206-V365 PolarHBondContact N-O 3.42Å; G206-V365 PolarHBondContact O-N 2.93Å; V208-V365 HydrophobicContact CG2-CB 4.18Å; V208-V365 HydrophobicContact CG2-CG2 3.88Å; L233-V365 HydrophobicContact CD1-CB 3.89Å; L233-V365 HydrophobicContact CD1-CG1 3.56Å; L331-V365 HydrophobicContact CD2-CG2 3.76Å; F359-V365 HydrophobicContact CE1-CG2 4.45Å; F359-V365 HydrophobicContact CE2-CG2 3.74Å; F359-V365 HydrophobicContact CZ-CG2 3.53Å
366	R	96.9	Very high	90.4	Very high	72 Å²	72	42.5 Å²	42.5	27%	0.272	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.3	168.8	175.2	179.4	-62	144.1	5.2	109.1	L175 H176 V178 G182 Y204 T205	L175-R366 WeakPolarHBondContact CA-O 3.43Å; H176-R366 HydrophobicContact CB-CB 4.36Å; H176-R366 PolarHBondContact N-O 3.04Å; H176-R366 PolarHBondContact O-N 2.68Å; V178-R366 HydrophobicContact CG1-CB 4Å; G182-R366 PolarHBondContact O-NH2 3.45Å; Y204-R366 CarbonylContact O-C 3.5Å; Y204-R366 VanDerWaalsContact O-CA 3.28Å; Y204-R366 WeakPolarHBondContact O-CA 3.39Å; T205-R366 HydrophobicContact CG2-CB 4.34Å; T205-R366 WeakPolarHBondContact OG1-CB 3.5Å; T205-R366 WeakPolarHBondContact OG1-CG 3.48Å; T205-R366 PolarHBondContact OG1-NE 2.89Å
367	L	97.3	Very high	90.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.5	172.1	173.2	61.3	0	0	0	108.6	L175 N203 Y204 L233 L260 P319 L321 V369	L175-L367 HydrophobicContact CD1-CB 4.13Å; L175-L367 HydrophobicContact CD1-CD1 4.02Å; N203-L367 CarbonylContact C-O 3.16Å; N203-L367 WeakPolarHBondContact CA-O 3.38Å; Y204-L367 PolarHBondContact N-O 3.12Å; Y204-L367 PolarHBondContact O-N 3.5Å; L233-L367 HydrophobicContact CD1-CB 4.08Å; L233-L367 HydrophobicContact CD2-CB 4.28Å; L233-L367 HydrophobicContact CD2-CD2 3.95Å; L260-L367 HydrophobicContact CD2-CD1 4.25Å; L260-L367 HydrophobicContact CD2-CD2 4.18Å; P319-L367 HydrophobicContact CB-CD2 4.01Å; P319-L367 HydrophobicContact CB-CG 4.46Å; P319-L367 HydrophobicContact CG-CD2 4.09Å; L321-L367 HydrophobicContact CB-CD1 4Å; L321-L367 HydrophobicContact CD2-CD1 3.78Å; L321-L367 HydrophobicContact CG-CD1 4.46Å; L367-V369 HydrophobicContact CD1-CG2 3.87Å; L367-V369 HydrophobicContact CD2-CG2 4.28Å; L367-V369 HydrophobicContact CG-CG2 4.05Å
368	S	96.7	Very high	90.4	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114	168.7	168.9	0	0	0	0	107.3	S173 S174 N203 Q370	S173-S368 CarbonylContact C-O 3.59Å; S173-S368 VanDerWaalsContact CA-O 3.24Å; S173-S368 WeakPolarHBondContact CA-O 3.36Å; S173-S368 WeakPolarHBondContact CB-O 3.31Å; S174-S368 PolarHBondContact N-O 2.95Å; S174-S368 PolarHBondContact O-N 3.47Å; N203-S368 WeakPolarHBondContact OD1-CA 3.38Å; N203-S368 WeakPolarHBondContact OD1-CB 3.29Å; N203-S368 PolarHBondContact OD1-OG 3.41Å; N203-S368 VanDerWaalsContact OD1-OG 3.09Å; S368-Q370 PolarHBondContact OG-NE2 3.43Å; S368-Q370 VanDerWaalsContact OG-NE2 3.15Å
369	V	97.1	Very high	90.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.6	170.9	178.4	0	0	0	0	108.6	S173 T201 G202 P319 L321 L367	S173-V369 WeakPolarHBondContact OG-CA 3.46Å; T201-V369 CarbonylContact C-O 3.45Å; T201-V369 WeakPolarHBondContact CA-O 3.47Å; G202-V369 PolarHBondContact N-O 3.29Å; G202-V369 PolarHBondContact O-N 2.9Å; P319-V369 HydrophobicContact CB-CB 4Å; P319-V369 HydrophobicContact CB-CG2 3.7Å; L321-V369 HydrophobicContact CB-CG2 4.29Å; L321-V369 HydrophobicContact CD1-CG2 4.5Å; L367-V369 HydrophobicContact CD1-CG2 3.87Å; L367-V369 HydrophobicContact CD2-CG2 4.28Å; L367-V369 HydrophobicContact CG-CG2 4.05Å
370	Q	95	Very high	91.2	Very high	46 Å²	46	41.9 Å²	41.9	22%	0.215	24%	0.24	C	C	.	.			trans	-133.2	92.8	-174.7	-60.1	-58.9	-24.5	0	0	109.4	D168 F171 S173 S368	D168-Q370 HydrophobicContact CB-CB 4.28Å; D168-Q370 WeakPolarHBondContact CB-O 3.47Å; D168-Q370 PolarHBondContact N-O 2.84Å; F171-Q370 WeakPolarHBondContact O-CB 3.24Å; F171-Q370 WeakPolarHBondContact O-CG 3.49Å; S173-Q370 PolarHBondContact OG-N 3.35Å; S368-Q370 PolarHBondContact OG-NE2 3.43Å; S368-Q370 VanDerWaalsContact OG-NE2 3.15Å
371	N	94	Very high	92.5	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.053	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.9	178.6	-58.6	-10.8	0	0	0	110.1	Q165 V166 C196 T201	Q165-N371 VanDerWaalsContact CD-CB 3.4Å; Q165-N371 HydrophobicContact CG-CB 3.62Å; Q165-N371 PolarHBondContact OE1-ND2 2.99Å; V166-N371 CarbonylContact O-C 3.55Å; V166-N371 WeakPolarHBondContact O-CA 3.46Å; C196-N371 PolarHBondContact O-ND2 3.3Å; T201-N371 PolarHBondContact OG1-N 3.4Å; T201-N371 VanDerWaalsContact OG1-N 3.16Å; T201-N371 PolarHBondContact OG1-O 3.41Å
372	L	93	Very high	93.6	Very high	83 Å²	83	35.4 Å²	35.4	44%	0.435	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.8	-178.1	-63.5	176.2	0	0	0	111.2	Q165 V166 D168	Q165-L372 WeakPolarHBondContact CA-O 3.33Å; V166-L372 HydrophobicContact CG2-CB 4.48Å; V166-L372 PolarHBondContact N-O 2.93Å; V166-L372 PolarHBondContact O-N 3.01Å; D168-L372 HydrophobicContact CB-CD1 4.13Å; D168-L372 HydrophobicContact CB-CG 3.96Å
373	M	91.1	Very high	94.5	Very high	69 Å²	69	33.5 Å²	33.5	34%	0.34	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.1	169.2	-65.8	-52.3	-46.4	0	0	109.9	M163 Q165 Y198 F295	M163-M373 HydrophobicContact CB-CE 3.95Å; M163-M373 HydrophobicContact CE-CB 3.65Å; M163-M373 HydrophobicContact CE-CE 4.36Å; M163-M373 VanDerWaalsContact O-CE 3.28Å; M163-M373 WeakPolarHBondContact O-CE 3.35Å; Q165-M373 HydrophobicContact CB-CE 4.17Å; Q165-M373 HydrophobicContact CB-SD 3.62Å; Q165-M373 HydrophobicContact CG-SD 3.64Å; Y198-M373 HydrophobicContact CE1-CE 4.19Å; F295-M373 HydrophobicContact CD2-CE 4.3Å; F295-M373 HydrophobicContact CE2-CE 3.42Å; F295-M373 VanDerWaalsContact CE2-CE 3.42Å; F295-M373 HydrophobicContact CE2-SD 4.18Å; F295-M373 HydrophobicContact CZ-CE 4.03Å; F295-M373 HydrophobicContact CZ-SD 4.23Å
374	T	89.4	Confident	94.8	Very high	50 Å²	50	32.4 Å²	32.4	31%	0.307	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	-174	-60.2	0	0	0	0	110.1	L164 V166 V376	L164-T374 PolarHBondContact N-O 3.4Å; L164-T374 PolarHBondContact O-N 3.07Å; V166-T374 WeakPolarHBondContact CG2-OG1 3.12Å; T374-V376 HydrophobicContact CG2-CG2 4.27Å
375	P	89.1	Confident	95	Very high	89 Å²	89	28.2 Å²	28.2	58%	0.578	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71	130.6	170.9	29.5	-33	0	0	0	110.1	A162 M163	A162-P375 WeakPolarHBondContact O-CA 3.36Å; M163-P375 HydrophobicContact SD-CB 3.8Å
376	V	91.1	Very high	95	Very high	17 Å²	17	32.9 Å²	32.9	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.6	-177.3	176.8	0	0	0	0	110	P131 A162 L164 T374 L378	P131-V376 HydrophobicContact CB-CG1 4.37Å; A162-V376 PolarHBondContact N-O 3.47Å; A162-V376 PolarHBondContact O-N 3.27Å; L164-V376 HydrophobicContact CB-CG2 4.09Å; L164-V376 HydrophobicContact CD1-CB 4.12Å; L164-V376 HydrophobicContact CD1-CG1 4.22Å; L164-V376 HydrophobicContact CD1-CG2 4.14Å; L164-V376 HydrophobicContact CG-CB 4.14Å; L164-V376 HydrophobicContact CG-CG2 4.14Å; T374-V376 HydrophobicContact CG2-CG2 4.27Å; V376-L378 HydrophobicContact CG1-CD2 3.77Å; V376-L378 HydrophobicContact CG1-CG 4.44Å; V376-L378 PolarHBondContact O-N 3.37Å
377	L	91.7	Very high	94.9	Very high	92 Å²	92	29.8 Å²	29.8	48%	0.482	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	104.1	170.8	-175.5	67.1	0	0	0	109.7	N379	L377-N379 PolarHBondContact O-ND2 3.23Å
378	L	93.2	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	148.7	176.2	-61.5	-177	0	0	0	110.8	P131 S159 L160 A162 L164 V376 D444 A445 V451	P131-L378 HydrophobicContact CB-CD2 3.51Å; S159-L378 WeakPolarHBondContact CA-O 3.38Å; L160-L378 HydrophobicContact CD1-CB 3.95Å; L160-L378 HydrophobicContact CD1-CD1 3.82Å; L160-L378 HydrophobicContact CD1-CG 4.26Å; L160-L378 HydrophobicContact CG-CB 4.13Å; L160-L378 PolarHBondContact N-O 3.28Å; L160-L378 VanDerWaalsContact N-O 3.07Å; L160-L378 PolarHBondContact O-N 3.37Å; A162-L378 HydrophobicContact CB-CD1 3.58Å; A162-L378 HydrophobicContact CB-CG 4.16Å; L164-L378 HydrophobicContact CD1-CD2 4.17Å; V376-L378 HydrophobicContact CG1-CD2 3.77Å; V376-L378 HydrophobicContact CG1-CG 4.44Å; V376-L378 PolarHBondContact O-N 3.37Å; L378-D444 HydrophobicContact CB-CB 4.17Å; L378-D444 HydrophobicContact CD2-CB 4.27Å; L378-A445 HydrophobicContact CD1-CB 3.55Å; L378-A445 HydrophobicContact CD2-CB 3.66Å; L378-A445 HydrophobicContact CG-CB 4.28Å; L378-V451 HydrophobicContact CD1-CB 4.25Å; L378-V451 HydrophobicContact CD1-CG1 3.76Å
379	N	95.2	Very high	94.5	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.15	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	94.9	-176.4	-69.3	-85.8	0	0	0	111.4	A140 T157 S159 L377 R400 D444	A140-N379 HydrophobicContact CB-CB 4.48Å; T157-N379 HydrophobicContact CG2-CB 4.15Å; S159-N379 PolarHBondContact OG-OD1 3.34Å; L377-N379 PolarHBondContact O-ND2 3.23Å; N379-R400 PolarHBondContact O-NH1 3.27Å; N379-R400 PolarHBondContact O-NH2 2.82Å; N379-D444 PolarHBondContact N-OD2 2.86Å
380	N	97.3	Very high	94.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	132.1	169.6	-66.2	-32.5	0	0	0	109.1	T157 E158 F382 S442 W443 D444 G452	T157-N380 WeakPolarHBondContact CA-O 3.41Å; E158-N380 HydrophobicContact CB-CB 4.38Å; E158-N380 PolarHBondContact N-O 3.18Å; E158-N380 PolarHBondContact O-N 3.03Å; N380-F382 HydrophobicContact CB-CD2 4.25Å; N380-F382 HydrophobicContact CB-CE2 3.52Å; N380-F382 HydrophobicContact CB-CZ 4.19Å; N380-S442 WeakPolarHBondContact CA-O 3.35Å; N380-W443 HydrophobicContact CB-CE3 4.29Å; N380-D444 PolarHBondContact OD1-N 3.39Å; N380-D444 VanDerWaalsContact OD1-N 3.16Å; N380-G452 PolarHBondContact ND2-O 3.2Å
381	I	98.4	Very high	94	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122	-179.8	-49.3	-61.2	0	0	0	109.6	A140 V143 L144 F147 T157 V441 S442	A140-I381 HydrophobicContact CB-CD1 4.23Å; A140-I381 HydrophobicContact CB-CG1 4.25Å; V143-I381 HydrophobicContact CG1-CB 4.24Å; V143-I381 HydrophobicContact CG1-CG2 4.09Å; L144-I381 HydrophobicContact CB-CD1 4.36Å; L144-I381 HydrophobicContact CB-CG2 3.85Å; L144-I381 HydrophobicContact CD1-CG2 3.86Å; L144-I381 HydrophobicContact CG-CG2 4.47Å; F147-I381 HydrophobicContact CD2-CG2 3.84Å; F147-I381 HydrophobicContact CE2-CG2 4.06Å; T157-I381 HydrophobicContact CG2-CD1 3.79Å; T157-I381 VanDerWaalsContact OG1-CD1 3.28Å; T157-I381 WeakPolarHBondContact OG1-CD1 3.4Å; I381-V441 WeakPolarHBondContact O-CA 3.39Å; I381-S442 PolarHBondContact N-O 3.34Å; I381-S442 PolarHBondContact O-N 3.12Å
382	F	98.4	Very high	94.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.8	-174.8	-69.4	-94	0	0	0	112	T155 W156 E158 N380 L439 F440 V441 W443 W456	T155-F382 CarbonylContact C-O 3.56Å; T155-F382 VanDerWaalsContact CA-O 3.31Å; T155-F382 WeakPolarHBondContact CA-O 3.15Å; W156-F382 HydrophobicContact CD2-CB 3.56Å; W156-F382 HydrophobicContact CD2-CG 4.3Å; W156-F382 AromaticContact CE2-CD2 3.89Å; W156-F382 AromaticContact CE2-CG 3.6Å; W156-F382 HydrophobicContact CE3-CB 3.84Å; W156-F382 HydrophobicContact CG-CB 4.19Å; W156-F382 HydrophobicContact CH2-CB 3.77Å; W156-F382 HydrophobicContact CH2-CD1 4.35Å; W156-F382 HydrophobicContact CH2-CG 4.27Å; W156-F382 HydrophobicContact CZ2-CB 3.48Å; W156-F382 VanDerWaalsContact CZ2-CB 3.48Å; W156-F382 AromaticContact CZ2-CD1 3.8Å; W156-F382 HydrophobicContact CZ2-CD1 3.8Å; W156-F382 HydrophobicContact CZ2-CD2 4.24Å; W156-F382 AromaticContact CZ2-CG 3.59Å; W156-F382 HydrophobicContact CZ2-CG 3.59Å; W156-F382 HydrophobicContact CZ3-CB 3.93Å; W156-F382 PolarHBondContact N-O 3.4Å; W156-F382 AromaticContact NE1-CD2 3.52Å; W156-F382 AromaticContact NE1-CG 3.75Å; W156-F382 PolarHBondContact O-N 3.05Å; E158-F382 HydrophobicContact CB-CD2 4.09Å; E158-F382 HydrophobicContact CB-CE2 3.66Å; N380-F382 HydrophobicContact CB-CD2 4.25Å; N380-F382 HydrophobicContact CB-CE2 3.52Å; N380-F382 HydrophobicContact CB-CZ 4.19Å; F382-L439 HydrophobicContact CD1-CD1 4.04Å; F382-L439 HydrophobicContact CD1-CD2 4.31Å; F382-L439 HydrophobicContact CD1-CG 4.31Å; F382-L439 HydrophobicContact CE1-CD2 4.42Å; F382-F440 WeakPolarHBondContact CA-O 3.44Å; F382-V441 HydrophobicContact CD1-CB 4.19Å; F382-V441 HydrophobicContact CD1-CG1 3.66Å; F382-V441 HydrophobicContact CD1-CG2 3.57Å; F382-V441 HydrophobicContact CD2-CG1 4.39Å; F382-V441 HydrophobicContact CE1-CB 4.15Å; F382-V441 HydrophobicContact CE1-CG1 3.41Å; F382-V441 VanDerWaalsContact CE1-CG1 3.41Å; F382-V441 HydrophobicContact CE1-CG2 3.59Å; F382-V441 HydrophobicContact CE2-CG1 4.18Å; F382-V441 HydrophobicContact CG-CG1 4.14Å; F382-V441 HydrophobicContact CZ-CG1 3.69Å; F382-W443 HydrophobicContact CE1-CH2 4.11Å; F382-W443 HydrophobicContact CE1-CZ3 4.29Å; F382-W443 HydrophobicContact CZ-CH2 4.03Å; F382-W443 AromaticContact CZ-CZ3 3.77Å; F382-W443 HydrophobicContact CZ-CZ3 3.77Å; F382-W456 AromaticContact CE1-CE2 3.97Å; F382-W456 HydrophobicContact CE1-CZ2 4.44Å; F382-W456 AromaticContact CE1-NE1 3.62Å; F382-W456 AromaticContact CZ-CD1 3.43Å; F382-W456 VanDerWaalsContact CZ-CD1 3.43Å; F382-W456 HydrophobicContact CZ-CD2 4.44Å; F382-W456 HydrophobicContact CZ-CG 4.03Å; F382-W456 AromaticContact CZ-NE1 3.44Å
383	S	98.3	Very high	94.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	140.7	169.1	-165.7	0	0	0	0	110.2	M152 H154 T155 F440	M152-S383 WeakPolarHBondContact CB-OG 3.43Å; M152-S383 VanDerWaalsContact CG-OG 3.26Å; M152-S383 WeakPolarHBondContact CG-OG 3.25Å; H154-S383 WeakPolarHBondContact O-CA 3.48Å; T155-S383 PolarHBondContact OG1-OG 3.47Å; S383-F440 PolarHBondContact N-O 2.86Å; S383-F440 PolarHBondContact O-N 2.58Å
384	S	97.8	Very high	94.5	Very high	14 Å²	14	33.1 Å²	33.1	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.4	-175.7	64.1	0	0	0	0	114.2	D153 H154 L438	D153-S384 PolarHBondContact N-O 3.03Å; D153-S384 VanDerWaalsContact N-O 3.14Å; H154-S384 WeakPolarHBondContact CB-OG 3.32Å; H154-S384 PolarHBondContact O-N 2.94Å; S384-L438 CarbonylContact C-O 3.45Å; S384-L438 WeakPolarHBondContact CA-O 3.32Å; S384-L438 WeakPolarHBondContact CB-O 3.39Å
385	L	97.6	Very high	94.9	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.1	163.5	-67.3	163	0	0	0	108.4	M152 D153 F424 V428 S437 L438 F440	M152-L385 HydrophobicContact CE-CD1 4.01Å; M152-L385 HydrophobicContact CE-CD2 4.28Å; M152-L385 HydrophobicContact CE-CG 3.7Å; M152-L385 HydrophobicContact SD-CD1 4.1Å; M152-L385 HydrophobicContact SD-CD2 3.67Å; M152-L385 HydrophobicContact SD-CG 3.77Å; D153-L385 VanDerWaalsContact OD2-CA 3.31Å; D153-L385 WeakPolarHBondContact OD2-CA 3.26Å; L385-F424 HydrophobicContact CD1-CB 3.89Å; L385-V428 HydrophobicContact CD1-CG2 4.12Å; L385-V428 HydrophobicContact CD2-CG2 4.38Å; L385-S437 CarbonylContact O-C 3.57Å; L385-S437 VanDerWaalsContact O-CA 3.26Å; L385-S437 WeakPolarHBondContact O-CA 3.15Å; L385-S437 WeakPolarHBondContact O-CB 3.33Å; L385-L438 HydrophobicContact CB-CB 4.32Å; L385-L438 HydrophobicContact CD1-CD1 4.08Å; L385-L438 PolarHBondContact N-O 2.94Å; L385-L438 PolarHBondContact O-N 2.97Å; L385-F440 HydrophobicContact CD1-CE2 4.25Å
386	E	96.8	Very high	95.4	Very high	99 Å²	99	26.5 Å²	26.5	46%	0.463	13%	0.131	S	C	.	.			trans	-79.5	128.4	-178.7	-168.3	175.5	-158.4	0	0	111.1	D153 P390	D153-E386 HydrophobicContact CB-CB 4.44Å; D153-E386 PolarHBondContact OD2-N 2.93Å; E386-P390 HydrophobicContact CG-CB 3.7Å; E386-P390 VanDerWaalsContact OE1-CB 3.31Å; E386-P390 WeakPolarHBondContact OE1-CB 3.29Å
387	G	95	Very high	95.7	Very high	7 Å²	7	25.7 Å²	25.7	7%	0.072	13%	0.127	C	C	.	.			trans	-96.3	167.2	175.9	0	0	0	0	0	113.5	E389 P390 P434 S437	G387-E389 PolarHBondContact O-N 3.32Å; G387-P390 WeakPolarHBondContact O-CA 3.41Å; G387-P390 WeakPolarHBondContact O-CD 3.26Å; G387-P434 CarbonylContact C-O 3.6Å; G387-P434 VanDerWaalsContact CA-O 3.22Å; G387-P434 WeakPolarHBondContact CA-O 3.32Å; G387-S437 PolarHBondContact N-OG 3.31Å
388	R	92.5	Very high	96.1	Very high	105 Å²	105	21.3 Å²	21.3	40%	0.396	10%	0.104	S	C	.	.	S	Bend	trans	-61	-23.7	176.4	-68.8	177.9	-78.1	163.4	-2.7	113.9	E98 P390 S433 P434 R435	E98-R388 VanDerWaalsContact CD-NH2 3.26Å; E98-R388 IonicContact OE1-CZ 3Å; E98-R388 IonicContact OE1-NH1 3.59Å; E98-R388 PolarHBondContact OE1-NH1 2.92Å; E98-R388 IonicContact OE1-NH2 2.79Å; E98-R388 PolarHBondContact OE1-NH2 3.19Å; E98-R388 IonicContact OE2-CZ 3.44Å; E98-R388 IonicContact OE2-NH1 3.62Å; E98-R388 PolarHBondContact OE2-NH1 3.5Å; E98-R388 IonicContact OE2-NH2 2.82Å; E98-R388 PolarHBondContact OE2-NH2 3.29Å; R388-P390 WeakPolarHBondContact O-CD 3.28Å; R388-S433 PolarHBondContact NE-O 3.49Å; R388-S433 PolarHBondContact NH2-O 3.15Å; R388-P434 PolarHBondContact N-O 3.35Å; R388-R435 PolarHBondContact N-O 3.34Å
389	E	91.9	Very high	96.3	Very high	13 Å²	13	21.7 Å²	21.7	6%	0.061	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	78.2	167.2	-61.9	-179.5	-124.7	0	0	108	G387 D391 Q392 R435 R668	G387-E389 PolarHBondContact O-N 3.32Å; E389-D391 PolarHBondContact O-N 3.13Å; E389-D391 VanDerWaalsContact O-N 3.1Å; E389-Q392 PolarHBondContact O-N 2.92Å; E389-Q392 VanDerWaalsContact O-N 3.13Å; E389-Q392 PolarHBondContact OE2-NE2 3.32Å; E389-R435 WeakPolarHBondContact CA-O 3.41Å; E389-R435 WeakPolarHBondContact CB-O 3.27Å; E389-R435 HydrophobicContact CG-CG 4.36Å; E389-R435 PolarHBondContact N-O 2.82Å; E389-R435 WeakPolarHBondContact OE1-CD 3.32Å; E389-R435 WeakPolarHBondContact OE1-CG 3.28Å; E389-R435 IonicContact OE1-CZ 3.9Å; E389-R435 IonicContact OE1-NE 3.12Å; E389-R435 IonicContact OE1-NH1 3.95Å; E389-R435 PolarHBondContact OE1-NH1 2.99Å; E389-R668 IonicContact OE2-NH1 3.44Å
390	P	91.4	Very high	96.4	Very high	53 Å²	53	20.4 Å²	20.4	34%	0.344	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-12.9	-162.1	28.1	-37.4	0	0	0	114.3	E386 G387 R388 Y393 S437	E386-P390 HydrophobicContact CG-CB 3.7Å; E386-P390 VanDerWaalsContact OE1-CB 3.31Å; E386-P390 WeakPolarHBondContact OE1-CB 3.29Å; G387-P390 WeakPolarHBondContact O-CA 3.41Å; G387-P390 WeakPolarHBondContact O-CD 3.26Å; R388-P390 WeakPolarHBondContact O-CD 3.28Å; P390-Y393 WeakPolarHBondContact O-CE1 3.49Å; P390-Y393 PolarHBondContact O-OH 2.68Å; P390-S437 WeakPolarHBondContact CA-OG 3.36Å; P390-S437 PolarHBondContact O-OG 3.37Å
391	D	91.3	Very high	96.4	Very high	52 Å²	52	20.5 Å²	20.5	28%	0.278	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-9	177.4	66.3	-40.5	0	0	0	114.1	E389 K467 R668	E389-D391 PolarHBondContact O-N 3.13Å; E389-D391 VanDerWaalsContact O-N 3.1Å; D391-K467 VanDerWaalsContact O-CA 3.27Å; D391-K467 WeakPolarHBondContact O-CA 3.41Å; D391-K467 WeakPolarHBondContact O-CB 3.32Å; D391-K467 WeakPolarHBondContact O-CG 3.28Å; D391-R668 VanDerWaalsContact CG-NH2 3.34Å; D391-R668 IonicContact OD1-CZ 2.81Å; D391-R668 IonicContact OD1-NH1 2.86Å; D391-R668 PolarHBondContact OD1-NH1 3.31Å; D391-R668 IonicContact OD1-NH2 2.83Å; D391-R668 PolarHBondContact OD1-NH2 3.16Å; D391-R668 IonicContact OD2-CZ 3.09Å; D391-R668 IonicContact OD2-NH1 3.57Å; D391-R668 IonicContact OD2-NH2 2.9Å; D391-R668 PolarHBondContact OD2-NH2 3.2Å
392	Q	94.8	Very high	96.3	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.7	172.6	-79.5	165.6	65.4	0	0	110.9	E389 R436 S437 K467 V469 M675	E389-Q392 PolarHBondContact O-N 2.92Å; E389-Q392 VanDerWaalsContact O-N 3.13Å; E389-Q392 PolarHBondContact OE2-NE2 3.32Å; Q392-R436 HydrophobicContact CB-CB 4.15Å; Q392-R436 HydrophobicContact CB-CG 4.05Å; Q392-R436 VanDerWaalsContact OE1-CD 3.24Å; Q392-S437 WeakPolarHBondContact O-CB 3.36Å; Q392-S437 PolarHBondContact O-N 3.49Å; Q392-K467 CarbonylContact C-O 3.53Å; Q392-K467 VanDerWaalsContact CA-O 3.31Å; Q392-K467 WeakPolarHBondContact CA-O 3.44Å; Q392-V469 HydrophobicContact CB-CG2 3.91Å; Q392-V469 HydrophobicContact CG-CG2 4.19Å; Q392-M675 HydrophobicContact CG-CE 4.16Å; Q392-M675 HydrophobicContact CG-SD 4.02Å
393	Y	95.2	Very high	96.2	Very high	66 Å²	66	22.3 Å²	22.3	26%	0.259	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.6	-178.7	-51.9	-58.4	0	0	0	112.2	P390 S437 K467 V469	P390-Y393 WeakPolarHBondContact O-CE1 3.49Å; P390-Y393 PolarHBondContact O-OH 2.68Å; Y393-S437 WeakPolarHBondContact CA-O 3.17Å; Y393-K467 HydrophobicContact CD2-CB 3.84Å; Y393-K467 HydrophobicContact CD2-CD 4.41Å; Y393-K467 HydrophobicContact CE2-CB 3.9Å; Y393-K467 HydrophobicContact CE2-CD 3.62Å; Y393-K467 HydrophobicContact CE2-CG 4.4Å; Y393-K467 PolarHBondContact N-O 3.47Å; Y393-V469 WeakPolarHBondContact O-CB 3.4Å; Y393-V469 PolarHBondContact O-N 2.7Å
394	V	98.3	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.6	157.1	179.3	0	0	0	0	107.3	S437 L438 L439 V469 F472 V594 L597 V598	V394-S437 PolarHBondContact N-O 2.88Å; V394-L438 HydrophobicContact CB-CD2 4.25Å; V394-L439 PolarHBondContact O-N 3Å; V394-V469 HydrophobicContact CG2-CB 4.12Å; V394-V469 HydrophobicContact CG2-CG1 4.16Å; V394-F472 HydrophobicContact CG1-CD2 4.24Å; V394-F472 HydrophobicContact CG1-CE2 3.97Å; V394-V594 HydrophobicContact CG1-CG1 4.28Å; V394-V594 HydrophobicContact CG1-CG2 4.2Å; V394-L597 HydrophobicContact CG1-CD1 4.17Å; V394-L597 HydrophobicContact CG2-CB 3.71Å; V394-L597 HydrophobicContact CG2-CD1 4.41Å; V394-V598 HydrophobicContact CB-CG1 4.05Å; V394-V598 HydrophobicContact CG2-CG1 3.7Å
395	I	98.6	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.5	-168.5	-50.4	175.1	0	0	0	109.8	L439 V441 W456 A468 A470 Y471 F472 F539	I395-L439 CarbonylContact C-O 3.55Å; I395-L439 WeakPolarHBondContact CA-O 3.46Å; I395-L439 HydrophobicContact CD1-CD2 4.46Å; I395-L439 HydrophobicContact CG1-CB 4.29Å; I395-L439 HydrophobicContact CG1-CD2 4.28Å; I395-L439 HydrophobicContact CG2-CB 4.48Å; I395-L439 HydrophobicContact CG2-CD2 4.36Å; I395-V441 HydrophobicContact CG2-CG2 4.04Å; I395-W456 HydrophobicContact CD1-CH2 3.8Å; I395-W456 HydrophobicContact CD1-CZ3 4.19Å; I395-A468 HydrophobicContact CD1-CB 3.9Å; I395-A470 PolarHBondContact N-O 3.36Å; I395-Y471 HydrophobicContact CB-CD2 3.85Å; I395-Y471 HydrophobicContact CG2-CD2 3.61Å; I395-Y471 HydrophobicContact CG2-CE2 3.97Å; I395-Y471 WeakPolarHBondContact O-CA 3.48Å; I395-F472 PolarHBondContact O-N 3.15Å; I395-F539 HydrophobicContact CD1-CE1 4.23Å
396	L	98.8	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.2	177.2	-76.5	157.1	0	0	0	108.3	L417 L420 L439 F440 V441 F472 V590 V594	L396-L417 HydrophobicContact CB-CD1 4Å; L396-L417 VanDerWaalsContact O-CD1 3.28Å; L396-L417 WeakPolarHBondContact O-CD1 3.3Å; L396-L420 HydrophobicContact CD2-CD1 4.13Å; L396-L439 PolarHBondContact N-O 3.32Å; L396-F440 HydrophobicContact CB-CD1 4.08Å; L396-F440 HydrophobicContact CD1-CD1 3.84Å; L396-F440 HydrophobicContact CD1-CE1 3.4Å; L396-F440 VanDerWaalsContact CD1-CE1 3.4Å; L396-F440 HydrophobicContact CD1-CZ 4.08Å; L396-F440 CarbonylContact O-C 3.5Å; L396-F440 WeakPolarHBondContact O-CA 3.28Å; L396-V441 PolarHBondContact O-N 3.3Å; L396-F472 HydrophobicContact CD2-CB 3.82Å; L396-F472 HydrophobicContact CD2-CD2 4.41Å; L396-F472 HydrophobicContact CD2-CG 4.38Å; L396-V590 HydrophobicContact CD2-CG1 3.43Å; L396-V590 VanDerWaalsContact CD2-CG1 3.43Å; L396-V594 HydrophobicContact CD1-CG1 4.41Å; L396-V594 HydrophobicContact CD1-CG2 4.13Å; L396-V594 HydrophobicContact CD2-CG2 4.04Å; L396-V594 HydrophobicContact CG-CG2 4.31Å
397	G	98.4	Very high	96	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.3	-175	0	0	0	0	0	113.4	V441 F472 L474	G397-V441 WeakPolarHBondContact CA-O 3.23Å; G397-F472 PolarHBondContact N-O 2.96Å; G397-L474 WeakPolarHBondContact O-CB 3.21Å; G397-L474 PolarHBondContact O-N 3.12Å
398	A	98.3	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.6	168.1	0	0	0	0	0	111.9	G413 L417 V441 S442 W443 L474 D475	A398-G413 VanDerWaalsContact CB-C 3.46Å; A398-G413 WeakPolarHBondContact CB-O 3.36Å; A398-L417 HydrophobicContact CB-CB 4.08Å; A398-L417 HydrophobicContact CB-CD2 4.03Å; A398-V441 PolarHBondContact N-O 3.38Å; A398-S442 CarbonylContact O-C 3.53Å; A398-S442 WeakPolarHBondContact O-CA 3.28Å; A398-W443 PolarHBondContact O-N 3.48Å; A398-L474 HydrophobicContact CB-CB 4.19Å; A398-D475 WeakPolarHBondContact CA-OD1 3.34Å
399	Q	97.6	Very high	96.4	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.033	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	133.2	166.1	178.6	173.2	-6.9	0	0	110.2	D401 T414 D475	Q399-D401 WeakPolarHBondContact CG-O 3.45Å; Q399-D401 VanDerWaalsContact CG-OD1 3.32Å; Q399-D401 WeakPolarHBondContact CG-OD1 3.06Å; Q399-D401 PolarHBondContact NE2-O 3.27Å; Q399-D401 PolarHBondContact NE2-OD2 3.14Å; Q399-T414 PolarHBondContact O-OG1 3.43Å; Q399-D475 WeakPolarHBondContact CB-OD1 3.3Å; Q399-D475 PolarHBondContact N-OD1 3.17Å
400	R	97.6	Very high	96.6	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.008	7%	0.065	C	C	.	.			trans	-107.7	-30.8	175.7	-171	-174	61.2	-107.7	-0.6	113.5	H129 L139 N379 S410 S442 W443 D444	H129-R400 PolarHBondContact CD2-O 3.39Å; H129-R400 PolarHBondContact NE2-O 3.25Å; H129-R400 VanDerWaalsContact NE2-O 3.09Å; L139-R400 HydrophobicContact CB-CG 4.44Å; N379-R400 PolarHBondContact O-NH1 3.27Å; N379-R400 PolarHBondContact O-NH2 2.82Å; R400-S410 VanDerWaalsContact C-OG 3.26Å; R400-S410 WeakPolarHBondContact CA-OG 3.46Å; R400-S410 WeakPolarHBondContact O-CB 3.37Å; R400-S410 PolarHBondContact O-OG 3.4Å; R400-S442 WeakPolarHBondContact CB-OG 3.49Å; R400-S442 WeakPolarHBondContact CD-OG 3.21Å; R400-S442 PolarHBondContact NH1-O 2.93Å; R400-S442 VanDerWaalsContact NH1-O 3.15Å; R400-S442 PolarHBondContact NH1-OG 3.26Å; R400-S442 VanDerWaalsContact NH1-OG 3.11Å; R400-W443 VanDerWaalsContact CB-O 3.32Å; R400-W443 WeakPolarHBondContact CB-O 3.31Å; R400-W443 PolarHBondContact N-O 2.92Å; R400-D444 IonicContact NH2-OD1 3.49Å; R400-D444 IonicContact NH2-OD2 2.75Å; R400-D444 PolarHBondContact NH2-OD2 2.91Å
401	D	97.2	Very high	96.9	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.011	5%	0.049	C	C	.	.			trans	-76.6	154.3	179.6	61.5	-67.2	0	0	0	112.5	H129 P131 Q399 A445 G446 D447	H129-D401 WeakPolarHBondContact O-CA 3.44Å; P131-D401 HydrophobicContact CG-CB 3.72Å; Q399-D401 WeakPolarHBondContact CG-O 3.45Å; Q399-D401 VanDerWaalsContact CG-OD1 3.32Å; Q399-D401 WeakPolarHBondContact CG-OD1 3.06Å; Q399-D401 PolarHBondContact NE2-O 3.27Å; Q399-D401 PolarHBondContact NE2-OD2 3.14Å; D401-A445 PolarHBondContact OD1-N 2.92Å; D401-A445 WeakPolarHBondContact OD2-CA 3.49Å; D401-G446 PolarHBondContact OD1-N 2.74Å; D401-G446 PolarHBondContact OD2-N 3.09Å; D401-D447 PolarHBondContact OD2-N 3.23Å
402	S	96.8	Very high	97.2	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.021	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-155.9	133.5	172.5	166.1	0	0	0	0	111	H129 P130 G404 G406 D447	H129-S402 CarbonylContact C-O 3.4Å; H129-S402 PolarHBondContact N-O 2.79Å; H129-S402 PolarHBondContact O-N 3.44Å; P130-S402 WeakPolarHBondContact CA-O 3.45Å; S402-G404 WeakPolarHBondContact CB-O 3.33Å; S402-G404 PolarHBondContact O-N 2.78Å; S402-G404 VanDerWaalsContact OG-C 3.3Å; S402-G404 PolarHBondContact OG-N 2.82Å; S402-G404 PolarHBondContact OG-O 2.81Å; S402-G406 VanDerWaalsContact OG-CA 3.22Å; S402-G406 WeakPolarHBondContact OG-CA 3.38Å; S402-G406 PolarHBondContact OG-N 3.34Å; S402-D447 WeakPolarHBondContact CA-OD2 3.38Å
403	L	95.4	Very high	97.4	Very high	36 Å²	36	7.2 Å²	7.2	19%	0.188	4%	0.036	C	C	.	.	S	Bend	trans	-63.4	-24.4	174	-69.6	178.1	0	0	0	113.8	P130 Y195 P197 D447 F448	P130-L403 HydrophobicContact CB-CD2 4.19Å; Y195-L403 HydrophobicContact CE1-CD2 4.4Å; Y195-L403 VanDerWaalsContact OH-CD2 3.28Å; Y195-L403 WeakPolarHBondContact OH-CD2 3.41Å; P197-L403 HydrophobicContact CG-CD1 4.18Å; L403-D447 HydrophobicContact CD1-CB 4.31Å; L403-D447 HydrophobicContact CG-CB 3.97Å; L403-D447 WeakPolarHBondContact CG-OD2 3.39Å; L403-D447 PolarHBondContact N-OD2 3.39Å; L403-F448 HydrophobicContact CD2-CE2 4.04Å; L403-F448 HydrophobicContact CD2-CZ 4.16Å
404	G	95.6	Very high	97.5	Very high	6 Å²	6	4.1 Å²	4.1	6%	0.062	2%	0.024	C	C	.	.	S	Bend	trans	-121.4	-158.2	171.7	0	0	0	0	0	111.7	D128 S402 G406	D128-G404 VanDerWaalsContact OD1-CA 3.28Å; D128-G404 WeakPolarHBondContact OD1-CA 3.45Å; S402-G404 WeakPolarHBondContact CB-O 3.33Å; S402-G404 PolarHBondContact O-N 2.78Å; S402-G404 VanDerWaalsContact OG-C 3.3Å; S402-G404 PolarHBondContact OG-N 2.82Å; S402-G404 PolarHBondContact OG-O 2.81Å; G404-G406 VanDerWaalsContact C-N 3.3Å; G404-G406 PolarHBondContact O-N 2.65Å
405	P	97.1	Very high	97.5	Very high	15 Å²	15	4.2 Å²	4.2	10%	0.097	2%	0.024	C	C	.	.			trans	-68.2	-28	-179	-19.9	33	0	0	0	112.9	S125 D128 H129 A407 D566 T567	S125-P405 WeakPolarHBondContact CA-O 3.25Å; S125-P405 WeakPolarHBondContact CB-O 3.34Å; D128-P405 WeakPolarHBondContact OD1-CD 3.42Å; D128-P405 WeakPolarHBondContact OD1-CG 3.34Å; D128-P405 VanDerWaalsContact OD1-N 3.16Å; H129-P405 PolarHBondContact CE1-O 2.98Å; P405-A407 PolarHBondContact O-N 3.29Å; P405-D566 CarbonylContact C-O 3.5Å; P405-T567 HydrophobicContact CB-CG2 3.97Å; P405-T567 HydrophobicContact CG-CG2 3.93Å
406	G	97.4	Very high	97.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.			trans	68.6	35.7	161.7	0	0	0	0	0	116.9	S402 G404 V408 K409 S410 G411 D566	S402-G406 VanDerWaalsContact OG-CA 3.22Å; S402-G406 WeakPolarHBondContact OG-CA 3.38Å; S402-G406 PolarHBondContact OG-N 3.34Å; G404-G406 VanDerWaalsContact C-N 3.3Å; G404-G406 PolarHBondContact O-N 2.65Å; G406-V408 PolarHBondContact O-N 3.14Å; G406-K409 PolarHBondContact O-N 3.43Å; G406-S410 PolarHBondContact O-N 2.78Å; G406-G411 PolarHBondContact O-N 2.95Å; G406-D566 WeakPolarHBondContact CA-OD2 3.43Å; G406-D566 PolarHBondContact N-O 2.61Å
407	A	97.9	Very high	97.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	I	π-helix	trans	-55.5	-47.4	178.9	0	0	0	0	0	112.9	V121 S125 P405 G411 V412 D566 T567 V568 L571	V121-A407 HydrophobicContact CG1-CB 4.39Å; S125-A407 VanDerWaalsContact CB-CA 3.44Å; P405-A407 PolarHBondContact O-N 3.29Å; A407-G411 CarbonylContact O-C 3.54Å; A407-G411 WeakPolarHBondContact O-CA 3.4Å; A407-G411 PolarHBondContact O-N 3.41Å; A407-V412 WeakPolarHBondContact O-CG2 3.34Å; A407-V412 PolarHBondContact O-N 2.91Å; A407-D566 PolarHBondContact N-O 3.23Å; A407-D566 PolarHBondContact N-OD1 2.99Å; A407-T567 VanDerWaalsContact CB-C 3.47Å; A407-V568 HydrophobicContact CB-CG2 4.19Å; A407-L571 HydrophobicContact CB-CD2 4.46Å
408	V	97.5	Very high	97.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	I	π-helix	trans	-79.5	-43.7	170.6	174.4	0	0	0	0	111.1	G406 S410 Q476 I478 M479 Y558 L561 D566 L571	G406-V408 PolarHBondContact O-N 3.14Å; V408-S410 PolarHBondContact O-N 3.1Å; V408-Q476 HydrophobicContact CG1-CB 4.21Å; V408-Q476 HydrophobicContact CG1-CG 4.39Å; V408-Q476 WeakPolarHBondContact O-CA 3.33Å; V408-I478 WeakPolarHBondContact CG2-O 3.36Å; V408-M479 HydrophobicContact CG1-CE 3.79Å; V408-M479 HydrophobicContact CG1-CG 3.62Å; V408-Y558 HydrophobicContact CB-CE1 4.14Å; V408-Y558 HydrophobicContact CG2-CD1 4.24Å; V408-Y558 HydrophobicContact CG2-CD2 4.39Å; V408-Y558 HydrophobicContact CG2-CE1 3.63Å; V408-Y558 HydrophobicContact CG2-CE2 3.82Å; V408-Y558 VanDerWaalsContact CG2-CZ 3.41Å; V408-L561 HydrophobicContact CG1-CD1 4.35Å; V408-D566 WeakPolarHBondContact CB-OD1 3.5Å; V408-D566 PolarHBondContact N-OD1 3.49Å; V408-D566 PolarHBondContact N-OD2 2.83Å; V408-L571 HydrophobicContact CG2-CD1 3.66Å; V408-L571 HydrophobicContact CG2-CD2 3.92Å; V408-L571 HydrophobicContact CG2-CG 4.27Å
409	K	96.8	Very high	97.4	Very high	12 Å²	12	5.2 Å²	5.2	5%	0.052	3%	0.029	C	C	.	.	I	π-helix	trans	-59.1	-44.2	-172.3	-175.8	53.1	172.6	-110.3	0	113.9	G406 D447 Q476 L561 N562 D566	G406-K409 PolarHBondContact O-N 3.43Å; K409-D447 VanDerWaalsContact CE-OD1 3.3Å; K409-D447 WeakPolarHBondContact CE-OD1 3.27Å; K409-D447 IonicContact NZ-OD1 2.78Å; K409-D447 PolarHBondContact NZ-OD1 3.32Å; K409-D447 IonicContact NZ-OD2 3.39Å; K409-Q476 HydrophobicContact CD-CG 4.14Å; K409-L561 HydrophobicContact CB-CD1 4.43Å; K409-L561 HydrophobicContact CD-CD1 4.33Å; K409-N562 PolarHBondContact NZ-OD1 2.96Å; K409-D566 WeakPolarHBondContact CB-OD2 3.4Å; K409-D566 PolarHBondContact N-OD2 3.34Å
410	S	97.2	Very high	97.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	I	π-helix	trans	-128.7	-43	-174.8	152.9	0	0	0	0	112.4	V124 H129 R400 G406 V408 V412 G413 T414	V124-S410 WeakPolarHBondContact CG1-OG 3.18Å; H129-S410 PolarHBondContact NE2-OG 2.93Å; R400-S410 VanDerWaalsContact C-OG 3.26Å; R400-S410 WeakPolarHBondContact CA-OG 3.46Å; R400-S410 WeakPolarHBondContact O-CB 3.37Å; R400-S410 PolarHBondContact O-OG 3.4Å; G406-S410 PolarHBondContact O-N 2.78Å; V408-S410 PolarHBondContact O-N 3.1Å; S410-V412 PolarHBondContact O-N 3.28Å; S410-G413 PolarHBondContact O-N 3.24Å; S410-T414 WeakPolarHBondContact O-CB 3.38Å; S410-T414 PolarHBondContact O-N 3.11Å; S410-T414 PolarHBondContact O-OG1 2.79Å
411	G	97.8	Very high	97.5	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	I	π-helix	trans	-58.8	-51	-170	0	0	0	0	0	114	G406 A407 A415	G406-G411 PolarHBondContact O-N 2.95Å; A407-G411 CarbonylContact O-C 3.54Å; A407-G411 WeakPolarHBondContact O-CA 3.4Å; A407-G411 PolarHBondContact O-N 3.41Å; G411-A415 VanDerWaalsContact O-CB 3.31Å; G411-A415 WeakPolarHBondContact O-CB 3.44Å; G411-A415 PolarHBondContact O-N 3.44Å
412	V	97.9	Very high	97.5	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.012	3%	0.034	C	C	.	.	H	α-helix	trans	-59.1	-50.1	177.5	166.3	0	0	0	0	112.1	V121 A407 S410 A415 I416 A477 I478 L571 L579	V121-V412 HydrophobicContact CG2-CG2 4.25Å; A407-V412 WeakPolarHBondContact O-CG2 3.34Å; A407-V412 PolarHBondContact O-N 2.91Å; S410-V412 PolarHBondContact O-N 3.28Å; V412-A415 PolarHBondContact O-N 2.82Å; V412-I416 HydrophobicContact CG1-CD1 3.96Å; V412-I416 WeakPolarHBondContact O-CG1 3.25Å; V412-I416 PolarHBondContact O-N 2.91Å; V412-A477 HydrophobicContact CG1-CB 3.76Å; V412-I478 HydrophobicContact CG1-CB 3.85Å; V412-I478 HydrophobicContact CG1-CD1 3.76Å; V412-I478 HydrophobicContact CG1-CG1 3.63Å; V412-I478 HydrophobicContact CG2-CB 4.26Å; V412-L571 HydrophobicContact CG2-CD2 3.66Å; V412-L579 HydrophobicContact CG2-CD1 4.23Å
413	G	97.8	Very high	97.5	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.01	3%	0.033	C	C	.	.	H	α-helix	trans	-63.5	-46	-178	0	0	0	0	0	112	A398 S410 A415 I416 L417 L474	A398-G413 VanDerWaalsContact CB-C 3.46Å; A398-G413 WeakPolarHBondContact CB-O 3.36Å; S410-G413 PolarHBondContact O-N 3.24Å; G413-A415 VanDerWaalsContact C-N 3.33Å; G413-A415 PolarHBondContact O-N 3.01Å; G413-I416 PolarHBondContact O-N 3.47Å; G413-L417 WeakPolarHBondContact O-CB 3.37Å; G413-L417 PolarHBondContact O-N 2.98Å; G413-L474 WeakPolarHBondContact CA-O 3.3Å
414	T	98.2	Very high	97.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.9	-38.2	175.7	-64.3	0	0	0	0	112	V124 V143 Q399 S410 L418	V124-T414 HydrophobicContact CG2-CG2 3.85Å; V143-T414 HydrophobicContact CG2-CG2 4.03Å; Q399-T414 PolarHBondContact O-OG1 3.43Å; S410-T414 WeakPolarHBondContact O-CB 3.38Å; S410-T414 PolarHBondContact O-N 3.11Å; S410-T414 PolarHBondContact O-OG1 2.79Å; T414-L418 HydrophobicContact CG2-CD1 3.89Å; T414-L418 WeakPolarHBondContact O-CB 3.29Å; T414-L418 WeakPolarHBondContact O-CD1 3.18Å; T414-L418 VanDerWaalsContact O-CG 3.28Å; T414-L418 WeakPolarHBondContact O-CG 3.33Å; T414-L418 PolarHBondContact O-N 2.85Å; T414-L418 VanDerWaalsContact O-N 3.11Å
415	A	98.1	Very high	97.6	Very high	2 Å²	2	4.6 Å²	4.6	2%	0.017	2%	0.022	C	C	.	.	H	α-helix	trans	-65.4	-47.3	176.3	0	0	0	0	0	112.5	L117 T120 V121 G411 V412 G413 L418 E419	L117-A415 HydrophobicContact CD2-CB 4.12Å; T120-A415 HydrophobicContact CG2-CB 3.88Å; V121-A415 HydrophobicContact CG2-CB 3.64Å; G411-A415 VanDerWaalsContact O-CB 3.31Å; G411-A415 WeakPolarHBondContact O-CB 3.44Å; G411-A415 PolarHBondContact O-N 3.44Å; V412-A415 PolarHBondContact O-N 2.82Å; G413-A415 VanDerWaalsContact C-N 3.33Å; G413-A415 PolarHBondContact O-N 3.01Å; A415-L418 PolarHBondContact O-N 2.97Å; A415-E419 WeakPolarHBondContact O-CB 3.37Å; A415-E419 PolarHBondContact O-N 3.21Å
416	I	98.2	Very high	97.6	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-65.3	-40.1	178.2	-65.6	171.7	0	0	0	110.9	L117 V412 G413 L418 E419 L420 L474 A477 I478 L586 A587	L117-I416 HydrophobicContact CD2-CG1 4.2Å; V412-I416 HydrophobicContact CG1-CD1 3.96Å; V412-I416 WeakPolarHBondContact O-CG1 3.25Å; V412-I416 PolarHBondContact O-N 2.91Å; G413-I416 PolarHBondContact O-N 3.47Å; I416-L418 PolarHBondContact O-N 3.06Å; I416-E419 PolarHBondContact O-N 2.86Å; I416-L420 HydrophobicContact CG2-CD1 3.77Å; I416-L420 HydrophobicContact CG2-CG 4.21Å; I416-L420 WeakPolarHBondContact O-CB 3.43Å; I416-L420 VanDerWaalsContact O-CG 3.3Å; I416-L420 WeakPolarHBondContact O-CG 3.35Å; I416-L420 PolarHBondContact O-N 2.64Å; I416-L474 HydrophobicContact CB-CD1 4.48Å; I416-L474 HydrophobicContact CG2-CD1 4.09Å; I416-L474 HydrophobicContact CG2-CD2 4.01Å; I416-A477 HydrophobicContact CD1-CB 4.03Å; I416-I478 HydrophobicContact CD1-CD1 4.32Å; I416-L586 HydrophobicContact CD1-CB 4.43Å; I416-L586 HydrophobicContact CD1-CD2 3.99Å; I416-L586 HydrophobicContact CD1-CG 4.39Å; I416-A587 HydrophobicContact CG2-CB 4.08Å
417	L	98.5	Very high	97.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-57.8	-48.1	175.8	-178.6	71.6	0	0	0	111.9	F147 L396 A398 G413 A421 F440 V441 L474	F147-L417 HydrophobicContact CZ-CD2 4.12Å; F147-L417 HydrophobicContact CZ-CG 4.38Å; L396-L417 HydrophobicContact CB-CD1 4Å; L396-L417 VanDerWaalsContact O-CD1 3.28Å; L396-L417 WeakPolarHBondContact O-CD1 3.3Å; A398-L417 HydrophobicContact CB-CB 4.08Å; A398-L417 HydrophobicContact CB-CD2 4.03Å; G413-L417 WeakPolarHBondContact O-CB 3.37Å; G413-L417 PolarHBondContact O-N 2.98Å; L417-A421 WeakPolarHBondContact O-CB 3.42Å; L417-A421 PolarHBondContact O-N 3.02Å; L417-F440 HydrophobicContact CD1-CB 4.11Å; L417-F440 HydrophobicContact CD1-CD1 4.14Å; L417-V441 WeakPolarHBondContact CD2-O 3.4Å; L417-L474 HydrophobicContact CB-CD1 3.81Å; L417-L474 HydrophobicContact CD1-CD1 4.03Å
418	L	97.8	Very high	97.5	Very high	12 Å²	12	8 Å²	8	6%	0.063	4%	0.043	C	C	.	.	H	α-helix	trans	-66.8	-38.4	-179.8	-75.2	166.8	0	0	0	112.1	T120 V143 R146 F147 T414 A415 I416 A421 R422	T120-L418 HydrophobicContact CG2-CD1 3.73Å; V143-L418 HydrophobicContact CG1-CD2 4.39Å; R146-L418 HydrophobicContact CB-CD2 3.81Å; F147-L418 HydrophobicContact CD1-CD2 4.09Å; F147-L418 HydrophobicContact CE1-CD2 3.82Å; F147-L418 HydrophobicContact CZ-CD2 4.35Å; T414-L418 HydrophobicContact CG2-CD1 3.89Å; T414-L418 WeakPolarHBondContact O-CB 3.29Å; T414-L418 WeakPolarHBondContact O-CD1 3.18Å; T414-L418 VanDerWaalsContact O-CG 3.28Å; T414-L418 WeakPolarHBondContact O-CG 3.33Å; T414-L418 PolarHBondContact O-N 2.85Å; T414-L418 VanDerWaalsContact O-N 3.11Å; A415-L418 PolarHBondContact O-N 2.97Å; I416-L418 PolarHBondContact O-N 3.06Å; L418-A421 PolarHBondContact O-N 3.48Å; L418-R422 WeakPolarHBondContact O-CB 3.48Å; L418-R422 PolarHBondContact O-N 2.92Å
419	E	97.5	Very high	97.4	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-72.1	-38.3	179.6	175.1	58.9	-178.5	0	0	112.5	L112 Q113 L117 A415 I416 R422 T423	L112-E419 WeakPolarHBondContact CA-OE1 3.16Å; L112-E419 HydrophobicContact CD2-CG 3.96Å; Q113-E419 PolarHBondContact N-OE1 3.07Å; L117-E419 HydrophobicContact CD2-CB 3.78Å; L117-E419 HydrophobicContact CD2-CG 4.01Å; L117-E419 HydrophobicContact CG-CG 4.39Å; A415-E419 WeakPolarHBondContact O-CB 3.37Å; A415-E419 PolarHBondContact O-N 3.21Å; I416-E419 PolarHBondContact O-N 2.86Å; E419-R422 PolarHBondContact O-N 3.27Å; E419-R422 IonicContact OE1-CZ 2.75Å; E419-R422 IonicContact OE1-NE 3.99Å; E419-R422 IonicContact OE1-NH2 3.17Å; E419-R422 PolarHBondContact OE1-NH2 3.15Å; E419-R422 IonicContact OE2-CZ 2.73Å; E419-R422 VanDerWaalsContact OE2-CZ 3.25Å; E419-R422 IonicContact OE2-NE 2.74Å; E419-R422 PolarHBondContact OE2-NE 3.36Å; E419-R422 IonicContact OE2-NH2 3.42Å; E419-R422 PolarHBondContact OE2-NH2 2.9Å; E419-T423 VanDerWaalsContact O-CB 3.27Å; E419-T423 WeakPolarHBondContact O-CB 3.35Å; E419-T423 PolarHBondContact O-N 2.99Å; E419-T423 PolarHBondContact O-OG1 3.37Å
420	L	97.9	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-46	170.2	-73.8	172	0	0	0	111.3	L396 I416 R422 T423 F424 F440 L474 A587 V590	L396-L420 HydrophobicContact CD2-CD1 4.13Å; I416-L420 HydrophobicContact CG2-CD1 3.77Å; I416-L420 HydrophobicContact CG2-CG 4.21Å; I416-L420 WeakPolarHBondContact O-CB 3.43Å; I416-L420 VanDerWaalsContact O-CG 3.3Å; I416-L420 WeakPolarHBondContact O-CG 3.35Å; I416-L420 PolarHBondContact O-N 2.64Å; L420-R422 VanDerWaalsContact C-N 3.34Å; L420-R422 PolarHBondContact O-N 3.14Å; L420-T423 PolarHBondContact O-N 2.91Å; L420-F424 HydrophobicContact CD2-CE2 4.27Å; L420-F424 WeakPolarHBondContact O-CD2 3.47Å; L420-F424 PolarHBondContact O-N 3.17Å; L420-F440 HydrophobicContact CB-CE1 4.13Å; L420-L474 HydrophobicContact CD1-CD1 4.22Å; L420-L474 HydrophobicContact CD1-CD2 4.48Å; L420-A587 HydrophobicContact CD2-CB 4.23Å; L420-A587 WeakPolarHBondContact CD2-O 3.45Å; L420-A587 HydrophobicContact CG-CB 4.41Å; L420-V590 HydrophobicContact CD1-CB 4.15Å; L420-V590 HydrophobicContact CD1-CG1 3.73Å
421	A	98	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.6	0	0	0	0	0	111.7	F147 L150 M152 L417 L418 S425 F440	F147-A421 HydrophobicContact CD1-CB 4.16Å; F147-A421 HydrophobicContact CE1-CB 3.75Å; L150-A421 HydrophobicContact CD1-CB 3.78Å; M152-A421 HydrophobicContact CE-CB 4.41Å; L417-A421 WeakPolarHBondContact O-CB 3.42Å; L417-A421 PolarHBondContact O-N 3.02Å; L418-A421 PolarHBondContact O-N 3.48Å; A421-S425 WeakPolarHBondContact O-CB 3.39Å; A421-S425 PolarHBondContact O-N 3.27Å; A421-F440 VanDerWaalsContact CA-CE1 3.49Å; A421-F440 HydrophobicContact CB-CB 4.45Å; A421-F440 HydrophobicContact CB-CD1 3.68Å; A421-F440 HydrophobicContact CB-CD2 4.28Å; A421-F440 HydrophobicContact CB-CE1 3.92Å; A421-F440 HydrophobicContact CB-CE2 4.5Å; A421-F440 HydrophobicContact CB-CG 3.88Å; A421-F440 HydrophobicContact CB-CZ 4.33Å
422	R	97.2	Very high	97	Very high	42 Å²	42	20.4 Å²	20.4	16%	0.158	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-48.2	174.6	-173	-170.3	67.8	76.4	-2.2	111.1	L111 L150 L418 E419 L420 S425 T426	L111-R422 PolarHBondContact O-NH2 3.45Å; L150-R422 HydrophobicContact CD1-CB 4.48Å; L150-R422 HydrophobicContact CD2-CB 3.96Å; L150-R422 HydrophobicContact CD2-CG 3.93Å; L418-R422 WeakPolarHBondContact O-CB 3.48Å; L418-R422 PolarHBondContact O-N 2.92Å; E419-R422 PolarHBondContact O-N 3.27Å; E419-R422 IonicContact OE1-CZ 2.75Å; E419-R422 IonicContact OE1-NE 3.99Å; E419-R422 IonicContact OE1-NH2 3.17Å; E419-R422 PolarHBondContact OE1-NH2 3.15Å; E419-R422 IonicContact OE2-CZ 2.73Å; E419-R422 VanDerWaalsContact OE2-CZ 3.25Å; E419-R422 IonicContact OE2-NE 2.74Å; E419-R422 PolarHBondContact OE2-NE 3.36Å; E419-R422 IonicContact OE2-NH2 3.42Å; E419-R422 PolarHBondContact OE2-NH2 2.9Å; L420-R422 VanDerWaalsContact C-N 3.34Å; L420-R422 PolarHBondContact O-N 3.14Å; R422-S425 PolarHBondContact O-N 2.95Å; R422-T426 WeakPolarHBondContact O-CB 3.25Å; R422-T426 PolarHBondContact O-N 3.1Å; R422-T426 PolarHBondContact O-OG1 3.08Å; R422-T426 VanDerWaalsContact O-OG1 3.07Å
423	T	97.1	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-55	-178.2	-63.9	0	0	0	0	111.5	M108 L111 L112 E419 L420 S425 T426 M427	M108-T423 HydrophobicContact CG-CG2 3.85Å; L111-T423 HydrophobicContact CB-CG2 3.92Å; L112-T423 HydrophobicContact CD2-CG2 4.36Å; L112-T423 HydrophobicContact CG-CG2 4.42Å; E419-T423 VanDerWaalsContact O-CB 3.27Å; E419-T423 WeakPolarHBondContact O-CB 3.35Å; E419-T423 PolarHBondContact O-N 2.99Å; E419-T423 PolarHBondContact O-OG1 3.37Å; L420-T423 PolarHBondContact O-N 2.91Å; T423-S425 VanDerWaalsContact C-N 3.35Å; T423-S425 PolarHBondContact O-N 2.82Å; T423-T426 CarbonylContact O-C 3.6Å; T423-T426 PolarHBondContact O-N 3.4Å; T423-T426 VanDerWaalsContact O-N 3.13Å; T423-M427 HydrophobicContact CG2-SD 4.14Å; T423-M427 WeakPolarHBondContact O-CG 3.2Å; T423-M427 PolarHBondContact O-N 3.04Å
424	F	97.5	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-39.2	178.6	-81.2	-73.2	0	0	0	112.5	L385 L420 T426 M427 V428 F432 L438 F440 V594 L595	L385-F424 HydrophobicContact CD1-CB 3.89Å; L420-F424 HydrophobicContact CD2-CE2 4.27Å; L420-F424 WeakPolarHBondContact O-CD2 3.47Å; L420-F424 PolarHBondContact O-N 3.17Å; F424-T426 VanDerWaalsContact C-N 3.33Å; F424-T426 PolarHBondContact O-N 2.98Å; F424-M427 HydrophobicContact CD1-SD 4.29Å; F424-M427 PolarHBondContact O-N 3.43Å; F424-V428 WeakPolarHBondContact O-CG2 3.49Å; F424-V428 PolarHBondContact O-N 3.39Å; F424-F432 HydrophobicContact CD1-CE1 4.11Å; F424-F432 HydrophobicContact CE1-CE1 4.36Å; F424-L438 HydrophobicContact CB-CD1 3.92Å; F424-L438 HydrophobicContact CD1-CD1 3.64Å; F424-L438 HydrophobicContact CD2-CD1 4.33Å; F424-L438 HydrophobicContact CE1-CD1 4.22Å; F424-L438 HydrophobicContact CG-CD1 3.71Å; F424-F440 HydrophobicContact CB-CZ 4.06Å; F424-F440 HydrophobicContact CD2-CE1 4.4Å; F424-F440 HydrophobicContact CD2-CZ 4.05Å; F424-F440 HydrophobicContact CG-CZ 4.35Å; F424-V594 HydrophobicContact CE1-CG1 4.2Å; F424-V594 HydrophobicContact CE2-CB 4.34Å; F424-V594 HydrophobicContact CE2-CG1 3.85Å; F424-V594 HydrophobicContact CZ-CB 3.99Å; F424-V594 HydrophobicContact CZ-CG1 3.51Å; F424-L595 HydrophobicContact CE1-CD2 3.79Å; F424-L595 HydrophobicContact CE1-CG 3.94Å; F424-L595 HydrophobicContact CZ-CD2 4.46Å; F424-L595 HydrophobicContact CZ-CG 4.1Å
425	S	97.1	Very high	96.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-45	172.7	-174.8	0	0	0	0	112.1	L150 M152 A421 R422 T423 V428 K429	L150-S425 PolarHBondContact O-OG 2.92Å; M152-S425 VanDerWaalsContact SD-CB 3.56Å; A421-S425 WeakPolarHBondContact O-CB 3.39Å; A421-S425 PolarHBondContact O-N 3.27Å; R422-S425 PolarHBondContact O-N 2.95Å; T423-S425 VanDerWaalsContact C-N 3.35Å; T423-S425 PolarHBondContact O-N 2.82Å; S425-V428 PolarHBondContact O-N 3.34Å; S425-K429 WeakPolarHBondContact O-CG 3.42Å; S425-K429 PolarHBondContact O-N 3.06Å; S425-K429 VanDerWaalsContact O-N 3.12Å
426	T	96.7	Very high	96.4	Very high	39 Å²	39	24.3 Å²	24.3	24%	0.239	14%	0.141	C	C	.	.	H	α-helix	trans	-69.5	-34	177	-59.2	0	0	0	0	112.3	L111 R422 T423 F424 K429 N430	L111-T426 HydrophobicContact CD1-CG2 3.96Å; L111-T426 HydrophobicContact CD2-CG2 3.54Å; L111-T426 HydrophobicContact CG-CG2 4.42Å; R422-T426 WeakPolarHBondContact O-CB 3.25Å; R422-T426 PolarHBondContact O-N 3.1Å; R422-T426 PolarHBondContact O-OG1 3.08Å; R422-T426 VanDerWaalsContact O-OG1 3.07Å; T423-T426 CarbonylContact O-C 3.6Å; T423-T426 PolarHBondContact O-N 3.4Å; T423-T426 VanDerWaalsContact O-N 3.13Å; F424-T426 VanDerWaalsContact C-N 3.33Å; F424-T426 PolarHBondContact O-N 2.98Å; T426-K429 PolarHBondContact O-N 2.89Å; T426-N430 PolarHBondContact O-N 3Å; T426-N430 VanDerWaalsContact O-N 3.15Å; T426-N430 PolarHBondContact O-ND2 3.2Å
427	M	96.7	Very high	96.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-45.2	172.6	-67.5	176.4	69.9	0	0	111.6	L104 M107 M108 L111 T423 F424 K429 N430 G431 F432 L595	L104-M427 HydrophobicContact CB-CE 3.95Å; L104-M427 HydrophobicContact CD2-CE 4.04Å; L104-M427 WeakPolarHBondContact O-CE 3.3Å; M107-M427 HydrophobicContact CB-CE 4.44Å; M107-M427 HydrophobicContact CG-CG 4.16Å; M107-M427 HydrophobicContact SD-CB 3.96Å; M107-M427 HydrophobicContact SD-CE 4.47Å; M107-M427 HydrophobicContact SD-CG 3.82Å; M108-M427 HydrophobicContact CB-CE 4.15Å; M108-M427 HydrophobicContact CB-SD 3.79Å; M108-M427 HydrophobicContact CG-SD 4.22Å; L111-M427 HydrophobicContact CD1-CG 3.5Å; T423-M427 HydrophobicContact CG2-SD 4.14Å; T423-M427 WeakPolarHBondContact O-CG 3.2Å; T423-M427 PolarHBondContact O-N 3.04Å; F424-M427 HydrophobicContact CD1-SD 4.29Å; F424-M427 PolarHBondContact O-N 3.43Å; M427-K429 VanDerWaalsContact C-N 3.33Å; M427-K429 PolarHBondContact O-N 3.49Å; M427-N430 CarbonylContact O-C 3.55Å; M427-N430 WeakPolarHBondContact O-CA 3.42Å; M427-N430 PolarHBondContact O-N 3.39Å; M427-G431 PolarHBondContact O-N 2.9Å; M427-F432 HydrophobicContact CB-CB 4.03Å; M427-F432 HydrophobicContact CB-CD1 4.1Å; M427-F432 HydrophobicContact CB-CG 4.46Å; M427-F432 WeakPolarHBondContact O-CB 3.45Å; M427-F432 PolarHBondContact O-N 2.66Å; M427-F432 VanDerWaalsContact O-N 3.09Å; M427-L595 HydrophobicContact CE-CD1 4.44Å; M427-L595 HydrophobicContact CE-CD2 3.88Å
428	V	95.9	Very high	96.4	Very high	48 Å²	48	24.4 Å²	24.4	29%	0.291	14%	0.141	S	C	.	.	H	α-helix	trans	-60.4	-43.2	177.4	172.6	0	0	0	0	111.2	L385 F424 S425 N430 G431 F432 P434	L385-V428 HydrophobicContact CD1-CG2 4.12Å; L385-V428 HydrophobicContact CD2-CG2 4.38Å; F424-V428 WeakPolarHBondContact O-CG2 3.49Å; F424-V428 PolarHBondContact O-N 3.39Å; S425-V428 PolarHBondContact O-N 3.34Å; V428-N430 PolarHBondContact O-N 3.4Å; V428-G431 PolarHBondContact O-N 3.03Å; V428-F432 WeakPolarHBondContact CA-O 3.48Å; V428-F432 HydrophobicContact CG2-CD1 4.02Å; V428-P434 HydrophobicContact CG2-CG 4.38Å
429	K	94.8	Very high	96.4	Very high	108 Å²	108	24.3 Å²	24.3	47%	0.47	14%	0.141	S	C	.	.	H	α-helix	trans	-65	-17.9	174.7	-67.2	176.8	-167.6	-173.2	0	114.2	L150 S425 T426 M427	L150-K429 WeakPolarHBondContact O-CE 3.47Å; L150-K429 PolarHBondContact O-NZ 3.47Å; S425-K429 WeakPolarHBondContact O-CG 3.42Å; S425-K429 PolarHBondContact O-N 3.06Å; S425-K429 VanDerWaalsContact O-N 3.12Å; T426-K429 PolarHBondContact O-N 2.89Å; M427-K429 VanDerWaalsContact C-N 3.33Å; M427-K429 PolarHBondContact O-N 3.49Å
430	N	94.6	Very high	96.5	Very high	100 Å²	100	24 Å²	24	54%	0.535	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	18.8	173.9	-71.9	-71.5	0	0	0	113.1	M107 T426 M427 V428	M107-N430 HydrophobicContact CE-CB 4.16Å; M107-N430 HydrophobicContact SD-CB 3.99Å; T426-N430 PolarHBondContact O-N 3Å; T426-N430 VanDerWaalsContact O-N 3.15Å; T426-N430 PolarHBondContact O-ND2 3.2Å; M427-N430 CarbonylContact O-C 3.55Å; M427-N430 WeakPolarHBondContact O-CA 3.42Å; M427-N430 PolarHBondContact O-N 3.39Å; V428-N430 PolarHBondContact O-N 3.4Å
431	G	93.6	Very high	96.5	Very high	55 Å²	55	24 Å²	24	57%	0.567	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.3	2.5	169.4	0	0	0	0	0	116.1	M427 V428 S433	M427-G431 PolarHBondContact O-N 2.9Å; V428-G431 PolarHBondContact O-N 3.03Å; G431-S433 PolarHBondContact O-N 2.84Å
432	F	95.4	Very high	96.5	Very high	9 Å²	9	24 Å²	24	4%	0.039	14%	0.139	C	C	.	.			trans	-69.6	122.1	171.3	173.9	-131.7	0	0	0	111.1	L104 F424 M427 V428 P434 L595 V598	L104-F432 HydrophobicContact CD1-CD2 3.57Å; L104-F432 HydrophobicContact CD1-CE2 3.6Å; L104-F432 HydrophobicContact CD2-CB 3.77Å; L104-F432 HydrophobicContact CD2-CD2 3.47Å; L104-F432 VanDerWaalsContact CD2-CD2 3.47Å; L104-F432 HydrophobicContact CD2-CE2 4.3Å; L104-F432 HydrophobicContact CD2-CG 3.77Å; L104-F432 HydrophobicContact CG-CD2 4.18Å; F424-F432 HydrophobicContact CD1-CE1 4.11Å; F424-F432 HydrophobicContact CE1-CE1 4.36Å; M427-F432 HydrophobicContact CB-CB 4.03Å; M427-F432 HydrophobicContact CB-CD1 4.1Å; M427-F432 HydrophobicContact CB-CG 4.46Å; M427-F432 WeakPolarHBondContact O-CB 3.45Å; M427-F432 PolarHBondContact O-N 2.66Å; M427-F432 VanDerWaalsContact O-N 3.09Å; V428-F432 WeakPolarHBondContact CA-O 3.48Å; V428-F432 HydrophobicContact CG2-CD1 4.02Å; F432-P434 HydrophobicContact CE1-CB 3.86Å; F432-P434 HydrophobicContact CE1-CG 4.25Å; F432-P434 HydrophobicContact CE2-CB 4.44Å; F432-P434 HydrophobicContact CZ-CB 3.7Å; F432-P434 HydrophobicContact CZ-CG 4.49Å; F432-P434 WeakPolarHBondContact O-CD 3.4Å; F432-L595 HydrophobicContact CE1-CD2 4.41Å; F432-L595 HydrophobicContact CZ-CD2 4.19Å; F432-V598 HydrophobicContact CE1-CG2 4.27Å; F432-V598 HydrophobicContact CZ-CG2 3.76Å
433	S	94.3	Very high	96.6	Very high	61 Å²	61	22.3 Å²	22.3	43%	0.427	13%	0.133	S	C	.	.			trans	-108.9	95.4	172.5	-172.2	0	0	0	0	110.6	R388 G431 R435	R388-S433 PolarHBondContact NE-O 3.49Å; R388-S433 PolarHBondContact NH2-O 3.15Å; G431-S433 PolarHBondContact O-N 2.84Å; S433-R435 PolarHBondContact O-N 2.92Å
434	P	95.6	Very high	96.6	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.026	14%	0.135	C	C	.	.			trans	-59.7	135.5	179	23.1	-32.2	0	0	0	111	G387 R388 V428 F432 R436 V598	G387-P434 CarbonylContact C-O 3.6Å; G387-P434 VanDerWaalsContact CA-O 3.22Å; G387-P434 WeakPolarHBondContact CA-O 3.32Å; R388-P434 PolarHBondContact N-O 3.35Å; V428-P434 HydrophobicContact CG2-CG 4.38Å; F432-P434 HydrophobicContact CE1-CB 3.86Å; F432-P434 HydrophobicContact CE1-CG 4.25Å; F432-P434 HydrophobicContact CE2-CB 4.44Å; F432-P434 HydrophobicContact CZ-CB 3.7Å; F432-P434 HydrophobicContact CZ-CG 4.49Å; F432-P434 WeakPolarHBondContact O-CD 3.4Å; P434-R436 VanDerWaalsContact C-N 3.35Å; P434-V598 HydrophobicContact CB-CB 4.18Å; P434-V598 HydrophobicContact CB-CG2 4.36Å
435	R	94.4	Very high	96.5	Very high	21 Å²	21	22.7 Å²	22.7	8%	0.079	14%	0.135	C	C	.	.	S	Bend	trans	-67.1	-36.5	171.7	176.4	171.6	-78.3	-76.6	0.1	111.2	R388 E389 S433 V598 H601	R388-R435 PolarHBondContact N-O 3.34Å; E389-R435 WeakPolarHBondContact CA-O 3.41Å; E389-R435 WeakPolarHBondContact CB-O 3.27Å; E389-R435 HydrophobicContact CG-CG 4.36Å; E389-R435 PolarHBondContact N-O 2.82Å; E389-R435 WeakPolarHBondContact OE1-CD 3.32Å; E389-R435 WeakPolarHBondContact OE1-CG 3.28Å; E389-R435 IonicContact OE1-CZ 3.9Å; E389-R435 IonicContact OE1-NE 3.12Å; E389-R435 IonicContact OE1-NH1 3.95Å; E389-R435 PolarHBondContact OE1-NH1 2.99Å; S433-R435 PolarHBondContact O-N 2.92Å; R435-V598 WeakPolarHBondContact CB-O 3.36Å; R435-V598 PolarHBondContact N-O 2.93Å; R435-H601 PolarHBondContact NH2-CD2 3.09Å; R435-H601 PolarHBondContact NH2-NE2 2.99Å
436	R	95.9	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.1	-177.8	-54.6	-177.2	-173.8	78.1	8	110.2	Q392 P434 L597 V598 D600 H601 N671	Q392-R436 HydrophobicContact CB-CB 4.15Å; Q392-R436 HydrophobicContact CB-CG 4.05Å; Q392-R436 VanDerWaalsContact OE1-CD 3.24Å; P434-R436 VanDerWaalsContact C-N 3.35Å; R436-L597 WeakPolarHBondContact CD-O 3.44Å; R436-L597 PolarHBondContact NH1-O 2.65Å; R436-V598 HydrophobicContact CB-CG1 4.26Å; R436-V598 WeakPolarHBondContact O-CG1 3.48Å; R436-D600 PolarHBondContact NH1-O 2.86Å; R436-D600 PolarHBondContact NH2-O 2.72Å; R436-H601 PolarHBondContact NH2-O 3.26Å; R436-N671 PolarHBondContact NH2-ND2 2.71Å
437	S	97.8	Very high	96.4	Very high	4 Å²	4	21.2 Å²	21.2	3%	0.028	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	144.4	-176.6	-65.6	0	0	0	0	111.9	L385 G387 P390 Q392 Y393 V394	L385-S437 CarbonylContact O-C 3.57Å; L385-S437 VanDerWaalsContact O-CA 3.26Å; L385-S437 WeakPolarHBondContact O-CA 3.15Å; L385-S437 WeakPolarHBondContact O-CB 3.33Å; G387-S437 PolarHBondContact N-OG 3.31Å; P390-S437 WeakPolarHBondContact CA-OG 3.36Å; P390-S437 PolarHBondContact O-OG 3.37Å; Q392-S437 WeakPolarHBondContact O-CB 3.36Å; Q392-S437 PolarHBondContact O-N 3.49Å; Y393-S437 WeakPolarHBondContact CA-O 3.17Å; V394-S437 PolarHBondContact N-O 2.88Å
438	L	98.5	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.5	172.7	-68.4	165.8	0	0	0	109.4	S384 L385 V394 F424 F440 V594 V598	S384-L438 CarbonylContact C-O 3.45Å; S384-L438 WeakPolarHBondContact CA-O 3.32Å; S384-L438 WeakPolarHBondContact CB-O 3.39Å; L385-L438 HydrophobicContact CB-CB 4.32Å; L385-L438 HydrophobicContact CD1-CD1 4.08Å; L385-L438 PolarHBondContact N-O 2.94Å; L385-L438 PolarHBondContact O-N 2.97Å; V394-L438 HydrophobicContact CB-CD2 4.25Å; F424-L438 HydrophobicContact CB-CD1 3.92Å; F424-L438 HydrophobicContact CD1-CD1 3.64Å; F424-L438 HydrophobicContact CD2-CD1 4.33Å; F424-L438 HydrophobicContact CE1-CD1 4.22Å; F424-L438 HydrophobicContact CG-CD1 3.71Å; L438-F440 HydrophobicContact CB-CD2 4.44Å; L438-F440 HydrophobicContact CB-CE2 3.65Å; L438-F440 HydrophobicContact CB-CZ 4.09Å; L438-F440 HydrophobicContact CD1-CE2 4.38Å; L438-F440 HydrophobicContact CD1-CZ 4.21Å; L438-V594 HydrophobicContact CD2-CG1 3.35Å; L438-V598 HydrophobicContact CD2-CG1 3.63Å; L438-V598 HydrophobicContact CD2-CG2 4.45Å; L438-V598 HydrophobicContact CG-CG1 4.1Å
439	L	98.4	Very high	96.2	Very high	10 Å²	10	19.1 Å²	19.1	5%	0.052	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.2	176.3	-173.6	66	0	0	0	110.2	W156 F382 V394 I395 L396 V441 W456	W156-L439 HydrophobicContact CH2-CD1 3.72Å; W156-L439 HydrophobicContact CZ2-CD1 4.45Å; W156-L439 HydrophobicContact CZ3-CD1 4.44Å; F382-L439 HydrophobicContact CD1-CD1 4.04Å; F382-L439 HydrophobicContact CD1-CD2 4.31Å; F382-L439 HydrophobicContact CD1-CG 4.31Å; F382-L439 HydrophobicContact CE1-CD2 4.42Å; V394-L439 PolarHBondContact O-N 3Å; I395-L439 CarbonylContact C-O 3.55Å; I395-L439 WeakPolarHBondContact CA-O 3.46Å; I395-L439 HydrophobicContact CD1-CD2 4.46Å; I395-L439 HydrophobicContact CG1-CB 4.29Å; I395-L439 HydrophobicContact CG1-CD2 4.28Å; I395-L439 HydrophobicContact CG2-CB 4.48Å; I395-L439 HydrophobicContact CG2-CD2 4.36Å; L396-L439 PolarHBondContact N-O 3.32Å; L439-V441 HydrophobicContact CD2-CG2 4.26Å; L439-V441 HydrophobicContact CG-CG2 3.92Å; L439-W456 HydrophobicContact CD2-CH2 4.39Å; L439-W456 HydrophobicContact CD2-CZ2 4.09Å
440	F	98.7	Very high	96.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.8	177.9	-57.4	-93.4	0	0	0	109.1	F147 M152 F382 S383 L385 L396 L417 L420 A421 F424 L438	F147-F440 HydrophobicContact CE1-CB 4.26Å; F147-F440 HydrophobicContact CZ-CB 4.1Å; M152-F440 HydrophobicContact CE-CD2 3.55Å; M152-F440 HydrophobicContact CE-CE2 3.6Å; F382-F440 WeakPolarHBondContact CA-O 3.44Å; S383-F440 PolarHBondContact N-O 2.86Å; S383-F440 PolarHBondContact O-N 2.58Å; L385-F440 HydrophobicContact CD1-CE2 4.25Å; L396-F440 HydrophobicContact CB-CD1 4.08Å; L396-F440 HydrophobicContact CD1-CD1 3.84Å; L396-F440 HydrophobicContact CD1-CE1 3.4Å; L396-F440 VanDerWaalsContact CD1-CE1 3.4Å; L396-F440 HydrophobicContact CD1-CZ 4.08Å; L396-F440 CarbonylContact O-C 3.5Å; L396-F440 WeakPolarHBondContact O-CA 3.28Å; L417-F440 HydrophobicContact CD1-CB 4.11Å; L417-F440 HydrophobicContact CD1-CD1 4.14Å; L420-F440 HydrophobicContact CB-CE1 4.13Å; A421-F440 VanDerWaalsContact CA-CE1 3.49Å; A421-F440 HydrophobicContact CB-CB 4.45Å; A421-F440 HydrophobicContact CB-CD1 3.68Å; A421-F440 HydrophobicContact CB-CD2 4.28Å; A421-F440 HydrophobicContact CB-CE1 3.92Å; A421-F440 HydrophobicContact CB-CE2 4.5Å; A421-F440 HydrophobicContact CB-CG 3.88Å; A421-F440 HydrophobicContact CB-CZ 4.33Å; F424-F440 HydrophobicContact CB-CZ 4.06Å; F424-F440 HydrophobicContact CD2-CE1 4.4Å; F424-F440 HydrophobicContact CD2-CZ 4.05Å; F424-F440 HydrophobicContact CG-CZ 4.35Å; L438-F440 HydrophobicContact CB-CD2 4.44Å; L438-F440 HydrophobicContact CB-CE2 3.65Å; L438-F440 HydrophobicContact CB-CZ 4.09Å; L438-F440 HydrophobicContact CD1-CE2 4.38Å; L438-F440 HydrophobicContact CD1-CZ 4.21Å
441	V	98.6	Very high	96.1	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.4	-173.5	-159.5	0	0	0	0	112.4	I381 F382 I395 L396 G397 A398 L417 L439 W443	I381-V441 WeakPolarHBondContact O-CA 3.39Å; F382-V441 HydrophobicContact CD1-CB 4.19Å; F382-V441 HydrophobicContact CD1-CG1 3.66Å; F382-V441 HydrophobicContact CD1-CG2 3.57Å; F382-V441 HydrophobicContact CD2-CG1 4.39Å; F382-V441 HydrophobicContact CE1-CB 4.15Å; F382-V441 HydrophobicContact CE1-CG1 3.41Å; F382-V441 VanDerWaalsContact CE1-CG1 3.41Å; F382-V441 HydrophobicContact CE1-CG2 3.59Å; F382-V441 HydrophobicContact CE2-CG1 4.18Å; F382-V441 HydrophobicContact CG-CG1 4.14Å; F382-V441 HydrophobicContact CZ-CG1 3.69Å; I395-V441 HydrophobicContact CG2-CG2 4.04Å; L396-V441 PolarHBondContact O-N 3.3Å; G397-V441 WeakPolarHBondContact CA-O 3.23Å; A398-V441 PolarHBondContact N-O 3.38Å; L417-V441 WeakPolarHBondContact CD2-O 3.4Å; L439-V441 HydrophobicContact CD2-CG2 4.26Å; L439-V441 HydrophobicContact CG-CG2 3.92Å; V441-W443 HydrophobicContact CB-CD2 4.27Å; V441-W443 HydrophobicContact CB-CH2 4.22Å; V441-W443 HydrophobicContact CB-CZ2 3.79Å; V441-W443 HydrophobicContact CG1-CD2 3.66Å; V441-W443 HydrophobicContact CG1-CE3 3.62Å; V441-W443 HydrophobicContact CG1-CG 4.47Å; V441-W443 HydrophobicContact CG1-CH2 3.64Å; V441-W443 HydrophobicContact CG1-CZ2 3.65Å; V441-W443 HydrophobicContact CG1-CZ3 3.62Å; V441-W443 HydrophobicContact CG2-CH2 4.3Å; V441-W443 HydrophobicContact CG2-CZ2 3.99Å
442	S	98.6	Very high	96.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.8	168.9	174.3	0	0	0	0	108.9	N380 I381 A398 R400	N380-S442 WeakPolarHBondContact CA-O 3.35Å; I381-S442 PolarHBondContact N-O 3.34Å; I381-S442 PolarHBondContact O-N 3.12Å; A398-S442 CarbonylContact O-C 3.53Å; A398-S442 WeakPolarHBondContact O-CA 3.28Å; R400-S442 WeakPolarHBondContact CB-OG 3.49Å; R400-S442 WeakPolarHBondContact CD-OG 3.21Å; R400-S442 PolarHBondContact NH1-O 2.93Å; R400-S442 VanDerWaalsContact NH1-O 3.15Å; R400-S442 PolarHBondContact NH1-OG 3.26Å; R400-S442 VanDerWaalsContact NH1-OG 3.11Å
443	W	98.1	Very high	96.2	Very high	8 Å²	8	7.1 Å²	7.1	3%	0.03	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	153.8	-176.2	-57.9	120.1	0	0	0	112.3	N380 F382 A398 R400 V441 A453 W456 Y471 F539	N380-W443 HydrophobicContact CB-CE3 4.29Å; F382-W443 HydrophobicContact CE1-CH2 4.11Å; F382-W443 HydrophobicContact CE1-CZ3 4.29Å; F382-W443 HydrophobicContact CZ-CH2 4.03Å; F382-W443 AromaticContact CZ-CZ3 3.77Å; F382-W443 HydrophobicContact CZ-CZ3 3.77Å; A398-W443 PolarHBondContact O-N 3.48Å; R400-W443 VanDerWaalsContact CB-O 3.32Å; R400-W443 WeakPolarHBondContact CB-O 3.31Å; R400-W443 PolarHBondContact N-O 2.92Å; V441-W443 HydrophobicContact CB-CD2 4.27Å; V441-W443 HydrophobicContact CB-CH2 4.22Å; V441-W443 HydrophobicContact CB-CZ2 3.79Å; V441-W443 HydrophobicContact CG1-CD2 3.66Å; V441-W443 HydrophobicContact CG1-CE3 3.62Å; V441-W443 HydrophobicContact CG1-CG 4.47Å; V441-W443 HydrophobicContact CG1-CH2 3.64Å; V441-W443 HydrophobicContact CG1-CZ2 3.65Å; V441-W443 HydrophobicContact CG1-CZ3 3.62Å; V441-W443 HydrophobicContact CG2-CH2 4.3Å; V441-W443 HydrophobicContact CG2-CZ2 3.99Å; W443-A453 HydrophobicContact CD2-CB 3.66Å; W443-A453 VanDerWaalsContact CE3-CA 3.46Å; W443-A453 HydrophobicContact CE3-CB 3.92Å; W443-A453 HydrophobicContact CG-CB 3.97Å; W443-A453 HydrophobicContact CZ2-CB 4.32Å; W443-A453 HydrophobicContact CZ3-CB 4.34Å; W443-W456 HydrophobicContact CH2-CB 4.12Å; W443-W456 AromaticContact CH2-CD2 3.8Å; W443-W456 HydrophobicContact CH2-CD2 3.8Å; W443-W456 AromaticContact CH2-CE3 3.81Å; W443-W456 HydrophobicContact CH2-CE3 3.81Å; W443-W456 AromaticContact CH2-CG 3.94Å; W443-W456 HydrophobicContact CH2-CG 3.94Å; W443-W456 HydrophobicContact CZ3-CB 3.83Å; W443-W456 HydrophobicContact CZ3-CD2 4.34Å; W443-W456 AromaticContact CZ3-CG 3.99Å; W443-W456 HydrophobicContact CZ3-CG 3.99Å; W443-Y471 HydrophobicContact CZ2-CE2 4.38Å; W443-Y471 AromaticContact NE1-CE2 3.89Å; W443-Y471 AromaticContact NE1-CZ 3.83Å; W443-Y471 PolarHBondContact NE1-OH 3.48Å; W443-F539 HydrophobicContact CH2-CZ 4.45Å; W443-F539 HydrophobicContact CZ2-CE2 4.38Å; W443-F539 AromaticContact CZ2-CZ 3.82Å; W443-F539 HydrophobicContact CZ2-CZ 3.82Å
444	D	97.1	Very high	96.2	Very high	7 Å²	7	4.3 Å²	4.3	4%	0.037	2%	0.024	C	C	.	.	S	Bend	trans	-116.1	157.6	173.9	-149.6	-20.6	0	0	0	110.9	L378 N379 N380 R400 G446 G452	L378-D444 HydrophobicContact CB-CB 4.17Å; L378-D444 HydrophobicContact CD2-CB 4.27Å; N379-D444 PolarHBondContact N-OD2 2.86Å; N380-D444 PolarHBondContact OD1-N 3.39Å; N380-D444 VanDerWaalsContact OD1-N 3.16Å; R400-D444 IonicContact NH2-OD1 3.49Å; R400-D444 IonicContact NH2-OD2 2.75Å; R400-D444 PolarHBondContact NH2-OD2 2.91Å; D444-G446 VanDerWaalsContact C-N 3.34Å; D444-G446 PolarHBondContact O-N 3.25Å; D444-G452 VanDerWaalsContact O-CA 3.3Å; D444-G452 WeakPolarHBondContact O-CA 3.2Å; D444-G452 PolarHBondContact O-N 3.39Å
445	A	96.1	Very high	96	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.			trans	49.2	43.3	-175.3	0	0	0	0	0	116.2	P131 L164 L378 D401 F448 V451	P131-A445 HydrophobicContact CB-CB 4.02Å; P131-A445 HydrophobicContact CG-CB 3.69Å; L164-A445 HydrophobicContact CD1-CB 4.05Å; L164-A445 HydrophobicContact CD2-CB 4.35Å; L378-A445 HydrophobicContact CD1-CB 3.55Å; L378-A445 HydrophobicContact CD2-CB 3.66Å; L378-A445 HydrophobicContact CG-CB 4.28Å; D401-A445 PolarHBondContact OD1-N 2.92Å; D401-A445 WeakPolarHBondContact OD2-CA 3.49Å; A445-F448 HydrophobicContact CB-CB 4.28Å; A445-F448 HydrophobicContact CB-CD2 4.36Å; A445-F448 PolarHBondContact O-N 2.73Å; A445-V451 HydrophobicContact CB-CB 3.84Å; A445-V451 HydrophobicContact CB-CG2 4.24Å; A445-V451 PolarHBondContact O-N 2.94Å
446	G	95.4	Very high	95.9	Very high	7 Å²	7	4 Å²	4	7%	0.072	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-62.9	-38.6	165.7	0	0	0	0	0	113.3	D401 D444 F448 G449 N450	D401-G446 PolarHBondContact OD1-N 2.74Å; D401-G446 PolarHBondContact OD2-N 3.09Å; D444-G446 VanDerWaalsContact C-N 3.34Å; D444-G446 PolarHBondContact O-N 3.25Å; G446-F448 PolarHBondContact O-N 3.2Å; G446-G449 PolarHBondContact O-N 2.52Å; G446-G449 VanDerWaalsContact O-N 3.08Å; G446-N450 PolarHBondContact O-N 3.21Å; G446-N450 VanDerWaalsContact O-N 3.17Å
447	D	94.9	Very high	95.8	Very high	3 Å²	3	4 Å²	4	2%	0.016	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-64	-14	178.7	-108.3	-36	0	0	0	113.7	D401 S402 L403 K409	D401-D447 PolarHBondContact OD2-N 3.23Å; S402-D447 WeakPolarHBondContact CA-OD2 3.38Å; L403-D447 HydrophobicContact CD1-CB 4.31Å; L403-D447 HydrophobicContact CG-CB 3.97Å; L403-D447 WeakPolarHBondContact CG-OD2 3.39Å; L403-D447 PolarHBondContact N-OD2 3.39Å; K409-D447 VanDerWaalsContact CE-OD1 3.3Å; K409-D447 WeakPolarHBondContact CE-OD1 3.27Å; K409-D447 IonicContact NZ-OD1 2.78Å; K409-D447 PolarHBondContact NZ-OD1 3.32Å; K409-D447 IonicContact NZ-OD2 3.39Å
448	F	95.3	Very high	95.4	Very high	3 Å²	3	4.5 Å²	4.5	1%	0.013	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-101.8	20.8	179.9	-68.4	-98	0	0	0	112.2	P131 L164 Q165 P197 Y198 L403 A445 G446 V451	P131-F448 HydrophobicContact CG-CD2 3.84Å; P131-F448 HydrophobicContact CG-CE2 3.81Å; L164-F448 HydrophobicContact CB-CD1 3.98Å; L164-F448 HydrophobicContact CB-CE1 3.86Å; L164-F448 HydrophobicContact CB-CZ 4.42Å; L164-F448 HydrophobicContact CD1-CD1 4.24Å; L164-F448 HydrophobicContact CD1-CD2 4.04Å; L164-F448 HydrophobicContact CD1-CE1 4.33Å; L164-F448 HydrophobicContact CD1-CE2 4.16Å; L164-F448 HydrophobicContact CD1-CG 4.09Å; L164-F448 HydrophobicContact CD1-CZ 4.3Å; L164-F448 HydrophobicContact CD2-CB 4Å; L164-F448 HydrophobicContact CD2-CD1 3.89Å; L164-F448 HydrophobicContact CD2-CG 3.91Å; L164-F448 HydrophobicContact CG-CD1 4.25Å; L164-F448 HydrophobicContact CG-CE1 4.5Å; L164-F448 HydrophobicContact CG-CG 4.44Å; Q165-F448 WeakPolarHBondContact O-CE1 3.26Å; P197-F448 HydrophobicContact CB-CD1 3.9Å; P197-F448 HydrophobicContact CB-CE1 3.82Å; P197-F448 HydrophobicContact CG-CE1 4.2Å; P197-F448 HydrophobicContact CG-CZ 4.47Å; Y198-F448 HydrophobicContact CE2-CB 3.94Å; Y198-F448 AromaticContact CE2-CD1 3.89Å; Y198-F448 HydrophobicContact CE2-CD1 3.89Å; Y198-F448 HydrophobicContact CE2-CG 4.43Å; Y198-F448 WeakPolarHBondContact CE2-O 3.39Å; Y198-F448 AromaticContact CZ-CD1 3.92Å; L403-F448 HydrophobicContact CD2-CE2 4.04Å; L403-F448 HydrophobicContact CD2-CZ 4.16Å; A445-F448 HydrophobicContact CB-CB 4.28Å; A445-F448 HydrophobicContact CB-CD2 4.36Å; A445-F448 PolarHBondContact O-N 2.73Å; G446-F448 PolarHBondContact O-N 3.2Å; F448-V451 HydrophobicContact CB-CG2 3.71Å; F448-V451 WeakPolarHBondContact O-CG2 3.29Å
449	G	93.3	Very high	95	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.01	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	45	-180	0	0	0	0	0	112.8	S291 G292 G446 V451	S291-G449 WeakPolarHBondContact CA-O 2.93Å; S291-G449 WeakPolarHBondContact CB-O 3.39Å; S291-G449 PolarHBondContact OG-O 3.08Å; G292-G449 PolarHBondContact N-O 3.35Å; G446-G449 PolarHBondContact O-N 2.52Å; G446-G449 VanDerWaalsContact O-N 3.08Å; G449-V451 PolarHBondContact O-N 3.12Å
450	N	94.5	Very high	94.4	Very high	16 Å²	16	11.7 Å²	11.7	9%	0.086	6%	0.059	C	C	.	.	S	Bend	trans	55.6	45.4	177.2	-50.4	-39.6	0	0	0	113.5	G446 A453 T454 S534	G446-N450 PolarHBondContact O-N 3.21Å; G446-N450 VanDerWaalsContact O-N 3.17Å; N450-A453 HydrophobicContact CB-CB 4.37Å; N450-A453 PolarHBondContact O-N 2.56Å; N450-T454 WeakPolarHBondContact O-CB 3.48Å; N450-T454 PolarHBondContact O-N 3.34Å; N450-T454 PolarHBondContact O-OG1 2.86Å; N450-S534 PolarHBondContact ND2-O 3.26Å
451	V	94.7	Very high	93.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-61	-175.5	179.2	0	0	0	0	110.5	A162 L164 D293 L378 A445 F448 G449 A453 T454 E455	A162-V451 HydrophobicContact CB-CG1 4Å; L164-V451 HydrophobicContact CD2-CG2 4.24Å; D293-V451 HydrophobicContact CB-CG1 4.2Å; L378-V451 HydrophobicContact CD1-CB 4.25Å; L378-V451 HydrophobicContact CD1-CG1 3.76Å; A445-V451 HydrophobicContact CB-CB 3.84Å; A445-V451 HydrophobicContact CB-CG2 4.24Å; A445-V451 PolarHBondContact O-N 2.94Å; F448-V451 HydrophobicContact CB-CG2 3.71Å; F448-V451 WeakPolarHBondContact O-CG2 3.29Å; G449-V451 PolarHBondContact O-N 3.12Å; V451-A453 PolarHBondContact O-N 3.34Å; V451-A453 VanDerWaalsContact O-N 3.1Å; V451-T454 PolarHBondContact O-N 3.05Å; V451-E455 HydrophobicContact CG1-CG 4.02Å; V451-E455 WeakPolarHBondContact O-CG 3.5Å; V451-E455 PolarHBondContact O-N 2.73Å
452	G	94.4	Very high	92.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-31.6	-176.3	0	0	0	0	0	114	N380 D444	N380-G452 PolarHBondContact ND2-O 3.2Å; D444-G452 VanDerWaalsContact O-CA 3.3Å; D444-G452 WeakPolarHBondContact O-CA 3.2Å; D444-G452 PolarHBondContact O-N 3.39Å
453	A	95.2	Very high	92.3	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	12%	0.117	C	C	.	.	H	α-helix	trans	-73.2	-38.7	173.8	0	0	0	0	0	112.9	W443 N450 V451 L457 F539	W443-A453 HydrophobicContact CD2-CB 3.66Å; W443-A453 VanDerWaalsContact CE3-CA 3.46Å; W443-A453 HydrophobicContact CE3-CB 3.92Å; W443-A453 HydrophobicContact CG-CB 3.97Å; W443-A453 HydrophobicContact CZ2-CB 4.32Å; W443-A453 HydrophobicContact CZ3-CB 4.34Å; N450-A453 HydrophobicContact CB-CB 4.37Å; N450-A453 PolarHBondContact O-N 2.56Å; V451-A453 PolarHBondContact O-N 3.34Å; V451-A453 VanDerWaalsContact O-N 3.1Å; A453-L457 WeakPolarHBondContact O-CG 3.21Å; A453-L457 PolarHBondContact O-N 2.93Å; A453-L457 VanDerWaalsContact O-N 3.15Å; A453-F539 HydrophobicContact CB-CE2 4.45Å
454	T	93.7	Very high	91.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-81.1	-37.3	-174	-52.8	0	0	0	0	112.2	S291 N450 V451 W456 L457 E458 S538	S291-T454 PolarHBondContact OG-OG1 3.45Å; N450-T454 WeakPolarHBondContact O-CB 3.48Å; N450-T454 PolarHBondContact O-N 3.34Å; N450-T454 PolarHBondContact O-OG1 2.86Å; V451-T454 PolarHBondContact O-N 3.05Å; T454-W456 PolarHBondContact O-N 3.14Å; T454-L457 CarbonylContact O-C 3.52Å; T454-L457 WeakPolarHBondContact O-CA 3.26Å; T454-L457 WeakPolarHBondContact O-CB 3.2Å; T454-L457 PolarHBondContact O-N 2.72Å; T454-E458 WeakPolarHBondContact O-CG 3.18Å; T454-E458 PolarHBondContact O-N 2.86Å; T454-S538 PolarHBondContact OG1-OG 2.98Å
455	E	92.1	Very high	91	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-55	-42.5	170.6	-60.5	-43.8	113.3	0	0	111.2	L160 G292 D293 T296 S301 V451 E458 V459	L160-E455 HydrophobicContact CD1-CB 4.43Å; L160-E455 HydrophobicContact CD1-CG 3.91Å; L160-E455 HydrophobicContact CD2-CB 3.66Å; L160-E455 HydrophobicContact CD2-CG 4.06Å; G292-E455 WeakPolarHBondContact CA-OE1 3.39Å; D293-E455 PolarHBondContact N-OE1 2.8Å; T296-E455 PolarHBondContact OG1-OE2 3.47Å; S301-E455 WeakPolarHBondContact CB-OE2 3.46Å; S301-E455 PolarHBondContact N-OE2 3.19Å; V451-E455 HydrophobicContact CG1-CG 4.02Å; V451-E455 WeakPolarHBondContact O-CG 3.5Å; V451-E455 PolarHBondContact O-N 2.73Å; E455-E458 WeakPolarHBondContact O-CB 3.47Å; E455-E458 PolarHBondContact O-N 3Å; E455-E458 VanDerWaalsContact O-N 3.17Å; E455-V459 PolarHBondContact O-N 3.36Å; E455-V459 VanDerWaalsContact O-N 3.15Å
456	W	93.2	Very high	90.7	Very high	15 Å²	15	26.2 Å²	26.2	6%	0.057	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-40.9	174.6	-176.7	85.5	0	0	0	112.3	F382 I395 L439 W443 T454 E458 V459 Y460 L464 F539	F382-W456 AromaticContact CE1-CE2 3.97Å; F382-W456 HydrophobicContact CE1-CZ2 4.44Å; F382-W456 AromaticContact CE1-NE1 3.62Å; F382-W456 AromaticContact CZ-CD1 3.43Å; F382-W456 VanDerWaalsContact CZ-CD1 3.43Å; F382-W456 HydrophobicContact CZ-CD2 4.44Å; F382-W456 HydrophobicContact CZ-CG 4.03Å; F382-W456 AromaticContact CZ-NE1 3.44Å; I395-W456 HydrophobicContact CD1-CH2 3.8Å; I395-W456 HydrophobicContact CD1-CZ3 4.19Å; L439-W456 HydrophobicContact CD2-CH2 4.39Å; L439-W456 HydrophobicContact CD2-CZ2 4.09Å; W443-W456 HydrophobicContact CH2-CB 4.12Å; W443-W456 AromaticContact CH2-CD2 3.8Å; W443-W456 HydrophobicContact CH2-CD2 3.8Å; W443-W456 AromaticContact CH2-CE3 3.81Å; W443-W456 HydrophobicContact CH2-CE3 3.81Å; W443-W456 AromaticContact CH2-CG 3.94Å; W443-W456 HydrophobicContact CH2-CG 3.94Å; W443-W456 HydrophobicContact CZ3-CB 3.83Å; W443-W456 HydrophobicContact CZ3-CD2 4.34Å; W443-W456 AromaticContact CZ3-CG 3.99Å; W443-W456 HydrophobicContact CZ3-CG 3.99Å; T454-W456 PolarHBondContact O-N 3.14Å; W456-E458 PolarHBondContact O-N 2.79Å; W456-V459 PolarHBondContact O-N 3.23Å; W456-Y460 AromaticContact CD1-CE2 3.89Å; W456-Y460 HydrophobicContact CD2-CD2 4.21Å; W456-Y460 HydrophobicContact CD2-CE2 4.5Å; W456-Y460 AromaticContact CE2-CD2 3.87Å; W456-Y460 AromaticContact CE2-CE2 3.9Å; W456-Y460 HydrophobicContact CG-CD2 4.48Å; W456-Y460 HydrophobicContact CG-CE2 4.5Å; W456-Y460 HydrophobicContact CZ2-CD2 4.19Å; W456-Y460 HydrophobicContact CZ2-CE2 4.39Å; W456-Y460 AromaticContact NE1-CD2 3.94Å; W456-Y460 AromaticContact NE1-CE2 3.51Å; W456-Y460 VanDerWaalsContact O-CD2 3.28Å; W456-Y460 WeakPolarHBondContact O-CD2 3.22Å; W456-L464 HydrophobicContact CH2-CD2 3.79Å; W456-L464 HydrophobicContact CZ3-CD2 3.78Å; W456-F539 HydrophobicContact CE3-CZ 4.42Å; W456-F539 AromaticContact CZ3-CE1 3.98Å; W456-F539 HydrophobicContact CZ3-CE1 3.98Å; W456-F539 HydrophobicContact CZ3-CZ 4.24Å
457	L	93.1	Very high	90.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-33.8	173.4	-68.6	173.4	0	0	0	112.3	A453 T454 Y460 L461 L464 F539 F542 A543	A453-L457 WeakPolarHBondContact O-CG 3.21Å; A453-L457 PolarHBondContact O-N 2.93Å; A453-L457 VanDerWaalsContact O-N 3.15Å; T454-L457 CarbonylContact O-C 3.52Å; T454-L457 WeakPolarHBondContact O-CA 3.26Å; T454-L457 WeakPolarHBondContact O-CB 3.2Å; T454-L457 PolarHBondContact O-N 2.72Å; L457-Y460 CarbonylContact O-C 3.58Å; L457-Y460 PolarHBondContact O-N 2.84Å; L457-L461 WeakPolarHBondContact O-CA 3.17Å; L457-L461 WeakPolarHBondContact O-CB 3.49Å; L457-L461 PolarHBondContact O-N 3Å; L457-L464 HydrophobicContact CB-CD1 4.32Å; L457-L464 HydrophobicContact CD2-CD1 3.49Å; L457-L464 VanDerWaalsContact CD2-CD1 3.49Å; L457-F539 HydrophobicContact CD1-CD2 3.99Å; L457-F539 HydrophobicContact CD1-CE2 4.12Å; L457-F539 HydrophobicContact CD1-CG 4.23Å; L457-F539 HydrophobicContact CD1-CZ 4.5Å; L457-F539 HydrophobicContact CD2-CD1 3.74Å; L457-F539 HydrophobicContact CD2-CD2 4.45Å; L457-F539 HydrophobicContact CD2-CE1 3.62Å; L457-F539 HydrophobicContact CD2-CE2 4.32Å; L457-F539 HydrophobicContact CD2-CG 4.15Å; L457-F539 HydrophobicContact CD2-CZ 3.9Å; L457-F539 HydrophobicContact CG-CE2 4.41Å; L457-F539 HydrophobicContact CG-CZ 4.32Å; L457-F542 HydrophobicContact CB-CD1 4.23Å; L457-F542 HydrophobicContact CB-CE1 4.29Å; L457-A543 HydrophobicContact CB-CB 4.4Å; L457-A543 HydrophobicContact CD1-CB 4.34Å; L457-A543 HydrophobicContact CD2-CB 3.83Å; L457-A543 HydrophobicContact CG-CB 4.43Å
458	E	90.4	Very high	90.6	Very high	15 Å²	15	29.8 Å²	29.8	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-71.7	-37.7	-179.4	-71.5	-173.4	168	0	0	113	G298 F299 P300 T454 E455 W456 Y460 F542	G298-E458 WeakPolarHBondContact CA-OE1 3.23Å; G298-E458 PolarHBondContact N-OE1 3.05Å; F299-E458 WeakPolarHBondContact CA-OE2 3.23Å; F299-E458 PolarHBondContact N-OE2 2.96Å; F299-E458 VanDerWaalsContact O-OE2 3.11Å; P300-E458 HydrophobicContact CB-CB 4.24Å; T454-E458 WeakPolarHBondContact O-CG 3.18Å; T454-E458 PolarHBondContact O-N 2.86Å; E455-E458 WeakPolarHBondContact O-CB 3.47Å; E455-E458 PolarHBondContact O-N 3Å; E455-E458 VanDerWaalsContact O-N 3.17Å; W456-E458 PolarHBondContact O-N 2.79Å; E458-Y460 PolarHBondContact O-N 3.27Å; E458-F542 HydrophobicContact CG-CE1 3.57Å; E458-F542 HydrophobicContact CG-CZ 3.53Å
459	V	88.8	Confident	90.6	Very high	68 Å²	68	29.6 Å²	29.6	41%	0.412	15%	0.153	S	C	.	.	H	α-helix	trans	-54.7	-39.5	170.5	-179.9	0	0	0	0	111.5	P300 E455 W456	P300-V459 HydrophobicContact CB-CG2 3.53Å; P300-V459 HydrophobicContact CG-CG2 3.83Å; E455-V459 PolarHBondContact O-N 3.36Å; E455-V459 VanDerWaalsContact O-N 3.15Å; W456-V459 PolarHBondContact O-N 3.23Å
460	Y	87.4	Confident	90.9	Very high	94 Å²	94	29.6 Å²	29.6	37%	0.369	15%	0.152	S	C	.	.	H	α-helix	trans	-111.4	9.3	-169.4	-58.4	-67.8	0	0	0	115	W456 L457 E458 S462 M463 L464	W456-Y460 AromaticContact CD1-CE2 3.89Å; W456-Y460 HydrophobicContact CD2-CD2 4.21Å; W456-Y460 HydrophobicContact CD2-CE2 4.5Å; W456-Y460 AromaticContact CE2-CD2 3.87Å; W456-Y460 AromaticContact CE2-CE2 3.9Å; W456-Y460 HydrophobicContact CG-CD2 4.48Å; W456-Y460 HydrophobicContact CG-CE2 4.5Å; W456-Y460 HydrophobicContact CZ2-CD2 4.19Å; W456-Y460 HydrophobicContact CZ2-CE2 4.39Å; W456-Y460 AromaticContact NE1-CD2 3.94Å; W456-Y460 AromaticContact NE1-CE2 3.51Å; W456-Y460 VanDerWaalsContact O-CD2 3.28Å; W456-Y460 WeakPolarHBondContact O-CD2 3.22Å; L457-Y460 CarbonylContact O-C 3.58Å; L457-Y460 PolarHBondContact O-N 2.84Å; E458-Y460 PolarHBondContact O-N 3.27Å; Y460-S462 PolarHBondContact O-N 3.48Å; Y460-M463 PolarHBondContact O-N 3.24Å; Y460-L464 WeakPolarHBondContact O-CG 3.32Å; Y460-L464 PolarHBondContact O-N 3.34Å
461	L	83.4	Confident	91	Very high	28 Å²	28	28.8 Å²	28.8	15%	0.147	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.3	-170.8	-177.1	60.4	0	0	0	115	L457 F542 A543	L457-L461 WeakPolarHBondContact O-CA 3.17Å; L457-L461 WeakPolarHBondContact O-CB 3.49Å; L457-L461 PolarHBondContact O-N 3Å; L461-F542 HydrophobicContact CD1-CD1 4Å; L461-F542 HydrophobicContact CD1-CE1 3.66Å; L461-F542 HydrophobicContact CD1-CZ 4.06Å; L461-F542 HydrophobicContact CD2-CE1 4.03Å; L461-F542 HydrophobicContact CD2-CE2 4.3Å; L461-F542 HydrophobicContact CD2-CZ 3.62Å; L461-F542 HydrophobicContact CG-CE1 4.31Å; L461-F542 HydrophobicContact CG-CZ 4.39Å; L461-A543 HydrophobicContact CD1-CB 4.22Å
462	S	80.9	Confident	91.2	Very high	79 Å²	79	28.8 Å²	28.8	55%	0.552	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.7	178.6	58.8	0	0	0	0	114.2	Y460 H465	Y460-S462 PolarHBondContact O-N 3.48Å; S462-H465 PolarHBondContact O-CE1 2.91Å; S462-H465 VanDerWaalsContact O-CE1 3.29Å
463	M	86.8	Confident	91.4	Very high	105 Å²	105	28.8 Å²	28.8	52%	0.517	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-18.9	-171.7	-60.7	-170.4	-172.9	0	0	114.6	Y460 H465 L466	Y460-M463 PolarHBondContact O-N 3.24Å; M463-H465 VanDerWaalsContact C-N 3.29Å; M463-H465 PolarHBondContact O-N 3.24Å; M463-L466 WeakPolarHBondContact O-CB 3.37Å; M463-L466 PolarHBondContact O-N 2.76Å
464	L	86.2	Confident	91.5	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-55	-41.6	-175.5	-80.6	162.6	0	0	0	113.3	W456 L457 Y460 L466 K467 A468 A543 V545	W456-L464 HydrophobicContact CH2-CD2 3.79Å; W456-L464 HydrophobicContact CZ3-CD2 3.78Å; L457-L464 HydrophobicContact CB-CD1 4.32Å; L457-L464 HydrophobicContact CD2-CD1 3.49Å; L457-L464 VanDerWaalsContact CD2-CD1 3.49Å; Y460-L464 WeakPolarHBondContact O-CG 3.32Å; Y460-L464 PolarHBondContact O-N 3.34Å; L464-L466 PolarHBondContact O-N 3.03Å; L464-K467 CarbonylContact O-C 3.54Å; L464-K467 PolarHBondContact O-N 3.19Å; L464-A468 HydrophobicContact CD2-CB 4.11Å; L464-A468 PolarHBondContact O-N 3.01Å; L464-A543 HydrophobicContact CD1-CB 3.89Å; L464-V545 HydrophobicContact CB-CG2 4.02Å
465	H	81.9	Confident	91.6	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.083	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-65.3	-8	178.2	73.5	-89.8	0	0	0	115.2	S462 M463 Y679	S462-H465 PolarHBondContact O-CE1 2.91Å; S462-H465 VanDerWaalsContact O-CE1 3.29Å; M463-H465 VanDerWaalsContact C-N 3.29Å; M463-H465 PolarHBondContact O-N 3.24Å; H465-Y679 VanDerWaalsContact CB-CB 3.4Å; H465-Y679 HydrophobicContact CB-CD1 4.21Å; H465-Y679 HydrophobicContact CB-CD2 3.53Å; H465-Y679 HydrophobicContact CB-CE2 4.33Å; H465-Y679 HydrophobicContact CB-CG 3.45Å; H465-Y679 VanDerWaalsContact CB-CG 3.45Å; H465-Y679 AromaticContact CD2-CD1 3.92Å; H465-Y679 AromaticContact CE1-CE1 3.75Å; H465-Y679 AromaticContact CE1-CZ 3.68Å; H465-Y679 AromaticContact CG-CD1 3.75Å; H465-Y679 AromaticContact CG-CD2 3.6Å; H465-Y679 AromaticContact CG-CE2 3.97Å; H465-Y679 AromaticContact CG-CG 3.47Å; H465-Y679 VanDerWaalsContact CG-CG 3.47Å; H465-Y679 AromaticContact ND1-CD1 3.88Å; H465-Y679 AromaticContact ND1-CD2 3.49Å; H465-Y679 WeakPolarHBondContact ND1-CD2 3.39Å; H465-Y679 AromaticContact ND1-CE1 3.78Å; H465-Y679 AromaticContact ND1-CE2 3.36Å; H465-Y679 WeakPolarHBondContact ND1-CE2 3.36Å; H465-Y679 AromaticContact ND1-CG 3.74Å; H465-Y679 AromaticContact ND1-CZ 3.52Å
466	L	88.3	Confident	91.8	Very high	81 Å²	81	29.7 Å²	29.7	42%	0.424	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-98.1	-8.1	173.1	-56.1	176.3	0	0	0	112.4	M463 L464	M463-L466 WeakPolarHBondContact O-CB 3.37Å; M463-L466 PolarHBondContact O-N 2.76Å; L464-L466 PolarHBondContact O-N 3.03Å
467	K	93.2	Very high	91.9	Very high	82 Å²	82	29 Å²	29	36%	0.357	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-53.9	-171.2	-58.7	-158.1	-175.8	-173.3	0	114	D391 Q392 Y393 L464 V469 M675	D391-K467 VanDerWaalsContact O-CA 3.27Å; D391-K467 WeakPolarHBondContact O-CA 3.41Å; D391-K467 WeakPolarHBondContact O-CB 3.32Å; D391-K467 WeakPolarHBondContact O-CG 3.28Å; Q392-K467 CarbonylContact C-O 3.53Å; Q392-K467 VanDerWaalsContact CA-O 3.31Å; Q392-K467 WeakPolarHBondContact CA-O 3.44Å; Y393-K467 HydrophobicContact CD2-CB 3.84Å; Y393-K467 HydrophobicContact CD2-CD 4.41Å; Y393-K467 HydrophobicContact CE2-CB 3.9Å; Y393-K467 HydrophobicContact CE2-CD 3.62Å; Y393-K467 HydrophobicContact CE2-CG 4.4Å; Y393-K467 PolarHBondContact N-O 3.47Å; L464-K467 CarbonylContact O-C 3.54Å; L464-K467 PolarHBondContact O-N 3.19Å; K467-V469 PolarHBondContact O-N 3.38Å; K467-M675 WeakPolarHBondContact O-CE 3.38Å
468	A	95.6	Very high	92.1	Very high	2 Å²	2	29 Å²	29	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.3	-179.8	0	0	0	0	0	110.1	I395 L464 V545	I395-A468 HydrophobicContact CD1-CB 3.9Å; L464-A468 HydrophobicContact CD2-CB 4.11Å; L464-A468 PolarHBondContact O-N 3.01Å; A468-V545 HydrophobicContact CB-CB 4.44Å; A468-V545 HydrophobicContact CB-CG1 3.71Å; A468-V545 HydrophobicContact CB-CG2 3.79Å
469	V	96.6	Very high	92.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-48.9	179.7	169.8	0	0	0	0	110.6	Q392 Y393 V394 K467 P546 L597 L603 M675	Q392-V469 HydrophobicContact CB-CG2 3.91Å; Q392-V469 HydrophobicContact CG-CG2 4.19Å; Y393-V469 WeakPolarHBondContact O-CB 3.4Å; Y393-V469 PolarHBondContact O-N 2.7Å; V394-V469 HydrophobicContact CG2-CB 4.12Å; V394-V469 HydrophobicContact CG2-CG1 4.16Å; K467-V469 PolarHBondContact O-N 3.38Å; V469-P546 WeakPolarHBondContact O-CD 3.32Å; V469-L597 HydrophobicContact CG1-CD2 3.97Å; V469-L603 HydrophobicContact CG1-CD1 3.99Å; V469-L603 HydrophobicContact CG1-CD2 3.37Å; V469-L603 HydrophobicContact CG1-CG 4.31Å; V469-L603 HydrophobicContact CG2-CD2 4.45Å; V469-M675 HydrophobicContact CG2-CE 3.95Å; V469-M675 HydrophobicContact CG2-SD 4.03Å
470	A	97.6	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	156.7	177.7	0	0	0	0	0	110.4	I395 F472 L492 P546 L597	I395-A470 PolarHBondContact N-O 3.36Å; A470-F472 HydrophobicContact CB-CE2 4.24Å; A470-L492 HydrophobicContact CB-CD2 4.14Å; A470-P546 CarbonylContact C-O 3.47Å; A470-P546 WeakPolarHBondContact CA-O 3.11Å; A470-L597 HydrophobicContact CB-CD1 3.92Å
471	Y	98.3	Very high	93	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.3	171.6	176.1	-101.4	0	0	0	111.5	I395 W443 G535 A536 F539 P546 A547 M548	I395-Y471 HydrophobicContact CB-CD2 3.85Å; I395-Y471 HydrophobicContact CG2-CD2 3.61Å; I395-Y471 HydrophobicContact CG2-CE2 3.97Å; I395-Y471 WeakPolarHBondContact O-CA 3.48Å; W443-Y471 HydrophobicContact CZ2-CE2 4.38Å; W443-Y471 AromaticContact NE1-CE2 3.89Å; W443-Y471 AromaticContact NE1-CZ 3.83Å; W443-Y471 PolarHBondContact NE1-OH 3.48Å; Y471-G535 WeakPolarHBondContact CE1-O 3.48Å; Y471-A536 HydrophobicContact CD1-CB 4.25Å; Y471-A536 HydrophobicContact CE1-CB 4.39Å; Y471-F539 VanDerWaalsContact CB-CD1 3.42Å; Y471-F539 HydrophobicContact CD1-CB 4.07Å; Y471-F539 HydrophobicContact CD1-CD1 4.08Å; Y471-F539 AromaticContact CD1-CD2 3.46Å; Y471-F539 HydrophobicContact CD1-CD2 3.46Å; Y471-F539 VanDerWaalsContact CD1-CD2 3.46Å; Y471-F539 HydrophobicContact CD1-CE1 4.44Å; Y471-F539 AromaticContact CD1-CE2 3.91Å; Y471-F539 HydrophobicContact CD1-CE2 3.91Å; Y471-F539 AromaticContact CD1-CG 3.58Å; Y471-F539 HydrophobicContact CD1-CG 3.58Å; Y471-F539 HydrophobicContact CD1-CZ 4.38Å; Y471-F539 AromaticContact CD2-CD1 3.75Å; Y471-F539 HydrophobicContact CD2-CD1 3.75Å; Y471-F539 HydrophobicContact CD2-CD2 4.03Å; Y471-F539 AromaticContact CD2-CE1 3.4Å; Y471-F539 HydrophobicContact CD2-CE1 3.4Å; Y471-F539 VanDerWaalsContact CD2-CE1 3.4Å; Y471-F539 AromaticContact CD2-CE2 3.74Å; Y471-F539 HydrophobicContact CD2-CE2 3.74Å; Y471-F539 HydrophobicContact CD2-CG 4.06Å; Y471-F539 AromaticContact CD2-CZ 3.43Å; Y471-F539 HydrophobicContact CD2-CZ 3.43Å; Y471-F539 VanDerWaalsContact CD2-CZ 3.43Å; Y471-F539 AromaticContact CE1-CD2 3.55Å; Y471-F539 HydrophobicContact CE1-CD2 3.55Å; Y471-F539 AromaticContact CE1-CE2 3.69Å; Y471-F539 HydrophobicContact CE1-CE2 3.69Å; Y471-F539 HydrophobicContact CE1-CG 4.17Å; Y471-F539 HydrophobicContact CE1-CZ 4.38Å; Y471-F539 HydrophobicContact CE2-CD2 4.14Å; Y471-F539 AromaticContact CE2-CE1 3.96Å; Y471-F539 HydrophobicContact CE2-CE1 3.96Å; Y471-F539 AromaticContact CE2-CE2 3.54Å; Y471-F539 HydrophobicContact CE2-CE2 3.54Å; Y471-F539 AromaticContact CE2-CZ 3.46Å; Y471-F539 HydrophobicContact CE2-CZ 3.46Å; Y471-F539 VanDerWaalsContact CE2-CZ 3.46Å; Y471-F539 HydrophobicContact CG-CB 4.21Å; Y471-F539 AromaticContact CG-CD1 3.48Å; Y471-F539 HydrophobicContact CG-CD1 3.48Å; Y471-F539 VanDerWaalsContact CG-CD1 3.48Å; Y471-F539 AromaticContact CG-CD2 3.7Å; Y471-F539 HydrophobicContact CG-CD2 3.7Å; Y471-F539 AromaticContact CG-CE1 3.68Å; Y471-F539 HydrophobicContact CG-CE1 3.68Å; Y471-F539 AromaticContact CG-CE2 3.91Å; Y471-F539 HydrophobicContact CG-CE2 3.91Å; Y471-F539 AromaticContact CG-CG 3.5Å; Y471-F539 HydrophobicContact CG-CG 3.5Å; Y471-F539 VanDerWaalsContact CG-CG 3.5Å; Y471-F539 AromaticContact CG-CZ 3.92Å; Y471-F539 HydrophobicContact CG-CZ 3.92Å; Y471-F539 AromaticContact CZ-CD2 3.9Å; Y471-F539 AromaticContact CZ-CE2 3.5Å; Y471-F539 AromaticContact CZ-CZ 3.95Å; Y471-P546 PolarHBondContact N-O 2.91Å; Y471-A547 HydrophobicContact CD1-CB 4.27Å; Y471-A547 CarbonylContact O-C 3.58Å; Y471-A547 VanDerWaalsContact O-CA 3.28Å; Y471-A547 WeakPolarHBondContact O-CA 3.37Å; Y471-M548 PolarHBondContact O-N 3.35Å
472	F	98.6	Very high	93.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.4	171.9	-63.8	-88.1	0	0	0	109.5	V394 I395 L396 G397 A470 L495 M548 L550 M593 V594 L597	V394-F472 HydrophobicContact CG1-CD2 4.24Å; V394-F472 HydrophobicContact CG1-CE2 3.97Å; I395-F472 PolarHBondContact O-N 3.15Å; L396-F472 HydrophobicContact CD2-CB 3.82Å; L396-F472 HydrophobicContact CD2-CD2 4.41Å; L396-F472 HydrophobicContact CD2-CG 4.38Å; G397-F472 PolarHBondContact N-O 2.96Å; A470-F472 HydrophobicContact CB-CE2 4.24Å; F472-L495 HydrophobicContact CZ-CD2 4.21Å; F472-M548 CarbonylContact C-O 3.58Å; F472-M548 WeakPolarHBondContact CA-O 3.39Å; F472-M548 HydrophobicContact CD1-CB 4.03Å; F472-M548 HydrophobicContact CD1-CG 4.46Å; F472-M548 HydrophobicContact CD1-SD 4.27Å; F472-M548 HydrophobicContact CE1-CB 4.26Å; F472-M548 HydrophobicContact CE1-SD 3.99Å; F472-L550 HydrophobicContact CD1-CD1 4.49Å; F472-M593 HydrophobicContact CE1-CB 4.08Å; F472-M593 HydrophobicContact CE1-CE 4.04Å; F472-M593 HydrophobicContact CE1-SD 4.23Å; F472-M593 HydrophobicContact CZ-CB 3.96Å; F472-V594 HydrophobicContact CD2-CG2 3.97Å; F472-V594 HydrophobicContact CE2-CG2 3.87Å; F472-L597 HydrophobicContact CE2-CD1 3.57Å; F472-L597 HydrophobicContact CZ-CD1 3.67Å
473	S	98.2	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.9	164.3	163	0	0	0	0	109.6	D475 M548 E549	S473-D475 VanDerWaalsContact OG-CB 3.31Å; S473-D475 WeakPolarHBondContact OG-CB 3.27Å; S473-D475 PolarHBondContact OG-N 3.47Å; S473-D475 VanDerWaalsContact OG-N 3.09Å; S473-D475 PolarHBondContact OG-OD2 3.36Å; S473-M548 PolarHBondContact N-O 2.64Å; S473-E549 WeakPolarHBondContact OG-CG 3.45Å; S473-E549 PolarHBondContact OG-OE2 3.47Å
474	L	98.2	Very high	94.4	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	8%	0.081	C	C	.	.			trans	-103.1	15.3	172.1	-55.8	172.8	0	0	0	111.1	G397 A398 G413 I416 L417 L420 A477 V590	G397-L474 WeakPolarHBondContact O-CB 3.21Å; G397-L474 PolarHBondContact O-N 3.12Å; A398-L474 HydrophobicContact CB-CB 4.19Å; G413-L474 WeakPolarHBondContact CA-O 3.3Å; I416-L474 HydrophobicContact CB-CD1 4.48Å; I416-L474 HydrophobicContact CG2-CD1 4.09Å; I416-L474 HydrophobicContact CG2-CD2 4.01Å; L417-L474 HydrophobicContact CB-CD1 3.81Å; L417-L474 HydrophobicContact CD1-CD1 4.03Å; L420-L474 HydrophobicContact CD1-CD1 4.22Å; L420-L474 HydrophobicContact CD1-CD2 4.48Å; L474-A477 WeakPolarHBondContact O-CB 3.02Å; L474-V590 HydrophobicContact CD2-CG1 4.24Å; L474-V590 HydrophobicContact CD2-CG2 3.88Å
475	D	95.9	Very high	94.9	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	131.1	-173.4	-53.9	-42.6	0	0	0	110.2	A398 Q399 S473 A477 G535	A398-D475 WeakPolarHBondContact CA-OD1 3.34Å; Q399-D475 WeakPolarHBondContact CB-OD1 3.3Å; Q399-D475 PolarHBondContact N-OD1 3.17Å; S473-D475 VanDerWaalsContact OG-CB 3.31Å; S473-D475 WeakPolarHBondContact OG-CB 3.27Å; S473-D475 PolarHBondContact OG-N 3.47Å; S473-D475 VanDerWaalsContact OG-N 3.09Å; S473-D475 PolarHBondContact OG-OD2 3.36Å; D475-A477 PolarHBondContact O-N 3.01Å; D475-A477 VanDerWaalsContact O-N 3.14Å; D475-G535 WeakPolarHBondContact OD2-CA 3.45Å
476	Q	95.3	Very high	95.6	Very high	19 Å²	19	15.7 Å²	15.7	9%	0.089	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	29.9	176.8	-63.5	157.9	52.6	0	0	113.6	V408 K409 I478 M479 R551 L561	V408-Q476 HydrophobicContact CG1-CB 4.21Å; V408-Q476 HydrophobicContact CG1-CG 4.39Å; V408-Q476 WeakPolarHBondContact O-CA 3.33Å; K409-Q476 HydrophobicContact CD-CG 4.14Å; Q476-I478 VanDerWaalsContact C-N 3.27Å; Q476-I478 PolarHBondContact O-N 2.81Å; Q476-I478 VanDerWaalsContact O-N 3.12Å; Q476-M479 HydrophobicContact CB-CE 3.82Å; Q476-M479 HydrophobicContact CG-CE 4.14Å; Q476-R551 VanDerWaalsContact CB-NH1 3.33Å; Q476-R551 VanDerWaalsContact OE1-NH2 3.14Å; Q476-L561 HydrophobicContact CG-CD1 3.92Å
477	A	96.3	Very high	95.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.			trans	-59.6	-26.7	-167.1	0	0	0	0	0	115.7	V412 I416 L474 D475 L550 R551 F552 L586	V412-A477 HydrophobicContact CG1-CB 3.76Å; I416-A477 HydrophobicContact CD1-CB 4.03Å; L474-A477 WeakPolarHBondContact O-CB 3.02Å; D475-A477 PolarHBondContact O-N 3.01Å; D475-A477 VanDerWaalsContact O-N 3.14Å; A477-L550 WeakPolarHBondContact CA-O 3.44Å; A477-R551 WeakPolarHBondContact O-CA 3.28Å; A477-F552 PolarHBondContact O-N 3.48Å; A477-L586 HydrophobicContact CB-CD2 3.37Å; A477-L586 VanDerWaalsContact O-CD2 3.23Å; A477-L586 WeakPolarHBondContact O-CD2 3.39Å
478	I	97.4	Very high	96	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-130.3	108	-179.2	-53.8	170.7	0	0	0	109	V408 V412 I416 Q476 G480 L575 L579 T582 L586	V408-I478 WeakPolarHBondContact CG2-O 3.36Å; V412-I478 HydrophobicContact CG1-CB 3.85Å; V412-I478 HydrophobicContact CG1-CD1 3.76Å; V412-I478 HydrophobicContact CG1-CG1 3.63Å; V412-I478 HydrophobicContact CG2-CB 4.26Å; I416-I478 HydrophobicContact CD1-CD1 4.32Å; Q476-I478 VanDerWaalsContact C-N 3.27Å; Q476-I478 PolarHBondContact O-N 2.81Å; Q476-I478 VanDerWaalsContact O-N 3.12Å; I478-G480 WeakPolarHBondContact CG2-O 3.46Å; I478-L575 HydrophobicContact CG2-CD1 3.67Å; I478-L575 HydrophobicContact CG2-CD2 3.88Å; I478-L575 HydrophobicContact CG2-CG 4.4Å; I478-L579 HydrophobicContact CD1-CD1 3.87Å; I478-L579 HydrophobicContact CG2-CD1 4.36Å; I478-T582 HydrophobicContact CD1-CG2 4.22Å; I478-T582 HydrophobicContact CG1-CG2 4.17Å; I478-T582 HydrophobicContact CG2-CG2 3.79Å; I478-L586 HydrophobicContact CG1-CD2 4.17Å
479	M	94.9	Very high	96	Very high	20 Å²	20	8.5 Å²	8.5	10%	0.099	4%	0.044	C	C	.	.	S	Bend	trans	-116.4	-6.1	171.6	-77.4	171.8	160.9	0	0	112.2	V408 Q476 F552 T553 Y558 L561	V408-M479 HydrophobicContact CG1-CE 3.79Å; V408-M479 HydrophobicContact CG1-CG 3.62Å; Q476-M479 HydrophobicContact CB-CE 3.82Å; Q476-M479 HydrophobicContact CG-CE 4.14Å; M479-F552 WeakPolarHBondContact CA-O 3.22Å; M479-F552 WeakPolarHBondContact CB-O 3.41Å; M479-F552 PolarHBondContact N-O 2.96Å; M479-T553 HydrophobicContact CB-CG2 4.12Å; M479-Y558 HydrophobicContact CB-CG 4.36Å; M479-Y558 HydrophobicContact CG-CG 4.31Å; M479-L561 HydrophobicContact CE-CB 4.36Å; M479-L561 HydrophobicContact CE-CD1 3.71Å; M479-L561 HydrophobicContact CE-CD2 3.57Å; M479-L561 HydrophobicContact CE-CG 4.06Å
480	G	95.2	Very high	95.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.			trans	-175.9	-169.1	-176	0	0	0	0	0	109.9	I478 F552 L575	I478-G480 WeakPolarHBondContact CG2-O 3.46Å; G480-F552 PolarHBondContact N-O 3.43Å; G480-F552 VanDerWaalsContact N-O 3.15Å; G480-F552 VanDerWaalsContact O-CB 3.23Å; G480-F552 WeakPolarHBondContact O-CB 3.5Å; G480-L575 WeakPolarHBondContact O-CD2 3.49Å
481	D	94.4	Very high	95.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-140.3	3.7	176.1	59.8	29.3	0	0	0	116	H505 P506 K507 E554 L575 R578 T582	D481-H505 PolarHBondContact O-CE1 3.47Å; D481-P506 HydrophobicContact CB-CG 4.39Å; D481-K507 WeakPolarHBondContact O-CB 3.44Å; D481-K507 WeakPolarHBondContact OD1-CD 3.44Å; D481-K507 WeakPolarHBondContact OD1-CE 3.4Å; D481-K507 WeakPolarHBondContact OD1-CG 3.39Å; D481-K507 IonicContact OD1-NZ 3.65Å; D481-K507 PolarHBondContact OD1-NZ 2.87Å; D481-E554 PolarHBondContact N-OE1 2.96Å; D481-L575 HydrophobicContact CB-CD2 4.03Å; D481-R578 VanDerWaalsContact CG-NH2 3.28Å; D481-R578 IonicContact OD1-CZ 3.83Å; D481-R578 IonicContact OD1-NE 2.84Å; D481-R578 IonicContact OD1-NH2 3.14Å; D481-R578 PolarHBondContact OD1-NH2 2.65Å; D481-R578 IonicContact OD2-CZ 3.33Å; D481-R578 IonicContact OD2-NE 2.67Å; D481-R578 PolarHBondContact OD2-NE 3.32Å; D481-R578 IonicContact OD2-NH2 2.72Å; D481-R578 PolarHBondContact OD2-NH2 3.13Å; D481-T582 HydrophobicContact CB-CG2 3.9Å; D481-T582 WeakPolarHBondContact CB-OG1 3.26Å
482	D	92.4	Very high	95.5	Very high	32 Å²	32	9.5 Å²	9.5	17%	0.171	5%	0.05	C	C	.	.	S	Bend	trans	-85.5	-49.2	173.6	-118.2	-35	0	0	0	114.6	H505 K507 H508 T553 E554	D482-H505 PolarHBondContact O-CE1 3.17Å; D482-H505 PolarHBondContact O-NE2 2.89Å; D482-K507 HydrophobicContact CB-CD 4Å; D482-K507 WeakPolarHBondContact OD1-CD 3.46Å; D482-K507 WeakPolarHBondContact OD2-CD 3.29Å; D482-K507 VanDerWaalsContact OD2-CE 3.29Å; D482-K507 WeakPolarHBondContact OD2-CE 3.35Å; D482-K507 IonicContact OD2-NZ 2.83Å; D482-K507 PolarHBondContact OD2-NZ 3.39Å; D482-H508 IonicContact OD1-CD2 2.82Å; D482-H508 IonicContact OD1-CE1 3.48Å; D482-H508 IonicContact OD1-NE2 3.08Å; D482-H508 PolarHBondContact OD1-NE2 3.31Å; D482-T553 PolarHBondContact N-O 3.45Å; D482-E554 PolarHBondContact N-OE1 2.88Å
483	H	93	Very high	95.2	Very high	60 Å²	60	11 Å²	11	28%	0.278	6%	0.059	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	106.4	-164.1	-62.8	-46.4	0	0	0	111.5	D520 F552 T553 D555	H483-D520 IonicContact CE1-OD2 2.77Å; H483-F552 CarbonylContact O-C 3.32Å; H483-F552 WeakPolarHBondContact O-CA 3.18Å; H483-T553 PolarHBondContact N-O 3.25Å; H483-T553 PolarHBondContact O-N 2.79Å; H483-T553 PolarHBondContact O-OG1 3.21Å; H483-D555 IonicContact CD2-OD1 2.65Å; H483-D555 PolarHBondContact CD2-OD1 3.01Å; H483-D555 IonicContact NE2-OD1 3.88Å; H483-D555 PolarHBondContact NE2-OD1 3.4Å; H483-D555 IonicContact NE2-OD2 3.91Å; H483-D555 PolarHBondContact NE2-OD2 3.3Å
484	L	95.9	Very high	95	Very high	15 Å²	15	13.4 Å²	13.4	8%	0.079	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.9	167	-177.2	69.1	0	0	0	110.4	I500 I513 I526 L550 R551 F552 L586 L589	L484-I500 HydrophobicContact CD2-CG2 3.82Å; L484-I513 HydrophobicContact CB-CG2 4.17Å; L484-I513 HydrophobicContact CD2-CG2 3.75Å; L484-I526 HydrophobicContact CD2-CG2 4.04Å; L484-I526 HydrophobicContact CG-CG2 4.03Å; L484-L550 HydrophobicContact CD1-CD2 4.34Å; L484-R551 CarbonylContact C-O 3.44Å; L484-F552 HydrophobicContact CB-CD1 4.09Å; L484-F552 HydrophobicContact CB-CE1 3.86Å; L484-F552 HydrophobicContact CB-CZ 4.35Å; L484-F552 HydrophobicContact CD1-CD1 4.47Å; L484-F552 HydrophobicContact CD1-CD2 4.19Å; L484-F552 HydrophobicContact CD1-CE1 4.42Å; L484-F552 HydrophobicContact CD1-CE2 4.14Å; L484-F552 HydrophobicContact CD1-CG 4.36Å; L484-F552 HydrophobicContact CD1-CZ 4.25Å; L484-L586 HydrophobicContact CD1-CD1 4.3Å; L484-L589 HydrophobicContact CD1-CD2 4.18Å; L484-L589 HydrophobicContact CD2-CD2 3.52Å
485	S	95.4	Very high	94.9	Very high	9 Å²	9	13.3 Å²	13.3	6%	0.063	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.6	158.8	60	0	0	0	0	112.7	I526 K528 R551	S485-I526 CarbonylContact C-O 3.47Å; S485-I526 VanDerWaalsContact CA-O 3.3Å; S485-I526 WeakPolarHBondContact CA-O 3.42Å; S485-I526 WeakPolarHBondContact CB-O 3.45Å; S485-K528 VanDerWaalsContact CB-CE 3.41Å; S485-K528 PolarHBondContact OG-NZ 3.13Å; S485-R551 PolarHBondContact N-O 2.96Å; S485-R551 PolarHBondContact O-N 3.16Å
486	A	96.1	Very high	94.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	114.5	-175.8	0	0	0	0	0	109.8	L496 I526 K528 E549 L550	A486-L496 HydrophobicContact CB-CD2 3.4Å; A486-L496 VanDerWaalsContact CB-CD2 3.4Å; A486-I526 HydrophobicContact CB-CG2 4.05Å; A486-I526 PolarHBondContact N-O 3.28Å; A486-K528 PolarHBondContact O-N 3.12Å; A486-E549 CarbonylContact C-O 3.56Å; A486-E549 VanDerWaalsContact CA-O 3.31Å; A486-E549 WeakPolarHBondContact CA-O 3.29Å; A486-L550 HydrophobicContact CB-CD2 3.72Å
487	S	96.5	Very high	94.9	Very high	5 Å²	5	13.8 Å²	13.8	4%	0.035	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	115	172.5	-52.6	0	0	0	0	107.7	K528 L530 M548 E549	S487-K528 WeakPolarHBondContact CA-O 3.32Å; S487-L530 VanDerWaalsContact O-CD2 3.26Å; S487-L530 WeakPolarHBondContact O-CD2 3.38Å; S487-M548 CarbonylContact O-C 3.59Å; S487-M548 WeakPolarHBondContact O-CA 3.28Å; S487-E549 PolarHBondContact N-O 2.99Å; S487-E549 PolarHBondContact O-N 2.75Å
488	T	95.4	Very high	94.8	Very high	8 Å²	8	15.1 Å²	15.1	5%	0.049	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163.9	-166	-164.4	0	0	0	0	116.1	K528 A547 M548	T488-K528 PolarHBondContact N-O 2.67Å; T488-A547 VanDerWaalsContact CA-O 3.26Å; T488-A547 WeakPolarHBondContact CA-O 3.49Å; T488-A547 PolarHBondContact OG1-O 3.46Å; T488-M548 HydrophobicContact CG2-CE 4.13Å; T488-M548 WeakPolarHBondContact OG1-CB 3.35Å; T488-M548 WeakPolarHBondContact OG1-CE 3.15Å
489	S	94.3	Very high	94.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.			trans	-66.4	140.6	164.2	162.5	0	0	0	0	111.8	L491 L492 A547 E678	S489-L491 PolarHBondContact O-N 3.34Å; S489-L491 PolarHBondContact OG-N 2.92Å; S489-L491 VanDerWaalsContact OG-N 3.12Å; S489-L492 PolarHBondContact O-N 2.89Å; S489-L492 VanDerWaalsContact O-N 3.09Å; S489-A547 PolarHBondContact N-O 2.95Å; S489-E678 VanDerWaalsContact CB-OE2 3.26Å; S489-E678 WeakPolarHBondContact CB-OE2 3.42Å; S489-E678 PolarHBondContact OG-OE1 2.72Å; S489-E678 PolarHBondContact OG-OE2 2.78Å
490	P	92.4	Very high	94.9	Very high	22 Å²	22	14 Å²	14	14%	0.143	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-16.8	171.6	-26.6	34.1	0	0	0	115.6	S609 Y610 H698	P490-S609 WeakPolarHBondContact O-CB 3.46Å; P490-S609 PolarHBondContact O-OG 3.33Å; P490-Y610 HydrophobicContact CB-CE1 4.37Å; P490-Y610 HydrophobicContact CG-CD1 4.29Å; P490-Y610 HydrophobicContact CG-CE1 3.78Å; P490-H698 WeakPolarHBondContact CD-NE2 3.49Å
491	L	94.6	Very high	94.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.1	176.7	-61.8	-170	0	0	0	113	S489 P546 L605 R606 Y610 V677 E678	S489-L491 PolarHBondContact O-N 3.34Å; S489-L491 PolarHBondContact OG-N 2.92Å; S489-L491 VanDerWaalsContact OG-N 3.12Å; L491-P546 HydrophobicContact CD1-CG 4.16Å; L491-L605 HydrophobicContact CB-CB 4.33Å; L491-L605 CarbonylContact O-C 3.57Å; L491-L605 WeakPolarHBondContact O-CA 3.16Å; L491-R606 VanDerWaalsContact CD2-O 3.28Å; L491-R606 WeakPolarHBondContact CD2-O 3.49Å; L491-R606 PolarHBondContact O-N 3.07Å; L491-Y610 HydrophobicContact CD1-CE2 4.44Å; L491-Y610 HydrophobicContact CD2-CD2 3.91Å; L491-Y610 HydrophobicContact CD2-CE2 4.09Å; L491-Y610 HydrophobicContact CG-CD2 4.33Å; L491-Y610 HydrophobicContact CG-CE2 3.98Å; L491-V677 HydrophobicContact CD1-CB 4.18Å; L491-V677 HydrophobicContact CD1-CG1 4.05Å; L491-V677 HydrophobicContact CD2-CG1 4.13Å; L491-E678 HydrophobicContact CD1-CB 4.12Å; L491-E678 WeakPolarHBondContact CD1-OE2 3.37Å
492	L	95.9	Very high	94.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-92.1	0.9	-174.6	-68.2	161.1	0	0	0	113.8	A470 S489 D494 L495 L496 P546 A547 M548 L605	A470-L492 HydrophobicContact CB-CD2 4.14Å; S489-L492 PolarHBondContact O-N 2.89Å; S489-L492 VanDerWaalsContact O-N 3.09Å; L492-D494 VanDerWaalsContact C-N 3.34Å; L492-D494 PolarHBondContact O-N 3.02Å; L492-L495 HydrophobicContact CD2-CD2 3.78Å; L492-L495 WeakPolarHBondContact O-CB 3.48Å; L492-L495 PolarHBondContact O-N 3.15Å; L492-L496 PolarHBondContact O-N 2.75Å; L492-L496 VanDerWaalsContact O-N 3.08Å; L492-P546 HydrophobicContact CD1-CB 3.96Å; L492-P546 HydrophobicContact CG-CB 4.18Å; L492-A547 WeakPolarHBondContact CD1-O 3.35Å; L492-M548 HydrophobicContact CB-CE 3.64Å; L492-M548 HydrophobicContact CD1-CB 4.13Å; L492-L605 HydrophobicContact CD2-CD2 3.39Å; L492-L605 HydrophobicContact CG-CD2 4.02Å
493	V	92.1	Very high	95.1	Very high	31 Å²	31	20.9 Å²	20.9	19%	0.188	11%	0.107	C	C	.	.	H	α-helix	trans	-54.4	-44.3	-177.9	161.4	0	0	0	0	113	L496 D497 M527	V493-L496 PolarHBondContact O-N 3.19Å; V493-D497 PolarHBondContact O-N 3.41Å; V493-M527 HydrophobicContact CB-CE 4.5Å; V493-M527 HydrophobicContact CB-SD 4.38Å; V493-M527 HydrophobicContact CG1-CE 3.87Å; V493-M527 HydrophobicContact CG1-SD 3.8Å; V493-M527 HydrophobicContact CG2-SD 4.04Å
494	D	92.6	Very high	95.2	Very high	50 Å²	50	22.9 Å²	22.9	27%	0.267	12%	0.117	S	C	.	.	H	α-helix	trans	-75	-36.5	-176.1	-70.7	32.1	0	0	0	112	L492 L496 D497 A498 R606	L492-D494 VanDerWaalsContact C-N 3.34Å; L492-D494 PolarHBondContact O-N 3.02Å; D494-L496 VanDerWaalsContact C-N 3.28Å; D494-L496 PolarHBondContact O-N 3.13Å; D494-D497 PolarHBondContact O-N 3.34Å; D494-A498 WeakPolarHBondContact O-CB 3.36Å; D494-A498 PolarHBondContact O-N 3.06Å; D494-R606 WeakPolarHBondContact OD1-CD 3.48Å; D494-R606 IonicContact OD1-CZ 3.54Å; D494-R606 IonicContact OD1-NE 3.8Å; D494-R606 PolarHBondContact OD1-NE 2.95Å; D494-R606 IonicContact OD1-NH1 3.26Å; D494-R606 PolarHBondContact OD1-NH1 3.49Å; D494-R606 IonicContact OD1-NH2 2.68Å; D494-R606 PolarHBondContact OD1-NH2 3.49Å; D494-R606 IonicContact OD2-CZ 2.67Å; D494-R606 IonicContact OD2-NE 3.24Å; D494-R606 PolarHBondContact OD2-NE 2.99Å; D494-R606 IonicContact OD2-NH2 3.62Å; D494-R606 PolarHBondContact OD2-NH2 2.93Å
495	L	96.2	Very high	95.2	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-41.4	175	-177.4	59.3	0	0	0	110.6	F472 L492 A499 M593 R596 L597 P604	F472-L495 HydrophobicContact CZ-CD2 4.21Å; L492-L495 HydrophobicContact CD2-CD2 3.78Å; L492-L495 WeakPolarHBondContact O-CB 3.48Å; L492-L495 PolarHBondContact O-N 3.15Å; L495-A499 WeakPolarHBondContact O-CB 3.37Å; L495-A499 PolarHBondContact O-N 3.34Å; L495-M593 HydrophobicContact CD1-CB 4.1Å; L495-M593 HydrophobicContact CD1-CG 4.22Å; L495-M593 HydrophobicContact CD2-CB 3.97Å; L495-M593 HydrophobicContact CD2-CG 4.44Å; L495-M593 HydrophobicContact CG-CB 3.78Å; L495-M593 HydrophobicContact CG-CG 3.78Å; L495-M593 HydrophobicContact CG-SD 4.17Å; L495-R596 HydrophobicContact CD1-CB 3.83Å; L495-R596 HydrophobicContact CD1-CG 4.35Å; L495-L597 HydrophobicContact CD2-CD1 3.51Å; L495-L597 HydrophobicContact CD2-CD2 3.99Å; L495-L597 HydrophobicContact CD2-CG 3.62Å; L495-P604 HydrophobicContact CD1-CG 3.94Å
496	L	96.4	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.4	-54.2	173.7	-177.7	63.2	0	0	0	112.3	A486 L492 V493 D494 A498 A499 I500 I526 M527 M548 L550 M593	A486-L496 HydrophobicContact CB-CD2 3.4Å; A486-L496 VanDerWaalsContact CB-CD2 3.4Å; L492-L496 PolarHBondContact O-N 2.75Å; L492-L496 VanDerWaalsContact O-N 3.08Å; V493-L496 PolarHBondContact O-N 3.19Å; D494-L496 VanDerWaalsContact C-N 3.28Å; D494-L496 PolarHBondContact O-N 3.13Å; L496-A498 VanDerWaalsContact C-N 3.26Å; L496-A498 PolarHBondContact O-N 3.17Å; L496-A499 PolarHBondContact O-N 2.9Å; L496-I500 HydrophobicContact CD1-CG2 3.88Å; L496-I500 HydrophobicContact CG-CG2 4.33Å; L496-I500 WeakPolarHBondContact O-CG1 3.26Å; L496-I500 PolarHBondContact O-N 2.96Å; L496-I526 HydrophobicContact CD2-CG2 4.14Å; L496-M527 HydrophobicContact CD2-CE 4.14Å; L496-M527 HydrophobicContact CD2-CG 4.13Å; L496-M548 HydrophobicContact CB-CE 3.92Å; L496-M548 HydrophobicContact CD1-SD 4.35Å; L496-M548 HydrophobicContact CD2-CE 4.32Å; L496-L550 HydrophobicContact CD1-CD2 3.87Å; L496-M593 HydrophobicContact CB-SD 4.11Å; L496-M593 HydrophobicContact CD1-CE 4.05Å; L496-M593 HydrophobicContact CD1-SD 3.92Å
497	D	94.9	Very high	95	Very high	34 Å²	34	25.2 Å²	25.2	18%	0.182	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-37.5	-177.4	-169.9	79.6	0	0	0	111.6	V493 D494 A499 I500 R501 S523 M527	V493-D497 PolarHBondContact O-N 3.41Å; D494-D497 PolarHBondContact O-N 3.34Å; D497-A499 VanDerWaalsContact C-N 3.32Å; D497-A499 PolarHBondContact O-N 3.15Å; D497-I500 WeakPolarHBondContact O-CG1 3.33Å; D497-R501 WeakPolarHBondContact O-CD 3.33Å; D497-R501 WeakPolarHBondContact O-CG 3.35Å; D497-R501 PolarHBondContact O-N 3.36Å; D497-R501 IonicContact OD1-NE 3.17Å; D497-R501 IonicContact OD1-NH2 3.96Å; D497-R501 PolarHBondContact OD1-NH2 3.09Å; D497-R501 IonicContact OD2-CZ 3.57Å; D497-R501 IonicContact OD2-NE 2.71Å; D497-R501 PolarHBondContact OD2-NE 3.01Å; D497-R501 IonicContact OD2-NH2 2.73Å; D497-R501 PolarHBondContact OD2-NH2 2.9Å; D497-S523 PolarHBondContact OD1-OG 2.97Å; D497-M527 HydrophobicContact CB-CE 4.26Å
498	A	94.8	Very high	94.8	Very high	27 Å²	27	27.2 Å²	27.2	22%	0.223	14%	0.135	C	C	.	.	H	α-helix	trans	-70.8	-21.4	174.8	0	0	0	0	0	114.4	D494 L496 Q502 R596	D494-A498 WeakPolarHBondContact O-CB 3.36Å; D494-A498 PolarHBondContact O-N 3.06Å; L496-A498 VanDerWaalsContact C-N 3.26Å; L496-A498 PolarHBondContact O-N 3.17Å; A498-Q502 VanDerWaalsContact O-CG 3.22Å; A498-Q502 WeakPolarHBondContact O-CG 3.36Å; A498-R596 PolarHBondContact O-NH2 3.48Å
499	A	96.7	Very high	94.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-90.8	-43.5	177.6	0	0	0	0	0	112.5	L495 L496 D497 R501 Q502 V503 L589 E592 M593	L495-A499 WeakPolarHBondContact O-CB 3.37Å; L495-A499 PolarHBondContact O-N 3.34Å; L496-A499 PolarHBondContact O-N 2.9Å; D497-A499 VanDerWaalsContact C-N 3.32Å; D497-A499 PolarHBondContact O-N 3.15Å; A499-R501 PolarHBondContact O-N 2.9Å; A499-R501 VanDerWaalsContact O-N 3.16Å; A499-Q502 WeakPolarHBondContact O-CB 3.49Å; A499-Q502 PolarHBondContact O-N 3.12Å; A499-V503 PolarHBondContact O-N 2.75Å; A499-L589 HydrophobicContact CB-CD1 3.7Å; A499-E592 HydrophobicContact CB-CB 4.09Å; A499-M593 HydrophobicContact CB-CG 3.56Å; A499-M593 HydrophobicContact CB-SD 4.38Å
500	I	96.9	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-22.1	176.6	61.3	173.1	0	0	0	113	L484 L496 D497 Q502 I513 Y514 I526 L589	L484-I500 HydrophobicContact CD2-CG2 3.82Å; L496-I500 HydrophobicContact CD1-CG2 3.88Å; L496-I500 HydrophobicContact CG-CG2 4.33Å; L496-I500 WeakPolarHBondContact O-CG1 3.26Å; L496-I500 PolarHBondContact O-N 2.96Å; D497-I500 WeakPolarHBondContact O-CG1 3.33Å; I500-Q502 PolarHBondContact O-N 3.02Å; I500-I513 HydrophobicContact CB-CB 3.98Å; I500-I513 HydrophobicContact CB-CG2 3.98Å; I500-I513 HydrophobicContact CG2-CB 4.29Å; I500-I513 HydrophobicContact CG2-CG2 3.9Å; I500-I513 PolarHBondContact O-N 3.27Å; I500-Y514 HydrophobicContact CD1-CD2 4.08Å; I500-Y514 HydrophobicContact CG1-CD2 4.36Å; I500-Y514 WeakPolarHBondContact O-CB 3.4Å; I500-Y514 PolarHBondContact O-N 2.71Å; I500-I526 HydrophobicContact CD1-CD1 3.49Å; I500-I526 VanDerWaalsContact CD1-CD1 3.49Å; I500-L589 HydrophobicContact CG2-CD1 3.76Å; I500-L589 HydrophobicContact CG2-CD2 4.28Å
501	R	96.1	Very high	94.3	Very high	95 Å²	95	35.8 Å²	35.8	36%	0.358	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.4	171.7	-75.7	172.7	-166.6	-74.2	-8.8	114.4	D497 A499 Y514	D497-R501 WeakPolarHBondContact O-CD 3.33Å; D497-R501 WeakPolarHBondContact O-CG 3.35Å; D497-R501 PolarHBondContact O-N 3.36Å; D497-R501 IonicContact OD1-NE 3.17Å; D497-R501 IonicContact OD1-NH2 3.96Å; D497-R501 PolarHBondContact OD1-NH2 3.09Å; D497-R501 IonicContact OD2-CZ 3.57Å; D497-R501 IonicContact OD2-NE 2.71Å; D497-R501 PolarHBondContact OD2-NE 3.01Å; D497-R501 IonicContact OD2-NH2 2.73Å; D497-R501 PolarHBondContact OD2-NH2 2.9Å; A499-R501 PolarHBondContact O-N 2.9Å; A499-R501 VanDerWaalsContact O-N 3.16Å; R501-Y514 HydrophobicContact CG-CD1 4.04Å; R501-Y514 HydrophobicContact CG-CD2 3.91Å; R501-Y514 HydrophobicContact CG-CG 3.63Å; R501-Y514 PolarHBondContact NH1-OH 2.8Å; R501-Y514 VanDerWaalsContact NH2-CZ 3.29Å; R501-Y514 PolarHBondContact NH2-OH 3Å
502	Q	94.9	Very high	94.4	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.374	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-36.7	-165.9	-59.4	-78.1	-68.7	0	0	112.5	R105 R109 A498 A499 I500	R105-Q502 VanDerWaalsContact CZ-OE1 3.31Å; R109-Q502 PolarHBondContact NH2-O 2.83Å; A498-Q502 VanDerWaalsContact O-CG 3.22Å; A498-Q502 WeakPolarHBondContact O-CG 3.36Å; A499-Q502 WeakPolarHBondContact O-CB 3.49Å; A499-Q502 PolarHBondContact O-N 3.12Å; I500-Q502 PolarHBondContact O-N 3.02Å
503	V	95.8	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-81.5	138.7	177	-176.5	0	0	0	0	110.9	A499 T512 I513 E588 L589 E592	A499-V503 PolarHBondContact O-N 2.75Å; V503-T512 VanDerWaalsContact O-CA 3.3Å; V503-T512 WeakPolarHBondContact O-CA 3.43Å; V503-I513 HydrophobicContact CB-CD1 4.05Å; V503-I513 HydrophobicContact CG1-CD1 3.99Å; V503-I513 PolarHBondContact O-N 3.11Å; V503-I513 VanDerWaalsContact O-N 3.1Å; V503-E588 HydrophobicContact CG1-CB 4.14Å; V503-E588 HydrophobicContact CG1-CG 4.36Å; V503-E588 HydrophobicContact CG2-CB 4.45Å; V503-E588 HydrophobicContact CG2-CG 4.1Å; V503-L589 HydrophobicContact CG1-CB 4.49Å; V503-L589 HydrophobicContact CG2-CB 4.28Å; V503-L589 HydrophobicContact CG2-CD1 4.24Å; V503-E592 HydrophobicContact CG2-CG 3.77Å
504	E	95.1	Very high	94.5	Very high	102 Å²	102	38.4 Å²	38.4	48%	0.477	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	147.2	175.6	-72	-161.4	-156.7	0	0	112.7	G510 Q511 S585	E504-G510 WeakPolarHBondContact OE2-CA 3.37Å; E504-G510 PolarHBondContact OE2-N 2.86Å; E504-Q511 CarbonylContact C-O 3.6Å; E504-Q511 WeakPolarHBondContact CA-O 3.28Å; E504-S585 PolarHBondContact O-OG 2.87Å
505	H	96.2	Very high	94.6	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126	-178.7	-164.8	-90.2	0	0	0	111.2	D481 D482 K507 H508 Q511 I513 F552	D481-H505 PolarHBondContact O-CE1 3.47Å; D482-H505 PolarHBondContact O-CE1 3.17Å; D482-H505 PolarHBondContact O-NE2 2.89Å; H505-K507 PolarHBondContact O-N 3.34Å; H505-K507 VanDerWaalsContact O-N 3.1Å; H505-H508 HydrophobicContact CB-CB 4.13Å; H505-H508 AromaticContact CE1-CD2 3.54Å; H505-H508 AromaticContact ND1-CD2 3.16Å; H505-H508 PolarHBondContact ND1-CD2 2.88Å; H505-H508 AromaticContact ND1-CG 3.74Å; H505-H508 CarbonylContact O-C 3.37Å; H505-H508 PolarHBondContact O-N 2.96Å; H505-H508 VanDerWaalsContact O-N 3.1Å; H505-Q511 PolarHBondContact N-O 2.93Å; H505-I513 HydrophobicContact CB-CG1 4.41Å; H505-F552 AromaticContact NE2-CE1 3.73Å
506	P	93.8	Very high	94.4	Very high	14 Å²	14	38.7 Å²	38.7	9%	0.091	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.5	-167.6	25.7	-33.7	0	0	0	114.2	D481 F552 V581 T582	D481-P506 HydrophobicContact CB-CG 4.39Å; P506-F552 HydrophobicContact CG-CD1 4.27Å; P506-F552 HydrophobicContact CG-CE1 3.8Å; P506-F552 HydrophobicContact CG-CE2 4.2Å; P506-F552 HydrophobicContact CG-CZ 3.76Å; P506-V581 HydrophobicContact CB-CG1 4.36Å; P506-T582 HydrophobicContact CB-CG2 4.3Å; P506-T582 HydrophobicContact CG-CG2 4.08Å
507	K	92.8	Very high	94.2	Very high	53 Å²	53	39.3 Å²	39.3	23%	0.23	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-24.2	176.6	-158.9	-177.5	-147.9	151.5	0	114	D481 D482 H505 E554	D481-K507 WeakPolarHBondContact O-CB 3.44Å; D481-K507 WeakPolarHBondContact OD1-CD 3.44Å; D481-K507 WeakPolarHBondContact OD1-CE 3.4Å; D481-K507 WeakPolarHBondContact OD1-CG 3.39Å; D481-K507 IonicContact OD1-NZ 3.65Å; D481-K507 PolarHBondContact OD1-NZ 2.87Å; D482-K507 HydrophobicContact CB-CD 4Å; D482-K507 WeakPolarHBondContact OD1-CD 3.46Å; D482-K507 WeakPolarHBondContact OD2-CD 3.29Å; D482-K507 VanDerWaalsContact OD2-CE 3.29Å; D482-K507 WeakPolarHBondContact OD2-CE 3.35Å; D482-K507 IonicContact OD2-NZ 2.83Å; D482-K507 PolarHBondContact OD2-NZ 3.39Å; H505-K507 PolarHBondContact O-N 3.34Å; H505-K507 VanDerWaalsContact O-N 3.1Å; K507-E554 IonicContact NZ-OE1 2.97Å; K507-E554 PolarHBondContact NZ-OE1 2.66Å; K507-E554 IonicContact NZ-OE2 2.98Å; K507-E554 PolarHBondContact NZ-OE2 3Å
508	H	92.1	Very high	94	Very high	48 Å²	48	41.6 Å²	41.6	22%	0.222	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	73.2	-167.5	-59.1	-52	0	0	0	110.2	D482 H505 Q511	D482-H508 IonicContact OD1-CD2 2.82Å; D482-H508 IonicContact OD1-CE1 3.48Å; D482-H508 IonicContact OD1-NE2 3.08Å; D482-H508 PolarHBondContact OD1-NE2 3.31Å; H505-H508 HydrophobicContact CB-CB 4.13Å; H505-H508 AromaticContact CE1-CD2 3.54Å; H505-H508 AromaticContact ND1-CD2 3.16Å; H505-H508 PolarHBondContact ND1-CD2 2.88Å; H505-H508 AromaticContact ND1-CG 3.74Å; H505-H508 CarbonylContact O-C 3.37Å; H505-H508 PolarHBondContact O-N 2.96Å; H505-H508 VanDerWaalsContact O-N 3.1Å; H508-Q511 HydrophobicContact CB-CB 4.47Å; H508-Q511 VanDerWaalsContact O-CB 3.26Å; H508-Q511 WeakPolarHBondContact O-CB 3.49Å; H508-Q511 WeakPolarHBondContact O-CG 3.18Å; H508-Q511 PolarHBondContact O-N 3.31Å
509	A	87.3	Confident	93.7	Very high	89 Å²	89	47.3 Å²	47.3	74%	0.736	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.5	142.7	-173.1	0	0	0	0	0	113.9	Q511	A509-Q511 PolarHBondContact O-N 3.28Å
510	G	90.4	Very high	93.2	Very high	63 Å²	63	49.5 Å²	49.5	65%	0.649	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	73.1	14.8	-176.4	0	0	0	0	0	114.1	E504	E504-G510 WeakPolarHBondContact OE2-CA 3.37Å; E504-G510 PolarHBondContact OE2-N 2.86Å
511	Q	94.6	Very high	92.6	Very high	58 Å²	58	51.7 Å²	51.7	27%	0.271	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.8	179.7	-45.9	-176.6	40.5	0	0	109.4	E504 H505 H508 A509	E504-Q511 CarbonylContact C-O 3.6Å; E504-Q511 WeakPolarHBondContact CA-O 3.28Å; H505-Q511 PolarHBondContact N-O 2.93Å; H508-Q511 HydrophobicContact CB-CB 4.47Å; H508-Q511 VanDerWaalsContact O-CB 3.26Å; H508-Q511 WeakPolarHBondContact O-CB 3.49Å; H508-Q511 WeakPolarHBondContact O-CG 3.18Å; H508-Q511 PolarHBondContact O-N 3.31Å; A509-Q511 PolarHBondContact O-N 3.28Å
512	T	96	Very high	92.2	Very high	38 Å²	38	47.6 Å²	47.6	23%	0.233	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.9	176.3	61.6	0	0	0	0	111.1	V503 Y514 S515 Q516	V503-T512 VanDerWaalsContact O-CA 3.3Å; V503-T512 WeakPolarHBondContact O-CA 3.43Å; T512-Y514 PolarHBondContact O-N 2.91Å; T512-S515 PolarHBondContact N-OG 2.91Å; T512-S515 PolarHBondContact O-N 2.89Å; T512-S515 PolarHBondContact O-OG 2.82Å; T512-S515 WeakPolarHBondContact OG1-CB 3.49Å; T512-S515 PolarHBondContact OG1-N 2.87Å; T512-S515 PolarHBondContact OG1-OG 2.94Å; T512-Q516 PolarHBondContact O-N 3.22Å
513	I	96.2	Very high	91.8	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-53.5	-40.6	176.1	-60.1	170.6	0	0	0	110.8	L484 I500 V503 H505 Q516 A517 F552 L589	L484-I513 HydrophobicContact CB-CG2 4.17Å; L484-I513 HydrophobicContact CD2-CG2 3.75Å; I500-I513 HydrophobicContact CB-CB 3.98Å; I500-I513 HydrophobicContact CB-CG2 3.98Å; I500-I513 HydrophobicContact CG2-CB 4.29Å; I500-I513 HydrophobicContact CG2-CG2 3.9Å; I500-I513 PolarHBondContact O-N 3.27Å; V503-I513 HydrophobicContact CB-CD1 4.05Å; V503-I513 HydrophobicContact CG1-CD1 3.99Å; V503-I513 PolarHBondContact O-N 3.11Å; V503-I513 VanDerWaalsContact O-N 3.1Å; H505-I513 HydrophobicContact CB-CG1 4.41Å; I513-Q516 PolarHBondContact O-N 2.89Å; I513-A517 PolarHBondContact O-N 2.84Å; I513-A517 VanDerWaalsContact O-N 3.09Å; I513-F552 HydrophobicContact CD1-CZ 3.94Å; I513-F552 HydrophobicContact CG1-CZ 4.42Å; I513-L589 HydrophobicContact CD1-CD1 4.42Å; I513-L589 HydrophobicContact CD1-CD2 4.07Å
514	Y	95.4	Very high	91.1	Very high	45 Å²	45	53 Å²	53	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-57.3	-50.2	172.1	-179.5	-99.6	0	0	0	112.6	I500 R501 T512 Q516 A517 E518	I500-Y514 HydrophobicContact CD1-CD2 4.08Å; I500-Y514 HydrophobicContact CG1-CD2 4.36Å; I500-Y514 WeakPolarHBondContact O-CB 3.4Å; I500-Y514 PolarHBondContact O-N 2.71Å; R501-Y514 HydrophobicContact CG-CD1 4.04Å; R501-Y514 HydrophobicContact CG-CD2 3.91Å; R501-Y514 HydrophobicContact CG-CG 3.63Å; R501-Y514 PolarHBondContact NH1-OH 2.8Å; R501-Y514 VanDerWaalsContact NH2-CZ 3.29Å; R501-Y514 PolarHBondContact NH2-OH 3Å; T512-Y514 PolarHBondContact O-N 2.91Å; Y514-Q516 PolarHBondContact O-N 3.17Å; Y514-A517 PolarHBondContact O-N 3.02Å; Y514-A517 VanDerWaalsContact O-N 3.14Å; Y514-E518 HydrophobicContact CD1-CG 3.91Å; Y514-E518 HydrophobicContact CD2-CG 4.29Å; Y514-E518 HydrophobicContact CE1-CG 3.4Å; Y514-E518 HydrophobicContact CE2-CG 3.81Å; Y514-E518 HydrophobicContact CG-CG 4.32Å; Y514-E518 WeakPolarHBondContact O-CG 3.33Å; Y514-E518 PolarHBondContact O-N 2.9Å; Y514-E518 PolarHBondContact OH-OE2 2.86Å
515	S	94	Very high	90.7	Very high	35 Å²	35	55.5 Å²	55.5	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-26.1	-175.7	70.3	0	0	0	0	113.8	T512	T512-S515 PolarHBondContact N-OG 2.91Å; T512-S515 PolarHBondContact O-N 2.89Å; T512-S515 PolarHBondContact O-OG 2.82Å; T512-S515 WeakPolarHBondContact OG1-CB 3.49Å; T512-S515 PolarHBondContact OG1-N 2.87Å; T512-S515 PolarHBondContact OG1-OG 2.94Å
516	Q	92.4	Very high	90.5	Very high	22 Å²	22	55.5 Å²	55.5	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-74.9	-52	169.8	-179.5	56.4	26	0	0	111.1	T512 I513 Y514 E518 R519 D520	T512-Q516 PolarHBondContact O-N 3.22Å; I513-Q516 PolarHBondContact O-N 2.89Å; Y514-Q516 PolarHBondContact O-N 3.17Å; Q516-E518 PolarHBondContact O-N 2.56Å; Q516-E518 VanDerWaalsContact O-N 3.15Å; Q516-R519 WeakPolarHBondContact O-CB 3.35Å; Q516-R519 PolarHBondContact O-N 3.25Å; Q516-D520 WeakPolarHBondContact CG-OD2 3.2Å; Q516-D520 VanDerWaalsContact NE2-CG 3.3Å; Q516-D520 PolarHBondContact NE2-OD1 3.29Å; Q516-D520 PolarHBondContact NE2-OD2 3.49Å; Q516-D520 PolarHBondContact O-N 2.71Å; Q516-D520 VanDerWaalsContact O-N 3.07Å
517	A	91.1	Very high	90.4	Very high	13 Å²	13	57.2 Å²	57.2	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-31.7	-178.6	0	0	0	0	0	113.8	I513 Y514 D520 G521 G522 I526	I513-A517 PolarHBondContact O-N 2.84Å; I513-A517 VanDerWaalsContact O-N 3.09Å; Y514-A517 PolarHBondContact O-N 3.02Å; Y514-A517 VanDerWaalsContact O-N 3.14Å; A517-D520 CarbonylContact O-C 3.57Å; A517-D520 PolarHBondContact O-N 3Å; A517-G521 PolarHBondContact O-N 2.9Å; A517-G522 CarbonylContact O-C 3.53Å; A517-G522 WeakPolarHBondContact O-CA 3.27Å; A517-G522 PolarHBondContact O-N 3.25Å; A517-I526 HydrophobicContact CB-CD1 3.74Å; A517-I526 HydrophobicContact CB-CG1 4.13Å
518	E	92.5	Very high	90.4	Very high	82 Å²	82	59.2 Å²	59.2	38%	0.383	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-37.7	172.8	-66.9	-68.1	85.6	0	0	112.9	Y514 Q516 D520 G521 G522 S523	Y514-E518 HydrophobicContact CD1-CG 3.91Å; Y514-E518 HydrophobicContact CD2-CG 4.29Å; Y514-E518 HydrophobicContact CE1-CG 3.4Å; Y514-E518 HydrophobicContact CE2-CG 3.81Å; Y514-E518 HydrophobicContact CG-CG 4.32Å; Y514-E518 WeakPolarHBondContact O-CG 3.33Å; Y514-E518 PolarHBondContact O-N 2.9Å; Y514-E518 PolarHBondContact OH-OE2 2.86Å; Q516-E518 PolarHBondContact O-N 2.56Å; Q516-E518 VanDerWaalsContact O-N 3.15Å; E518-D520 VanDerWaalsContact C-N 3.31Å; E518-G521 PolarHBondContact O-N 3.46Å; E518-G522 VanDerWaalsContact OE1-CA 3.25Å; E518-G522 WeakPolarHBondContact OE1-CA 3.04Å; E518-S523 PolarHBondContact OE1-N 3.46Å
519	R	88.4	Confident	90.3	Very high	148 Å²	148	61.4 Å²	61.4	56%	0.558	33%	0.331	S	S	*	.	H	α-helix	trans	-68.7	-34.8	173.1	-60.8	-167.4	-154.3	96.5	-0.1	111.5	Q516 G521	Q516-R519 WeakPolarHBondContact O-CB 3.35Å; Q516-R519 PolarHBondContact O-N 3.25Å; R519-G521 PolarHBondContact O-N 2.96Å; R519-G521 VanDerWaalsContact O-N 3.16Å
520	D	85.1	Confident	90.5	Very high	46 Å²	46	57.7 Å²	57.7	25%	0.246	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	15.4	176.8	-58.4	-32.9	0	0	0	112.9	H483 Q516 A517 E518 R525	H483-D520 IonicContact CE1-OD2 2.77Å; Q516-D520 WeakPolarHBondContact CG-OD2 3.2Å; Q516-D520 VanDerWaalsContact NE2-CG 3.3Å; Q516-D520 PolarHBondContact NE2-OD1 3.29Å; Q516-D520 PolarHBondContact NE2-OD2 3.49Å; Q516-D520 PolarHBondContact O-N 2.71Å; Q516-D520 VanDerWaalsContact O-N 3.07Å; A517-D520 CarbonylContact O-C 3.57Å; A517-D520 PolarHBondContact O-N 3Å; E518-D520 VanDerWaalsContact C-N 3.31Å; D520-R525 WeakPolarHBondContact O-CD 3.31Å; D520-R525 PolarHBondContact O-NH1 2.73Å
521	G	84.3	Confident	90.5	Very high	45 Å²	45	59 Å²	59	46%	0.464	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	13	170.6	0	0	0	0	0	115.8	A517 E518 R519 W524	A517-G521 PolarHBondContact O-N 2.9Å; E518-G521 PolarHBondContact O-N 3.46Å; R519-G521 PolarHBondContact O-N 2.96Å; R519-G521 VanDerWaalsContact O-N 3.16Å; G521-W524 PolarHBondContact O-NE1 2.71Å
522	G	87.3	Confident	90.1	Very high	9 Å²	9	56.5 Å²	56.5	9%	0.093	27%	0.273	C	S	.	.			trans	118.4	143.5	165.8	0	0	0	0	0	114.5	A517 E518 W524 R525	A517-G522 CarbonylContact O-C 3.53Å; A517-G522 WeakPolarHBondContact O-CA 3.27Å; A517-G522 PolarHBondContact O-N 3.25Å; E518-G522 VanDerWaalsContact OE1-CA 3.25Å; E518-G522 WeakPolarHBondContact OE1-CA 3.04Å; G522-W524 PolarHBondContact O-N 2.81Å; G522-R525 WeakPolarHBondContact O-CB 3.31Å; G522-R525 WeakPolarHBondContact O-CG 3.5Å; G522-R525 PolarHBondContact O-N 3.09Å
523	S	86.1	Confident	89.7	Confident	16 Å²	16	56 Å²	56	11%	0.112	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-56	-25.9	-178.3	76.3	0	0	0	0	114.1	D497 E518 R525 I526	D497-S523 PolarHBondContact OD1-OG 2.97Å; E518-S523 PolarHBondContact OE1-N 3.46Å; S523-R525 PolarHBondContact O-N 2.79Å; S523-R525 VanDerWaalsContact O-N 3.11Å; S523-I526 VanDerWaalsContact O-CB 3.29Å; S523-I526 WeakPolarHBondContact O-CB 3.41Å; S523-I526 WeakPolarHBondContact O-CG1 3.36Å; S523-I526 PolarHBondContact O-N 2.69Å
524	W	82.4	Confident	89.4	Confident	177 Å²	177	55.9 Å²	55.9	67%	0.67	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-54.8	-26.6	173	74	-85.5	0	0	0	113.9	G521 G522 I526 M527	G521-W524 PolarHBondContact O-NE1 2.71Å; G522-W524 PolarHBondContact O-N 2.81Å; W524-I526 VanDerWaalsContact C-N 3.25Å; W524-I526 PolarHBondContact O-N 2.95Å; W524-M527 PolarHBondContact O-N 2.57Å
525	R	86.7	Confident	89.1	Confident	155 Å²	155	54 Å²	54	59%	0.585	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-69.4	-20.9	178.5	-61.4	-170.7	74.3	-160.8	-3.4	113.5	D520 G522 S523 M527	D520-R525 WeakPolarHBondContact O-CD 3.31Å; D520-R525 PolarHBondContact O-NH1 2.73Å; G522-R525 WeakPolarHBondContact O-CB 3.31Å; G522-R525 WeakPolarHBondContact O-CG 3.5Å; G522-R525 PolarHBondContact O-N 3.09Å; S523-R525 PolarHBondContact O-N 2.79Å; S523-R525 VanDerWaalsContact O-N 3.11Å; R525-M527 VanDerWaalsContact C-N 3.3Å
526	I	92	Very high	89.3	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.031	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65.5	-39.4	173.6	-60.5	170.6	0	0	0	109.6	L484 S485 A486 L496 I500 A517 S523 W524	L484-I526 HydrophobicContact CD2-CG2 4.04Å; L484-I526 HydrophobicContact CG-CG2 4.03Å; S485-I526 CarbonylContact C-O 3.47Å; S485-I526 VanDerWaalsContact CA-O 3.3Å; S485-I526 WeakPolarHBondContact CA-O 3.42Å; S485-I526 WeakPolarHBondContact CB-O 3.45Å; A486-I526 HydrophobicContact CB-CG2 4.05Å; A486-I526 PolarHBondContact N-O 3.28Å; L496-I526 HydrophobicContact CD2-CG2 4.14Å; I500-I526 HydrophobicContact CD1-CD1 3.49Å; I500-I526 VanDerWaalsContact CD1-CD1 3.49Å; A517-I526 HydrophobicContact CB-CD1 3.74Å; A517-I526 HydrophobicContact CB-CG1 4.13Å; S523-I526 VanDerWaalsContact O-CB 3.29Å; S523-I526 WeakPolarHBondContact O-CB 3.41Å; S523-I526 WeakPolarHBondContact O-CG1 3.36Å; S523-I526 PolarHBondContact O-N 2.69Å; W524-I526 VanDerWaalsContact C-N 3.25Å; W524-I526 PolarHBondContact O-N 2.95Å
527	M	90.9	Very high	89.4	Confident	50 Å²	50	51.5 Å²	51.5	25%	0.246	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.5	-167.1	-62.7	167.9	-175	0	0	111.5	V493 L496 D497 W524 R525	V493-M527 HydrophobicContact CB-CE 4.5Å; V493-M527 HydrophobicContact CB-SD 4.38Å; V493-M527 HydrophobicContact CG1-CE 3.87Å; V493-M527 HydrophobicContact CG1-SD 3.8Å; V493-M527 HydrophobicContact CG2-SD 4.04Å; L496-M527 HydrophobicContact CD2-CE 4.14Å; L496-M527 HydrophobicContact CD2-CG 4.13Å; D497-M527 HydrophobicContact CB-CE 4.26Å; W524-M527 PolarHBondContact O-N 2.57Å; R525-M527 VanDerWaalsContact C-N 3.3Å
528	K	92.1	Very high	89.5	Confident	95 Å²	95	51 Å²	51	41%	0.413	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151	-178.4	-65.6	173.6	-176.4	168.8	0	110	S485 A486 S487 T488	S485-K528 VanDerWaalsContact CB-CE 3.41Å; S485-K528 PolarHBondContact OG-NZ 3.13Å; A486-K528 PolarHBondContact O-N 3.12Å; S487-K528 WeakPolarHBondContact CA-O 3.32Å; T488-K528 PolarHBondContact N-O 2.67Å
529	P	90.4	Very high	89.7	Confident	95 Å²	95	47 Å²	47	62%	0.617	22%	0.224	S	C	*	.			trans	-66.3	146.2	169.2	29.8	-34.6	0	0	0	110.5
530	L	92.4	Very high	90	Very high	10 Å²	10	40 Å²	40	5%	0.052	20%	0.197	C	C	.	.			trans	-57.9	143.1	166.4	-68	166.5	0	0	0	110.9	S487 A536 Y537 T540 A547	S487-L530 VanDerWaalsContact O-CD2 3.26Å; S487-L530 WeakPolarHBondContact O-CD2 3.38Å; L530-A536 HydrophobicContact CD2-CB 3.63Å; L530-Y537 HydrophobicContact CB-CD2 4.06Å; L530-T540 HydrophobicContact CD1-CG2 4.09Å; L530-T540 WeakPolarHBondContact CD1-OG1 3.4Å; L530-A547 HydrophobicContact CD1-CB 4.44Å
531	Y	90.2	Very high	90.5	Very high	91 Å²	91	37.8 Å²	37.8	36%	0.357	19%	0.186	S	C	.	.			trans	-132.5	157	-178.9	63	-91.2	0	0	0	110.6	N533 S534 Y537 E549 R551	Y531-N533 VanDerWaalsContact C-N 3.35Å; Y531-N533 HydrophobicContact CD2-CB 4.39Å; Y531-N533 HydrophobicContact CE2-CB 4.19Å; Y531-N533 PolarHBondContact O-N 2.97Å; Y531-N533 VanDerWaalsContact O-N 3.11Å; Y531-S534 WeakPolarHBondContact O-CB 3.32Å; Y531-S534 PolarHBondContact O-N 2.86Å; Y531-Y537 VanDerWaalsContact O-CB 3.23Å; Y531-Y537 WeakPolarHBondContact O-CB 3.49Å; Y531-Y537 WeakPolarHBondContact O-CD2 3.45Å; Y531-E549 PolarHBondContact OH-OE1 3.12Å; Y531-R551 VanDerWaalsContact OH-CZ 3.28Å; Y531-R551 PolarHBondContact OH-NH2 3.42Å
532	L	86.7	Confident	90.9	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-50.2	-166.3	-177.7	65.4	0	0	0	114.9	A245 L289 S534 Y537 F693	A245-L532 HydrophobicContact CB-CD2 4.37Å; L289-L532 HydrophobicContact CD1-CD2 4.07Å; L532-S534 VanDerWaalsContact C-N 3.25Å; L532-S534 PolarHBondContact O-N 3.02Å; L532-Y537 HydrophobicContact CD1-CD1 4.1Å; L532-Y537 HydrophobicContact CD1-CE1 3.61Å; L532-F693 HydrophobicContact CD1-CD2 4.32Å; L532-F693 HydrophobicContact CD1-CE2 3.43Å; L532-F693 VanDerWaalsContact CD1-CE2 3.43Å; L532-F693 HydrophobicContact CD1-CZ 3.6Å
533	N	87.4	Confident	91.1	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.15	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	19.5	-173.5	-56.1	35.8	0	0	0	113.6	S243 E285 Y531	S243-N533 VanDerWaalsContact CB-OD1 3.28Å; S243-N533 WeakPolarHBondContact CB-OD1 3.22Å; S243-N533 PolarHBondContact OG-OD1 3.39Å; E285-N533 VanDerWaalsContact CD-ND2 3.32Å; E285-N533 PolarHBondContact OE1-ND2 3.42Å; Y531-N533 VanDerWaalsContact C-N 3.35Å; Y531-N533 HydrophobicContact CD2-CB 4.39Å; Y531-N533 HydrophobicContact CE2-CB 4.19Å; Y531-N533 PolarHBondContact O-N 2.97Å; Y531-N533 VanDerWaalsContact O-N 3.11Å
534	S	90	Very high	91.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-89	139	170	167.4	0	0	0	0	110	N450 Y531 L532 A536 Y537 E549	N450-S534 PolarHBondContact ND2-O 3.26Å; Y531-S534 WeakPolarHBondContact O-CB 3.32Å; Y531-S534 PolarHBondContact O-N 2.86Å; L532-S534 VanDerWaalsContact C-N 3.25Å; L532-S534 PolarHBondContact O-N 3.02Å; S534-A536 PolarHBondContact O-N 3.18Å; S534-A536 PolarHBondContact OG-N 2.91Å; S534-Y537 VanDerWaalsContact O-CB 3.23Å; S534-Y537 WeakPolarHBondContact O-CB 3.33Å; S534-Y537 PolarHBondContact O-N 2.81Å; S534-E549 WeakPolarHBondContact CA-OE2 3.48Å; S534-E549 WeakPolarHBondContact CB-OE2 3.47Å; S534-E549 PolarHBondContact OG-OE2 2.78Å
535	G	89.6	Confident	92.2	Very high	5 Å²	5	26.2 Å²	26.2	5%	0.052	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.8	175.7	0	0	0	0	0	112.9	Y471 D475 E549	Y471-G535 WeakPolarHBondContact CE1-O 3.48Å; D475-G535 WeakPolarHBondContact OD2-CA 3.45Å; G535-E549 PolarHBondContact N-OE2 3.39Å
536	A	96.1	Very high	92.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.6	173.2	0	0	0	0	0	113.8	Y471 L530 S534 F539 A547 E549	Y471-A536 HydrophobicContact CD1-CB 4.25Å; Y471-A536 HydrophobicContact CE1-CB 4.39Å; L530-A536 HydrophobicContact CD2-CB 3.63Å; S534-A536 PolarHBondContact O-N 3.18Å; S534-A536 PolarHBondContact OG-N 2.91Å; A536-F539 PolarHBondContact O-N 3.19Å; A536-A547 HydrophobicContact CB-CB 3.8Å; A536-A547 WeakPolarHBondContact O-CB 3.32Å; A536-E549 HydrophobicContact CB-CB 3.96Å
537	Y	95.4	Very high	93	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.02	9%	0.094	C	C	.	.	H	α-helix	trans	-65.7	-48	-171.4	179.1	-97.3	0	0	0	113	L530 Y531 L532 S534 F539 T540 A541 F693 H698 R700	L530-Y537 HydrophobicContact CB-CD2 4.06Å; Y531-Y537 VanDerWaalsContact O-CB 3.23Å; Y531-Y537 WeakPolarHBondContact O-CB 3.49Å; Y531-Y537 WeakPolarHBondContact O-CD2 3.45Å; L532-Y537 HydrophobicContact CD1-CD1 4.1Å; L532-Y537 HydrophobicContact CD1-CE1 3.61Å; S534-Y537 VanDerWaalsContact O-CB 3.23Å; S534-Y537 WeakPolarHBondContact O-CB 3.33Å; S534-Y537 PolarHBondContact O-N 2.81Å; Y537-F539 VanDerWaalsContact C-N 3.29Å; Y537-F539 PolarHBondContact O-N 3.41Å; Y537-T540 PolarHBondContact O-N 3.11Å; Y537-A541 HydrophobicContact CD1-CB 4.06Å; Y537-A541 HydrophobicContact CD2-CB 4.11Å; Y537-A541 HydrophobicContact CE1-CB 3.69Å; Y537-A541 HydrophobicContact CE2-CB 3.75Å; Y537-A541 HydrophobicContact CG-CB 4.24Å; Y537-A541 WeakPolarHBondContact O-CB 3.48Å; Y537-A541 PolarHBondContact O-N 2.63Å; Y537-F693 HydrophobicContact CD1-CD1 4.35Å; Y537-F693 HydrophobicContact CD1-CE1 4.07Å; Y537-F693 HydrophobicContact CD1-CZ 4.43Å; Y537-F693 AromaticContact CE1-CD1 3.49Å; Y537-F693 HydrophobicContact CE1-CD1 3.49Å; Y537-F693 VanDerWaalsContact CE1-CD1 3.49Å; Y537-F693 HydrophobicContact CE1-CD2 4.05Å; Y537-F693 AromaticContact CE1-CE1 3.49Å; Y537-F693 HydrophobicContact CE1-CE1 3.49Å; Y537-F693 VanDerWaalsContact CE1-CE1 3.49Å; Y537-F693 HydrophobicContact CE1-CE2 4.02Å; Y537-F693 AromaticContact CE1-CG 3.79Å; Y537-F693 HydrophobicContact CE1-CG 3.79Å; Y537-F693 AromaticContact CE1-CZ 3.75Å; Y537-F693 HydrophobicContact CE1-CZ 3.75Å; Y537-F693 WeakPolarHBondContact OH-CG 3.49Å; Y537-H698 VanDerWaalsContact CE2-O 3.28Å; Y537-H698 WeakPolarHBondContact CE2-O 3.31Å; Y537-H698 PolarHBondContact OH-O 2.94Å; Y537-R700 WeakPolarHBondContact OH-CG 3.36Å
538	S	93.7	Very high	93.3	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-35.1	-178.3	-54.3	0	0	0	0	112.3	S291 T454 T540 F542 A543	S291-S538 WeakPolarHBondContact CB-OG 3.11Å; S291-S538 PolarHBondContact OG-OG 3.15Å; T454-S538 PolarHBondContact OG1-OG 2.98Å; S538-T540 PolarHBondContact O-N 2.95Å; S538-F542 VanDerWaalsContact O-CB 3.3Å; S538-F542 WeakPolarHBondContact O-CB 3.28Å; S538-F542 PolarHBondContact O-N 3.33Å; S538-F542 VanDerWaalsContact O-N 3.1Å; S538-A543 PolarHBondContact O-N 3.24Å; S538-A543 VanDerWaalsContact O-N 3.14Å
539	F	95.9	Very high	93.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.7	-47.5	175.8	-79.8	-99	0	0	0	112.1	I395 W443 A453 W456 L457 Y471 A536 Y537 A543 G544 V545 A547	I395-F539 HydrophobicContact CD1-CE1 4.23Å; W443-F539 HydrophobicContact CH2-CZ 4.45Å; W443-F539 HydrophobicContact CZ2-CE2 4.38Å; W443-F539 AromaticContact CZ2-CZ 3.82Å; W443-F539 HydrophobicContact CZ2-CZ 3.82Å; A453-F539 HydrophobicContact CB-CE2 4.45Å; W456-F539 HydrophobicContact CE3-CZ 4.42Å; W456-F539 AromaticContact CZ3-CE1 3.98Å; W456-F539 HydrophobicContact CZ3-CE1 3.98Å; W456-F539 HydrophobicContact CZ3-CZ 4.24Å; L457-F539 HydrophobicContact CD1-CD2 3.99Å; L457-F539 HydrophobicContact CD1-CE2 4.12Å; L457-F539 HydrophobicContact CD1-CG 4.23Å; L457-F539 HydrophobicContact CD1-CZ 4.5Å; L457-F539 HydrophobicContact CD2-CD1 3.74Å; L457-F539 HydrophobicContact CD2-CD2 4.45Å; L457-F539 HydrophobicContact CD2-CE1 3.62Å; L457-F539 HydrophobicContact CD2-CE2 4.32Å; L457-F539 HydrophobicContact CD2-CG 4.15Å; L457-F539 HydrophobicContact CD2-CZ 3.9Å; L457-F539 HydrophobicContact CG-CE2 4.41Å; L457-F539 HydrophobicContact CG-CZ 4.32Å; Y471-F539 VanDerWaalsContact CB-CD1 3.42Å; Y471-F539 HydrophobicContact CD1-CB 4.07Å; Y471-F539 HydrophobicContact CD1-CD1 4.08Å; Y471-F539 AromaticContact CD1-CD2 3.46Å; Y471-F539 HydrophobicContact CD1-CD2 3.46Å; Y471-F539 VanDerWaalsContact CD1-CD2 3.46Å; Y471-F539 HydrophobicContact CD1-CE1 4.44Å; Y471-F539 AromaticContact CD1-CE2 3.91Å; Y471-F539 HydrophobicContact CD1-CE2 3.91Å; Y471-F539 AromaticContact CD1-CG 3.58Å; Y471-F539 HydrophobicContact CD1-CG 3.58Å; Y471-F539 HydrophobicContact CD1-CZ 4.38Å; Y471-F539 AromaticContact CD2-CD1 3.75Å; Y471-F539 HydrophobicContact CD2-CD1 3.75Å; Y471-F539 HydrophobicContact CD2-CD2 4.03Å; Y471-F539 AromaticContact CD2-CE1 3.4Å; Y471-F539 HydrophobicContact CD2-CE1 3.4Å; Y471-F539 VanDerWaalsContact CD2-CE1 3.4Å; Y471-F539 AromaticContact CD2-CE2 3.74Å; Y471-F539 HydrophobicContact CD2-CE2 3.74Å; Y471-F539 HydrophobicContact CD2-CG 4.06Å; Y471-F539 AromaticContact CD2-CZ 3.43Å; Y471-F539 HydrophobicContact CD2-CZ 3.43Å; Y471-F539 VanDerWaalsContact CD2-CZ 3.43Å; Y471-F539 AromaticContact CE1-CD2 3.55Å; Y471-F539 HydrophobicContact CE1-CD2 3.55Å; Y471-F539 AromaticContact CE1-CE2 3.69Å; Y471-F539 HydrophobicContact CE1-CE2 3.69Å; Y471-F539 HydrophobicContact CE1-CG 4.17Å; Y471-F539 HydrophobicContact CE1-CZ 4.38Å; Y471-F539 HydrophobicContact CE2-CD2 4.14Å; Y471-F539 AromaticContact CE2-CE1 3.96Å; Y471-F539 HydrophobicContact CE2-CE1 3.96Å; Y471-F539 AromaticContact CE2-CE2 3.54Å; Y471-F539 HydrophobicContact CE2-CE2 3.54Å; Y471-F539 AromaticContact CE2-CZ 3.46Å; Y471-F539 HydrophobicContact CE2-CZ 3.46Å; Y471-F539 VanDerWaalsContact CE2-CZ 3.46Å; Y471-F539 HydrophobicContact CG-CB 4.21Å; Y471-F539 AromaticContact CG-CD1 3.48Å; Y471-F539 HydrophobicContact CG-CD1 3.48Å; Y471-F539 VanDerWaalsContact CG-CD1 3.48Å; Y471-F539 AromaticContact CG-CD2 3.7Å; Y471-F539 HydrophobicContact CG-CD2 3.7Å; Y471-F539 AromaticContact CG-CE1 3.68Å; Y471-F539 HydrophobicContact CG-CE1 3.68Å; Y471-F539 AromaticContact CG-CE2 3.91Å; Y471-F539 HydrophobicContact CG-CE2 3.91Å; Y471-F539 AromaticContact CG-CG 3.5Å; Y471-F539 HydrophobicContact CG-CG 3.5Å; Y471-F539 VanDerWaalsContact CG-CG 3.5Å; Y471-F539 AromaticContact CG-CZ 3.92Å; Y471-F539 HydrophobicContact CG-CZ 3.92Å; Y471-F539 AromaticContact CZ-CD2 3.9Å; Y471-F539 AromaticContact CZ-CE2 3.5Å; Y471-F539 AromaticContact CZ-CZ 3.95Å; A536-F539 PolarHBondContact O-N 3.19Å; Y537-F539 VanDerWaalsContact C-N 3.29Å; Y537-F539 PolarHBondContact O-N 3.41Å; F539-A543 CarbonylContact O-C 3.58Å; F539-A543 WeakPolarHBondContact O-CB 3.41Å; F539-G544 PolarHBondContact O-N 3.25Å; F539-V545 CarbonylContact C-O 3.59Å; F539-V545 HydrophobicContact CB-CB 4.38Å; F539-V545 HydrophobicContact CD1-CB 4.44Å; F539-V545 HydrophobicContact CD1-CG1 4.43Å; F539-V545 PolarHBondContact O-N 2.88Å; F539-A547 HydrophobicContact CB-CB 3.81Å
540	T	95.9	Very high	93.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-83.3	-49.9	177.3	-59.5	0	0	0	0	113.1	L530 Y537 S538 F542 G544 V545 A547 E678 H698	L530-T540 HydrophobicContact CD1-CG2 4.09Å; L530-T540 WeakPolarHBondContact CD1-OG1 3.4Å; Y537-T540 PolarHBondContact O-N 3.11Å; S538-T540 PolarHBondContact O-N 2.95Å; T540-F542 PolarHBondContact O-N 3.45Å; T540-G544 WeakPolarHBondContact O-CA 3.44Å; T540-G544 PolarHBondContact O-N 3.32Å; T540-V545 WeakPolarHBondContact CA-O 3.35Å; T540-V545 WeakPolarHBondContact CB-O 3.42Å; T540-V545 PolarHBondContact N-O 2.76Å; T540-V545 PolarHBondContact OG1-O 3.03Å; T540-A547 WeakPolarHBondContact OG1-CB 3.18Å; T540-A547 PolarHBondContact OG1-N 3.04Å; T540-A547 VanDerWaalsContact OG1-N 3.14Å; T540-E678 HydrophobicContact CG2-CG 4.26Å; T540-H698 HydrophobicContact CG2-CB 4.34Å
541	A	94.9	Very high	94	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-73.4	-31.3	-168.1	0	0	0	0	0	114	Y537 F693 R694 H695	Y537-A541 HydrophobicContact CD1-CB 4.06Å; Y537-A541 HydrophobicContact CD2-CB 4.11Å; Y537-A541 HydrophobicContact CE1-CB 3.69Å; Y537-A541 HydrophobicContact CE2-CB 3.75Å; Y537-A541 HydrophobicContact CG-CB 4.24Å; Y537-A541 WeakPolarHBondContact O-CB 3.48Å; Y537-A541 PolarHBondContact O-N 2.63Å; A541-F693 HydrophobicContact CB-CB 4.31Å; A541-F693 HydrophobicContact CB-CD1 3.99Å; A541-F693 HydrophobicContact CB-CG 4.46Å; A541-F693 CarbonylContact O-C 3.43Å; A541-F693 VanDerWaalsContact O-CA 3.3Å; A541-F693 WeakPolarHBondContact O-CA 3.41Å; A541-R694 PolarHBondContact O-N 3.03Å; A541-R694 VanDerWaalsContact O-N 3.16Å; A541-H695 PolarHBondContact O-N 3.4Å
542	F	92	Very high	94.3	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.009	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-50.8	-179.8	173.4	-100.3	0	0	0	112.2	L457 E458 L461 S538 T540 A688 P692 F693 R694	L457-F542 HydrophobicContact CB-CD1 4.23Å; L457-F542 HydrophobicContact CB-CE1 4.29Å; E458-F542 HydrophobicContact CG-CE1 3.57Å; E458-F542 HydrophobicContact CG-CZ 3.53Å; L461-F542 HydrophobicContact CD1-CD1 4Å; L461-F542 HydrophobicContact CD1-CE1 3.66Å; L461-F542 HydrophobicContact CD1-CZ 4.06Å; L461-F542 HydrophobicContact CD2-CE1 4.03Å; L461-F542 HydrophobicContact CD2-CE2 4.3Å; L461-F542 HydrophobicContact CD2-CZ 3.62Å; L461-F542 HydrophobicContact CG-CE1 4.31Å; L461-F542 HydrophobicContact CG-CZ 4.39Å; S538-F542 VanDerWaalsContact O-CB 3.3Å; S538-F542 WeakPolarHBondContact O-CB 3.28Å; S538-F542 PolarHBondContact O-N 3.33Å; S538-F542 VanDerWaalsContact O-N 3.1Å; T540-F542 PolarHBondContact O-N 3.45Å; F542-A688 HydrophobicContact CE2-CB 4.37Å; F542-P692 HydrophobicContact CD2-CB 3.59Å; F542-P692 VanDerWaalsContact CD2-O 3.25Å; F542-P692 WeakPolarHBondContact CD2-O 3.3Å; F542-P692 HydrophobicContact CE2-CB 3.87Å; F542-F693 HydrophobicContact CB-CD1 4.23Å; F542-F693 HydrophobicContact CB-CE1 4.48Å; F542-R694 PolarHBondContact O-NH2 3.14Å
543	A	93.2	Very high	94.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-14.9	-172.9	0	0	0	0	0	115.6	L457 L461 L464 S538 F539 V545	L457-A543 HydrophobicContact CB-CB 4.4Å; L457-A543 HydrophobicContact CD1-CB 4.34Å; L457-A543 HydrophobicContact CD2-CB 3.83Å; L457-A543 HydrophobicContact CG-CB 4.43Å; L461-A543 HydrophobicContact CD1-CB 4.22Å; L464-A543 HydrophobicContact CD1-CB 3.89Å; S538-A543 PolarHBondContact O-N 3.24Å; S538-A543 VanDerWaalsContact O-N 3.14Å; F539-A543 CarbonylContact O-C 3.58Å; F539-A543 WeakPolarHBondContact O-CB 3.41Å; A543-V545 HydrophobicContact CB-CG2 4.41Å
544	G	94.8	Very high	94.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.			trans	71.3	35.4	178.2	0	0	0	0	0	114.1	F539 T540 E678 Y679	F539-G544 PolarHBondContact O-N 3.25Å; T540-G544 WeakPolarHBondContact O-CA 3.44Å; T540-G544 PolarHBondContact O-N 3.32Å; G544-E678 WeakPolarHBondContact O-CB 3.22Å; G544-Y679 PolarHBondContact O-N 2.73Å
545	V	96.2	Very high	94.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	7%	0.067	C	C	.	.			trans	-103.8	134.7	173.5	179.3	0	0	0	0	109.2	L464 A468 F539 T540 A543 A547	L464-V545 HydrophobicContact CB-CG2 4.02Å; A468-V545 HydrophobicContact CB-CB 4.44Å; A468-V545 HydrophobicContact CB-CG1 3.71Å; A468-V545 HydrophobicContact CB-CG2 3.79Å; F539-V545 CarbonylContact C-O 3.59Å; F539-V545 HydrophobicContact CB-CB 4.38Å; F539-V545 HydrophobicContact CD1-CB 4.44Å; F539-V545 HydrophobicContact CD1-CG1 4.43Å; F539-V545 PolarHBondContact O-N 2.88Å; T540-V545 WeakPolarHBondContact CA-O 3.35Å; T540-V545 WeakPolarHBondContact CB-O 3.42Å; T540-V545 PolarHBondContact N-O 2.76Å; T540-V545 PolarHBondContact OG1-O 3.03Å; A543-V545 HydrophobicContact CB-CG2 4.41Å; V545-A547 PolarHBondContact O-N 2.83Å
546	P	96.9	Very high	94.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	8%	0.084	C	C	.	.			trans	-61.6	121.8	177	-20.1	31	0	0	0	110.6	V469 A470 Y471 L491 L492 L605 E678	V469-P546 WeakPolarHBondContact O-CD 3.32Å; A470-P546 CarbonylContact C-O 3.47Å; A470-P546 WeakPolarHBondContact CA-O 3.11Å; Y471-P546 PolarHBondContact N-O 2.91Å; L491-P546 HydrophobicContact CD1-CG 4.16Å; L492-P546 HydrophobicContact CD1-CB 3.96Å; L492-P546 HydrophobicContact CG-CB 4.18Å; P546-L605 HydrophobicContact CG-CD1 4.32Å; P546-E678 VanDerWaalsContact CA-OE2 3.29Å; P546-E678 WeakPolarHBondContact CA-OE2 3.36Å; P546-E678 WeakPolarHBondContact CB-OE2 3.29Å; P546-E678 HydrophobicContact CG-CB 4.01Å; P546-E678 HydrophobicContact CG-CG 4.18Å; P546-E678 WeakPolarHBondContact CG-OE2 3.38Å
547	A	97.6	Very high	94	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.7	-173.3	0	0	0	0	0	113.8	Y471 T488 S489 L492 L530 A536 F539 T540 V545	Y471-A547 HydrophobicContact CD1-CB 4.27Å; Y471-A547 CarbonylContact O-C 3.58Å; Y471-A547 VanDerWaalsContact O-CA 3.28Å; Y471-A547 WeakPolarHBondContact O-CA 3.37Å; T488-A547 VanDerWaalsContact CA-O 3.26Å; T488-A547 WeakPolarHBondContact CA-O 3.49Å; T488-A547 PolarHBondContact OG1-O 3.46Å; S489-A547 PolarHBondContact N-O 2.95Å; L492-A547 WeakPolarHBondContact CD1-O 3.35Å; L530-A547 HydrophobicContact CD1-CB 4.44Å; A536-A547 HydrophobicContact CB-CB 3.8Å; A536-A547 WeakPolarHBondContact O-CB 3.32Å; F539-A547 HydrophobicContact CB-CB 3.81Å; T540-A547 WeakPolarHBondContact OG1-CB 3.18Å; T540-A547 PolarHBondContact OG1-N 3.04Å; T540-A547 VanDerWaalsContact OG1-N 3.14Å; V545-A547 PolarHBondContact O-N 2.83Å
548	M	97.5	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.1	178.8	-175.5	175.1	-70.1	0	0	111.1	Y471 F472 S473 S487 T488 L492 L496 L550 M593	Y471-M548 PolarHBondContact O-N 3.35Å; F472-M548 CarbonylContact C-O 3.58Å; F472-M548 WeakPolarHBondContact CA-O 3.39Å; F472-M548 HydrophobicContact CD1-CB 4.03Å; F472-M548 HydrophobicContact CD1-CG 4.46Å; F472-M548 HydrophobicContact CD1-SD 4.27Å; F472-M548 HydrophobicContact CE1-CB 4.26Å; F472-M548 HydrophobicContact CE1-SD 3.99Å; S473-M548 PolarHBondContact N-O 2.64Å; S487-M548 CarbonylContact O-C 3.59Å; S487-M548 WeakPolarHBondContact O-CA 3.28Å; T488-M548 HydrophobicContact CG2-CE 4.13Å; T488-M548 WeakPolarHBondContact OG1-CB 3.35Å; T488-M548 WeakPolarHBondContact OG1-CE 3.15Å; L492-M548 HydrophobicContact CB-CE 3.64Å; L492-M548 HydrophobicContact CD1-CB 4.13Å; L496-M548 HydrophobicContact CB-CE 3.92Å; L496-M548 HydrophobicContact CD1-SD 4.35Å; L496-M548 HydrophobicContact CD2-CE 4.32Å; M548-L550 HydrophobicContact CG-CD1 4.19Å; M548-L550 HydrophobicContact CG-CD2 4.38Å; M548-L550 HydrophobicContact CG-CG 3.94Å; M548-L550 HydrophobicContact SD-CD1 3.8Å; M548-L550 HydrophobicContact SD-CD2 3.85Å; M548-L550 HydrophobicContact SD-CG 3.86Å; M548-M593 HydrophobicContact CE-SD 4.23Å; M548-M593 HydrophobicContact SD-CE 3.71Å; M548-M593 HydrophobicContact SD-SD 3.89Å
549	E	97.6	Very high	93.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.3	167.2	-176.4	-175.7	102.4	0	0	108.7	S473 A486 S487 Y531 S534 G535 A536 R551	S473-E549 WeakPolarHBondContact OG-CG 3.45Å; S473-E549 PolarHBondContact OG-OE2 3.47Å; A486-E549 CarbonylContact C-O 3.56Å; A486-E549 VanDerWaalsContact CA-O 3.31Å; A486-E549 WeakPolarHBondContact CA-O 3.29Å; S487-E549 PolarHBondContact N-O 2.99Å; S487-E549 PolarHBondContact O-N 2.75Å; Y531-E549 PolarHBondContact OH-OE1 3.12Å; S534-E549 WeakPolarHBondContact CA-OE2 3.48Å; S534-E549 WeakPolarHBondContact CB-OE2 3.47Å; S534-E549 PolarHBondContact OG-OE2 2.78Å; G535-E549 PolarHBondContact N-OE2 3.39Å; A536-E549 HydrophobicContact CB-CB 3.96Å; E549-R551 IonicContact OE1-CZ 3.65Å; E549-R551 IonicContact OE1-NE 2.65Å; E549-R551 PolarHBondContact OE1-NE 3.29Å; E549-R551 IonicContact OE1-NH2 3.2Å; E549-R551 PolarHBondContact OE1-NH2 2.98Å; E549-R551 IonicContact OE2-NH2 3.38Å
550	L	96.5	Very high	93.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.5	-171.8	-68.2	144.8	0	0	0	110.7	F472 A477 L484 A486 L496 M548 L586 L589 V590 M593	F472-L550 HydrophobicContact CD1-CD1 4.49Å; A477-L550 WeakPolarHBondContact CA-O 3.44Å; L484-L550 HydrophobicContact CD1-CD2 4.34Å; A486-L550 HydrophobicContact CB-CD2 3.72Å; L496-L550 HydrophobicContact CD1-CD2 3.87Å; M548-L550 HydrophobicContact CG-CD1 4.19Å; M548-L550 HydrophobicContact CG-CD2 4.38Å; M548-L550 HydrophobicContact CG-CG 3.94Å; M548-L550 HydrophobicContact SD-CD1 3.8Å; M548-L550 HydrophobicContact SD-CD2 3.85Å; M548-L550 HydrophobicContact SD-CG 3.86Å; L550-L586 HydrophobicContact CB-CD1 3.98Å; L550-L589 HydrophobicContact CD2-CD2 4.22Å; L550-V590 HydrophobicContact CD1-CG2 3.63Å; L550-M593 HydrophobicContact CD1-CE 3.53Å; L550-M593 HydrophobicContact CD2-CE 4.27Å
551	R	95.7	Very high	93.8	Very high	20 Å²	20	23 Å²	23	8%	0.075	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.2	-177.5	-58	178.4	-179.5	-126.6	-5.1	111.7	Q476 A477 L484 S485 Y531 E549 T553	Q476-R551 VanDerWaalsContact CB-NH1 3.33Å; Q476-R551 VanDerWaalsContact OE1-NH2 3.14Å; A477-R551 WeakPolarHBondContact O-CA 3.28Å; L484-R551 CarbonylContact C-O 3.44Å; S485-R551 PolarHBondContact N-O 2.96Å; S485-R551 PolarHBondContact O-N 3.16Å; Y531-R551 VanDerWaalsContact OH-CZ 3.28Å; Y531-R551 PolarHBondContact OH-NH2 3.42Å; E549-R551 IonicContact OE1-CZ 3.65Å; E549-R551 IonicContact OE1-NE 2.65Å; E549-R551 PolarHBondContact OE1-NE 3.29Å; E549-R551 IonicContact OE1-NH2 3.2Å; E549-R551 PolarHBondContact OE1-NH2 2.98Å; E549-R551 IonicContact OE2-NH2 3.38Å; R551-T553 HydrophobicContact CB-CG2 4.41Å
552	F	96.9	Very high	93.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.3	159.7	-81.4	-78.2	0	0	0	110.4	A477 M479 G480 H483 L484 H505 P506 I513 T582 L586	A477-F552 PolarHBondContact O-N 3.48Å; M479-F552 WeakPolarHBondContact CA-O 3.22Å; M479-F552 WeakPolarHBondContact CB-O 3.41Å; M479-F552 PolarHBondContact N-O 2.96Å; G480-F552 PolarHBondContact N-O 3.43Å; G480-F552 VanDerWaalsContact N-O 3.15Å; G480-F552 VanDerWaalsContact O-CB 3.23Å; G480-F552 WeakPolarHBondContact O-CB 3.5Å; H483-F552 CarbonylContact O-C 3.32Å; H483-F552 WeakPolarHBondContact O-CA 3.18Å; L484-F552 HydrophobicContact CB-CD1 4.09Å; L484-F552 HydrophobicContact CB-CE1 3.86Å; L484-F552 HydrophobicContact CB-CZ 4.35Å; L484-F552 HydrophobicContact CD1-CD1 4.47Å; L484-F552 HydrophobicContact CD1-CD2 4.19Å; L484-F552 HydrophobicContact CD1-CE1 4.42Å; L484-F552 HydrophobicContact CD1-CE2 4.14Å; L484-F552 HydrophobicContact CD1-CG 4.36Å; L484-F552 HydrophobicContact CD1-CZ 4.25Å; H505-F552 AromaticContact NE2-CE1 3.73Å; P506-F552 HydrophobicContact CG-CD1 4.27Å; P506-F552 HydrophobicContact CG-CE1 3.8Å; P506-F552 HydrophobicContact CG-CE2 4.2Å; P506-F552 HydrophobicContact CG-CZ 3.76Å; I513-F552 HydrophobicContact CD1-CZ 3.94Å; I513-F552 HydrophobicContact CG1-CZ 4.42Å; F552-T582 HydrophobicContact CB-CG2 4.24Å; F552-T582 HydrophobicContact CD2-CG2 4.1Å; F552-T582 HydrophobicContact CG-CG2 4.24Å; F552-L586 HydrophobicContact CD2-CB 4.15Å; F552-L586 HydrophobicContact CD2-CD1 4.07Å; F552-L586 HydrophobicContact CD2-CD2 4.31Å; F552-L586 HydrophobicContact CD2-CG 4.42Å; F552-L586 HydrophobicContact CE2-CB 4.03Å; F552-L586 HydrophobicContact CE2-CD1 3.99Å
553	T	94.1	Very high	93.9	Very high	34 Å²	34	23.7 Å²	23.7	21%	0.209	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.4	-172	51.9	0	0	0	0	111.2	M479 D482 H483 R551	M479-T553 HydrophobicContact CB-CG2 4.12Å; D482-T553 PolarHBondContact N-O 3.45Å; H483-T553 PolarHBondContact N-O 3.25Å; H483-T553 PolarHBondContact O-N 2.79Å; H483-T553 PolarHBondContact O-OG1 3.21Å; R551-T553 HydrophobicContact CB-CG2 4.41Å
554	E	90.6	Very high	94	Very high	49 Å²	49	27.2 Å²	27.2	23%	0.229	15%	0.146	C	C	.	.			trans	-104.8	166.1	168.6	-65.2	-63.4	101.5	0	0	110.3	D481 D482 K507 R556 V574	D481-E554 PolarHBondContact N-OE1 2.96Å; D482-E554 PolarHBondContact N-OE1 2.88Å; K507-E554 IonicContact NZ-OE1 2.97Å; K507-E554 PolarHBondContact NZ-OE1 2.66Å; K507-E554 IonicContact NZ-OE2 2.98Å; K507-E554 PolarHBondContact NZ-OE2 3Å; E554-R556 PolarHBondContact O-N 2.8Å; E554-R556 VanDerWaalsContact O-N 3.13Å; E554-V574 HydrophobicContact CG-CG1 4.17Å
555	D	86.7	Confident	94	Very high	146 Å²	146	29.3 Å²	29.3	78%	0.781	16%	0.157	S	C	*	.	S	Bend	trans	-51	-31.3	164.9	-83.9	-15.3	0	0	0	112.8	H483	H483-D555 IonicContact CD2-OD1 2.65Å; H483-D555 PolarHBondContact CD2-OD1 3.01Å; H483-D555 IonicContact NE2-OD1 3.88Å; H483-D555 PolarHBondContact NE2-OD1 3.4Å; H483-D555 IonicContact NE2-OD2 3.91Å; H483-D555 PolarHBondContact NE2-OD2 3.3Å
556	R	85.6	Confident	94	Very high	109 Å²	109	29.3 Å²	29.3	41%	0.411	16%	0.157	S	C	.	.	S	Bend	trans	-95.4	117.5	176.1	179	-179.4	-178.7	145.3	-0.9	109.4	L275 E554 Y558	L275-R556 PolarHBondContact O-NE 3.02Å; L275-R556 PolarHBondContact O-NH2 2.93Å; E554-R556 PolarHBondContact O-N 2.8Å; E554-R556 VanDerWaalsContact O-N 3.13Å; R556-Y558 PolarHBondContact O-N 2.9Å
557	A	87.3	Confident	94	Very high	54 Å²	54	31 Å²	31	45%	0.446	17%	0.167	S	C	.	.			trans	-51.5	132.8	175.4	0	0	0	0	0	112.2	L268 P559	L268-A557 HydrophobicContact CD2-CB 4.35Å; A557-P559 VanDerWaalsContact O-CD 3.3Å; A557-P559 WeakPolarHBondContact O-CD 3.3Å
558	Y	92.8	Very high	93.9	Very high	20 Å²	20	31.7 Å²	31.7	8%	0.078	17%	0.171	C	C	.	.			trans	-63.5	112.6	175.6	-177.8	-90.5	0	0	0	109.6	V408 M479 R556 F560 L561 D566 L571 V574	V408-Y558 HydrophobicContact CB-CE1 4.14Å; V408-Y558 HydrophobicContact CG2-CD1 4.24Å; V408-Y558 HydrophobicContact CG2-CD2 4.39Å; V408-Y558 HydrophobicContact CG2-CE1 3.63Å; V408-Y558 HydrophobicContact CG2-CE2 3.82Å; V408-Y558 VanDerWaalsContact CG2-CZ 3.41Å; M479-Y558 HydrophobicContact CB-CG 4.36Å; M479-Y558 HydrophobicContact CG-CG 4.31Å; R556-Y558 PolarHBondContact O-N 2.9Å; Y558-F560 HydrophobicContact CD1-CB 4.45Å; Y558-F560 HydrophobicContact CE1-CB 3.67Å; Y558-F560 HydrophobicContact CE1-CD2 4.12Å; Y558-F560 HydrophobicContact CE1-CG 4.4Å; Y558-F560 HydrophobicContact CE2-CD2 4Å; Y558-F560 AromaticContact CZ-CD2 3.71Å; Y558-F560 PolarHBondContact O-N 3.21Å; Y558-L561 HydrophobicContact CD1-CB 4.22Å; Y558-D566 PolarHBondContact OH-OD1 2.72Å; Y558-L571 HydrophobicContact CE2-CD1 3.95Å; Y558-V574 HydrophobicContact CD2-CG2 3.93Å; Y558-V574 HydrophobicContact CE2-CG2 3.92Å
559	P	92.6	Very high	93.8	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.032	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.1	-160.5	36.1	-37.6	0	0	0	113.7	L277 A557	L277-P559 WeakPolarHBondContact CD1-O 3.42Å; L277-P559 VanDerWaalsContact CD2-O 3.32Å; L277-P559 WeakPolarHBondContact CD2-O 3.37Å; L277-P559 HydrophobicContact CG-CB 4.27Å; L277-P559 WeakPolarHBondContact CG-O 3.42Å; A557-P559 VanDerWaalsContact O-CD 3.3Å; A557-P559 WeakPolarHBondContact O-CD 3.3Å
560	F	95.3	Very high	93.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.4	-169.5	-47.9	-69.7	0	0	0	114.3	L275 G276 L277 Y558 T563 L565 D566 R570	L275-F560 HydrophobicContact CD2-CE2 4.23Å; G276-F560 WeakPolarHBondContact O-CE1 3.31Å; L277-F560 HydrophobicContact CD2-CD1 4.1Å; Y558-F560 HydrophobicContact CD1-CB 4.45Å; Y558-F560 HydrophobicContact CE1-CB 3.67Å; Y558-F560 HydrophobicContact CE1-CD2 4.12Å; Y558-F560 HydrophobicContact CE1-CG 4.4Å; Y558-F560 HydrophobicContact CE2-CD2 4Å; Y558-F560 AromaticContact CZ-CD2 3.71Å; Y558-F560 PolarHBondContact O-N 3.21Å; F560-T563 WeakPolarHBondContact O-CB 3.5Å; F560-T563 PolarHBondContact O-N 3Å; F560-T563 VanDerWaalsContact O-N 3.12Å; F560-T563 PolarHBondContact O-OG1 3.44Å; F560-L565 HydrophobicContact CB-CB 4.13Å; F560-L565 HydrophobicContact CD1-CB 3.57Å; F560-L565 HydrophobicContact CD1-CD1 4.09Å; F560-L565 HydrophobicContact CD1-CG 4.49Å; F560-L565 HydrophobicContact CE1-CB 4.36Å; F560-L565 HydrophobicContact CE1-CD1 4.36Å; F560-L565 HydrophobicContact CG-CB 4.18Å; F560-D566 WeakPolarHBondContact O-CB 3.49Å; F560-R570 HydrophobicContact CD2-CB 3.91Å; F560-R570 HydrophobicContact CD2-CG 4.47Å; F560-R570 HydrophobicContact CE1-CG 4.47Å; F560-R570 HydrophobicContact CE2-CB 3.77Å; F560-R570 HydrophobicContact CE2-CG 4.16Å; F560-R570 HydrophobicContact CZ-CB 4.28Å; F560-R570 HydrophobicContact CZ-CG 4.15Å
561	L	94.4	Very high	93.6	Very high	37 Å²	37	38.3 Å²	38.3	19%	0.194	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	136.7	-177.5	-178.1	71.5	0	0	0	111.9	V408 K409 Q476 M479 Y558 T563	V408-L561 HydrophobicContact CG1-CD1 4.35Å; K409-L561 HydrophobicContact CB-CD1 4.43Å; K409-L561 HydrophobicContact CD-CD1 4.33Å; Q476-L561 HydrophobicContact CG-CD1 3.92Å; M479-L561 HydrophobicContact CE-CB 4.36Å; M479-L561 HydrophobicContact CE-CD1 3.71Å; M479-L561 HydrophobicContact CE-CD2 3.57Å; M479-L561 HydrophobicContact CE-CG 4.06Å; Y558-L561 HydrophobicContact CD1-CB 4.22Å; L561-T563 PolarHBondContact O-N 2.79Å
562	N	95	Very high	93.5	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.08	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	36	-175.4	-47.1	-13.2	0	0	0	113.7	V283 S284 K409	V283-N562 HydrophobicContact CG1-CB 4.25Å; S284-N562 PolarHBondContact N-O 2.82Å; S284-N562 WeakPolarHBondContact O-CB 3.02Å; S284-N562 PolarHBondContact O-ND2 3.11Å; K409-N562 PolarHBondContact NZ-OD1 2.96Å
563	T	95.5	Very high	93.3	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	24%	0.238	C	C	.	.	S	Bend	trans	-130.4	162.4	171.7	78.4	0	0	0	0	111.1	L277 T281 A282 V283 F560 L561 L565 D566	L277-T563 HydrophobicContact CD2-CG2 4.02Å; T281-T563 HydrophobicContact CG2-CG2 3.76Å; A282-T563 WeakPolarHBondContact O-CG2 3.42Å; V283-T563 HydrophobicContact CG2-CG2 3.9Å; F560-T563 WeakPolarHBondContact O-CB 3.5Å; F560-T563 PolarHBondContact O-N 3Å; F560-T563 VanDerWaalsContact O-N 3.12Å; F560-T563 PolarHBondContact O-OG1 3.44Å; L561-T563 PolarHBondContact O-N 2.79Å; T563-L565 PolarHBondContact O-N 3.22Å; T563-L565 PolarHBondContact OG1-N 3.02Å; T563-D566 PolarHBondContact O-N 3.38Å
564	P	94.6	Very high	93.2	Very high	74 Å²	74	43.8 Å²	43.8	48%	0.481	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-1.3	172	-24.4	35.6	0	0	0	115.6
565	L	94.9	Very high	93.4	Very high	44 Å²	44	41.4 Å²	41.4	23%	0.23	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-5.6	179.2	-60.1	176.4	0	0	0	113.6	L277 F560 T563 T567	L277-L565 HydrophobicContact CD2-CD1 3.93Å; F560-L565 HydrophobicContact CB-CB 4.13Å; F560-L565 HydrophobicContact CD1-CB 3.57Å; F560-L565 HydrophobicContact CD1-CD1 4.09Å; F560-L565 HydrophobicContact CD1-CG 4.49Å; F560-L565 HydrophobicContact CE1-CB 4.36Å; F560-L565 HydrophobicContact CE1-CD1 4.36Å; F560-L565 HydrophobicContact CG-CB 4.18Å; T563-L565 PolarHBondContact O-N 3.22Å; T563-L565 PolarHBondContact OG1-N 3.02Å; L565-T567 VanDerWaalsContact C-N 3.3Å; L565-T567 PolarHBondContact O-N 3.08Å; L565-T567 PolarHBondContact O-OG1 3.07Å
566	D	96.7	Very high	93.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.214	C	C	.	.			trans	-67.9	83.2	175.4	-173.1	5.8	0	0	0	111.1	P405 G406 A407 V408 K409 Y558 F560 T563	P405-D566 CarbonylContact C-O 3.5Å; G406-D566 WeakPolarHBondContact CA-OD2 3.43Å; G406-D566 PolarHBondContact N-O 2.61Å; A407-D566 PolarHBondContact N-O 3.23Å; A407-D566 PolarHBondContact N-OD1 2.99Å; V408-D566 WeakPolarHBondContact CB-OD1 3.5Å; V408-D566 PolarHBondContact N-OD1 3.49Å; V408-D566 PolarHBondContact N-OD2 2.83Å; K409-D566 WeakPolarHBondContact CB-OD2 3.4Å; K409-D566 PolarHBondContact N-OD2 3.34Å; Y558-D566 PolarHBondContact OH-OD1 2.72Å; F560-D566 WeakPolarHBondContact O-CB 3.49Å; T563-D566 PolarHBondContact O-N 3.38Å
567	T	96.1	Very high	94	Very high	36 Å²	36	34.1 Å²	34.1	22%	0.221	22%	0.216	C	C	.	.			trans	-136.8	148.5	-164.8	53.6	0	0	0	0	111.1	P405 A407 L565 P569 R570 L571	P405-T567 HydrophobicContact CB-CG2 3.97Å; P405-T567 HydrophobicContact CG-CG2 3.93Å; A407-T567 VanDerWaalsContact CB-C 3.47Å; L565-T567 VanDerWaalsContact C-N 3.3Å; L565-T567 PolarHBondContact O-N 3.08Å; L565-T567 PolarHBondContact O-OG1 3.07Å; T567-P569 VanDerWaalsContact C-CD 3.5Å; T567-R570 PolarHBondContact O-N 3.31Å; T567-R570 WeakPolarHBondContact OG1-CG 3.35Å; T567-L571 PolarHBondContact O-N 2.84Å
568	V	96.2	Very high	94.3	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.085	21%	0.21	C	C	.	.	H	α-helix	trans	-54.9	-42.3	-176.2	-167.3	0	0	0	0	113.7	L118 V121 S125 A407 R570 L571 Q572 L579	L118-V568 HydrophobicContact CD1-CG1 3.8Å; V121-V568 HydrophobicContact CG1-CG2 3.95Å; S125-V568 WeakPolarHBondContact OG-CG2 3.41Å; A407-V568 HydrophobicContact CB-CG2 4.19Å; V568-R570 VanDerWaalsContact C-N 3.28Å; V568-R570 PolarHBondContact O-N 2.98Å; V568-L571 PolarHBondContact O-N 3.47Å; V568-Q572 HydrophobicContact CG1-CG 4.27Å; V568-Q572 WeakPolarHBondContact O-CB 3.45Å; V568-Q572 PolarHBondContact O-N 3.47Å; V568-L579 HydrophobicContact CG1-CD2 4.39Å
569	P	94.8	Very high	94.4	Very high	94 Å²	94	34.8 Å²	34.8	61%	0.61	21%	0.207	S	C	*	.	H	α-helix	trans	-60.8	-36.8	177.3	-24.8	36.3	0	0	0	112.9	T567 E573	T567-P569 VanDerWaalsContact C-CD 3.5Å; P569-E573 WeakPolarHBondContact O-CB 3.44Å; P569-E573 PolarHBondContact O-N 3.05Å
570	R	93.9	Very high	94.4	Very high	49 Å²	49	35.1 Å²	35.1	19%	0.185	21%	0.211	C	C	.	.	H	α-helix	trans	-72.7	-37.7	175.8	-68.9	-55.4	-165.1	161.9	9.3	112.5	P272 R274 F560 T567 V568 E573 V574	P272-R570 PolarHBondContact O-NH2 2.89Å; R274-R570 PolarHBondContact O-NH1 2.83Å; F560-R570 HydrophobicContact CD2-CB 3.91Å; F560-R570 HydrophobicContact CD2-CG 4.47Å; F560-R570 HydrophobicContact CE1-CG 4.47Å; F560-R570 HydrophobicContact CE2-CB 3.77Å; F560-R570 HydrophobicContact CE2-CG 4.16Å; F560-R570 HydrophobicContact CZ-CB 4.28Å; F560-R570 HydrophobicContact CZ-CG 4.15Å; T567-R570 PolarHBondContact O-N 3.31Å; T567-R570 WeakPolarHBondContact OG1-CG 3.35Å; V568-R570 VanDerWaalsContact C-N 3.28Å; V568-R570 PolarHBondContact O-N 2.98Å; R570-E573 VanDerWaalsContact CD-OE2 3.24Å; R570-E573 WeakPolarHBondContact CD-OE2 3.3Å; R570-E573 IonicContact CZ-OE2 3.52Å; R570-E573 IonicContact NE-OE2 2.76Å; R570-E573 IonicContact NH1-OE1 2.71Å; R570-E573 IonicContact NH1-OE2 3.5Å; R570-E573 PolarHBondContact NH1-OE2 3.34Å; R570-E573 PolarHBondContact O-N 3.45Å; R570-V574 WeakPolarHBondContact O-CG2 3.4Å; R570-V574 PolarHBondContact O-N 3.19Å; R570-V574 VanDerWaalsContact O-N 3.1Å
571	L	95.2	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-41.3	173.1	-177	55.6	0	0	0	111.7	A407 V408 V412 Y558 T567 V568 V574 L575 L579	A407-L571 HydrophobicContact CB-CD2 4.46Å; V408-L571 HydrophobicContact CG2-CD1 3.66Å; V408-L571 HydrophobicContact CG2-CD2 3.92Å; V408-L571 HydrophobicContact CG2-CG 4.27Å; V412-L571 HydrophobicContact CG2-CD2 3.66Å; Y558-L571 HydrophobicContact CE2-CD1 3.95Å; T567-L571 PolarHBondContact O-N 2.84Å; V568-L571 PolarHBondContact O-N 3.47Å; L571-V574 PolarHBondContact O-N 3Å; L571-L575 HydrophobicContact CD1-CD1 3.77Å; L571-L575 HydrophobicContact CD1-CG 4.15Å; L571-L575 HydrophobicContact CG-CD1 3.9Å; L571-L575 VanDerWaalsContact O-CG 3.31Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 2.94Å; L571-L579 HydrophobicContact CD2-CD1 3.84Å; L571-L579 HydrophobicContact CD2-CD2 4.1Å; L571-L579 HydrophobicContact CG-CD1 4.25Å
572	Q	93.8	Very high	94.4	Very high	67 Å²	67	36.5 Å²	36.5	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-35.3	173.2	-76.5	-169.6	-31.8	0	0	113	L118 V568 V574 L575 G576 G577	L118-Q572 VanDerWaalsContact CD1-NE2 3.31Å; V568-Q572 HydrophobicContact CG1-CG 4.27Å; V568-Q572 WeakPolarHBondContact O-CB 3.45Å; V568-Q572 PolarHBondContact O-N 3.47Å; Q572-V574 VanDerWaalsContact C-N 3.33Å; Q572-L575 PolarHBondContact O-N 3.17Å; Q572-G576 PolarHBondContact O-N 2.89Å; Q572-G577 PolarHBondContact O-N 2.96Å
573	E	92.9	Very high	94.5	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.379	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-39.1	173.3	-169.1	-167.4	161.3	0	0	111.4	L275 P569 R570	L275-E573 HydrophobicContact CD2-CB 3.7Å; L275-E573 HydrophobicContact CD2-CG 3.5Å; L275-E573 VanDerWaalsContact CD2-CG 3.5Å; L275-E573 HydrophobicContact CG-CG 4Å; L275-E573 PolarHBondContact N-OE1 3.41Å; P569-E573 WeakPolarHBondContact O-CB 3.44Å; P569-E573 PolarHBondContact O-N 3.05Å; R570-E573 VanDerWaalsContact CD-OE2 3.24Å; R570-E573 WeakPolarHBondContact CD-OE2 3.3Å; R570-E573 IonicContact CZ-OE2 3.52Å; R570-E573 IonicContact NE-OE2 2.76Å; R570-E573 IonicContact NH1-OE1 2.71Å; R570-E573 IonicContact NH1-OE2 3.5Å; R570-E573 PolarHBondContact NH1-OE2 3.34Å; R570-E573 PolarHBondContact O-N 3.45Å
574	V	93	Very high	94.5	Very high	21 Å²	21	39 Å²	39	13%	0.127	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-50.1	174	174.4	0	0	0	0	111.2	L275 E554 Y558 R570 L571 Q572 G576	L275-V574 HydrophobicContact CD1-CG2 4.08Å; L275-V574 HydrophobicContact CD2-CB 4.39Å; L275-V574 HydrophobicContact CD2-CG2 3.47Å; L275-V574 VanDerWaalsContact CD2-CG2 3.47Å; L275-V574 HydrophobicContact CG-CG2 4.34Å; E554-V574 HydrophobicContact CG-CG1 4.17Å; Y558-V574 HydrophobicContact CD2-CG2 3.93Å; Y558-V574 HydrophobicContact CE2-CG2 3.92Å; R570-V574 WeakPolarHBondContact O-CG2 3.4Å; R570-V574 PolarHBondContact O-N 3.19Å; R570-V574 VanDerWaalsContact O-N 3.1Å; L571-V574 PolarHBondContact O-N 3Å; Q572-V574 VanDerWaalsContact C-N 3.33Å; V574-G576 VanDerWaalsContact C-N 3.25Å; V574-G576 PolarHBondContact O-N 2.84Å
575	L	93.6	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.3	-172.5	-59.4	172.8	0	0	0	113.8	I478 G480 D481 L571 Q572 G577 R578 L579	I478-L575 HydrophobicContact CG2-CD1 3.67Å; I478-L575 HydrophobicContact CG2-CD2 3.88Å; I478-L575 HydrophobicContact CG2-CG 4.4Å; G480-L575 WeakPolarHBondContact O-CD2 3.49Å; D481-L575 HydrophobicContact CB-CD2 4.03Å; L571-L575 HydrophobicContact CD1-CD1 3.77Å; L571-L575 HydrophobicContact CD1-CG 4.15Å; L571-L575 HydrophobicContact CG-CD1 3.9Å; L571-L575 VanDerWaalsContact O-CG 3.31Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 2.94Å; Q572-L575 PolarHBondContact O-N 3.17Å; L575-G577 PolarHBondContact O-N 2.86Å; L575-G577 VanDerWaalsContact O-N 3.14Å; L575-R578 WeakPolarHBondContact O-CB 3.16Å; L575-R578 WeakPolarHBondContact O-CG 3.31Å; L575-R578 PolarHBondContact O-N 2.98Å; L575-R578 PolarHBondContact O-NE 2.9Å; L575-R578 PolarHBondContact O-NH2 3.39Å; L575-L579 HydrophobicContact CD1-CB 3.89Å; L575-L579 HydrophobicContact CD1-CD1 3.6Å; L575-L579 HydrophobicContact CD1-CG 4.32Å
576	G	92.7	Very high	94.6	Very high	57 Å²	57	33.8 Å²	33.8	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	34.9	-172.1	0	0	0	0	0	113.1	Q572 V574	Q572-G576 PolarHBondContact O-N 2.89Å; V574-G576 VanDerWaalsContact C-N 3.25Å; V574-G576 PolarHBondContact O-N 2.84Å
577	G	92.4	Very high	94.7	Very high	44 Å²	44	33.7 Å²	33.7	45%	0.454	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-9.2	-175.4	0	0	0	0	0	116.7	Q572 L575 L579	Q572-G577 PolarHBondContact O-N 2.96Å; L575-G577 PolarHBondContact O-N 2.86Å; L575-G577 VanDerWaalsContact O-N 3.14Å; G577-L579 PolarHBondContact O-N 2.75Å
578	R	93.4	Very high	94.7	Very high	86 Å²	86	32.9 Å²	32.9	33%	0.325	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	18.7	-171.6	-63.7	-178.2	-65.3	-85.8	-1.7	116.3	D481 L575 G580 V581 T582	D481-R578 VanDerWaalsContact CG-NH2 3.28Å; D481-R578 IonicContact OD1-CZ 3.83Å; D481-R578 IonicContact OD1-NE 2.84Å; D481-R578 IonicContact OD1-NH2 3.14Å; D481-R578 PolarHBondContact OD1-NH2 2.65Å; D481-R578 IonicContact OD2-CZ 3.33Å; D481-R578 IonicContact OD2-NE 2.67Å; D481-R578 PolarHBondContact OD2-NE 3.32Å; D481-R578 IonicContact OD2-NH2 2.72Å; D481-R578 PolarHBondContact OD2-NH2 3.13Å; L575-R578 WeakPolarHBondContact O-CB 3.16Å; L575-R578 WeakPolarHBondContact O-CG 3.31Å; L575-R578 PolarHBondContact O-N 2.98Å; L575-R578 PolarHBondContact O-NE 2.9Å; L575-R578 PolarHBondContact O-NH2 3.39Å; R578-G580 VanDerWaalsContact C-N 3.32Å; R578-G580 PolarHBondContact O-N 2.79Å; R578-V581 PolarHBondContact O-N 3.38Å; R578-V581 VanDerWaalsContact O-N 3.16Å; R578-T582 PolarHBondContact O-N 3.12Å; R578-T582 PolarHBondContact O-OG1 2.85Å; R578-T582 VanDerWaalsContact O-OG1 3.04Å
579	L	94.8	Very high	94.8	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-56.1	-41.1	-174.8	-178	58.7	0	0	0	113.7	L118 V121 V412 I478 V568 L571 L575 G577 G583	L118-L579 HydrophobicContact CD1-CD2 3.92Å; V121-L579 HydrophobicContact CB-CD2 4.39Å; V121-L579 HydrophobicContact CG1-CD2 4.34Å; V121-L579 HydrophobicContact CG2-CD2 4.31Å; V412-L579 HydrophobicContact CG2-CD1 4.23Å; I478-L579 HydrophobicContact CD1-CD1 3.87Å; I478-L579 HydrophobicContact CG2-CD1 4.36Å; V568-L579 HydrophobicContact CG1-CD2 4.39Å; L571-L579 HydrophobicContact CD2-CD1 3.84Å; L571-L579 HydrophobicContact CD2-CD2 4.1Å; L571-L579 HydrophobicContact CG-CD1 4.25Å; L575-L579 HydrophobicContact CD1-CB 3.89Å; L575-L579 HydrophobicContact CD1-CD1 3.6Å; L575-L579 HydrophobicContact CD1-CG 4.32Å; G577-L579 PolarHBondContact O-N 2.75Å; L579-G583 PolarHBondContact O-N 3.26Å
580	G	93.7	Very high	95	Very high	11 Å²	11	27.8 Å²	27.8	11%	0.113	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-52.1	175.9	0	0	0	0	0	112.2	R578 T582 G583 R584	R578-G580 VanDerWaalsContact C-N 3.32Å; R578-G580 PolarHBondContact O-N 2.79Å; G580-T582 PolarHBondContact O-N 2.68Å; G580-G583 PolarHBondContact O-N 3.09Å; G580-R584 WeakPolarHBondContact O-CB 3.5Å; G580-R584 PolarHBondContact O-N 3.03Å
581	V	93.8	Very high	95.2	Very high	66 Å²	66	25.4 Å²	25.4	40%	0.4	15%	0.149	S	C	.	.	H	α-helix	trans	-62.4	-43.7	-179.1	-176.6	0	0	0	0	111.8	D114 P506 R578 R584 S585	D114-V581 VanDerWaalsContact OD2-CA 3.29Å; D114-V581 WeakPolarHBondContact OD2-CA 3.33Å; D114-V581 PolarHBondContact OD2-N 2.99Å; P506-V581 HydrophobicContact CB-CG1 4.36Å; R578-V581 PolarHBondContact O-N 3.38Å; R578-V581 VanDerWaalsContact O-N 3.16Å; V581-R584 PolarHBondContact O-N 2.88Å; V581-S585 WeakPolarHBondContact O-CB 3.48Å; V581-S585 PolarHBondContact O-N 3.13Å
582	T	95.6	Very high	95.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-40.5	178.5	-50.6	0	0	0	0	111.5	I478 D481 P506 F552 R578 G580 L586	I478-T582 HydrophobicContact CD1-CG2 4.22Å; I478-T582 HydrophobicContact CG1-CG2 4.17Å; I478-T582 HydrophobicContact CG2-CG2 3.79Å; D481-T582 HydrophobicContact CB-CG2 3.9Å; D481-T582 WeakPolarHBondContact CB-OG1 3.26Å; P506-T582 HydrophobicContact CB-CG2 4.3Å; P506-T582 HydrophobicContact CG-CG2 4.08Å; F552-T582 HydrophobicContact CB-CG2 4.24Å; F552-T582 HydrophobicContact CD2-CG2 4.1Å; F552-T582 HydrophobicContact CG-CG2 4.24Å; R578-T582 PolarHBondContact O-N 3.12Å; R578-T582 PolarHBondContact O-OG1 2.85Å; R578-T582 VanDerWaalsContact O-OG1 3.04Å; G580-T582 PolarHBondContact O-N 2.68Å; T582-L586 WeakPolarHBondContact O-CB 3.07Å; T582-L586 PolarHBondContact O-N 2.91Å
583	G	96	Very high	95.5	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-35.3	173.8	0	0	0	0	0	113.4	L579 G580 A587	L579-G583 PolarHBondContact O-N 3.26Å; G580-G583 PolarHBondContact O-N 3.09Å; G583-A587 WeakPolarHBondContact O-CB 3.43Å; G583-A587 PolarHBondContact O-N 2.84Å
584	R	95.4	Very high	95.8	Very high	69 Å²	69	18.4 Å²	18.4	26%	0.26	12%	0.117	S	C	.	.	H	α-helix	trans	-63	-50	172.9	-170.4	-146.5	-173.8	75.8	11	111.1	R109 L112 D114 G580 V581 L586 A587 E588	R109-R584 PolarHBondContact O-NH2 3.41Å; L112-R584 HydrophobicContact CB-CG 4.16Å; L112-R584 VanDerWaalsContact O-CZ 3.24Å; L112-R584 PolarHBondContact O-NH1 2.77Å; L112-R584 PolarHBondContact O-NH2 3.1Å; D114-R584 VanDerWaalsContact OD1-CD 3.28Å; D114-R584 WeakPolarHBondContact OD1-CD 3.39Å; D114-R584 WeakPolarHBondContact OD1-CG 3.38Å; D114-R584 IonicContact OD1-CZ 3.99Å; D114-R584 IonicContact OD1-NE 3.68Å; D114-R584 IonicContact OD1-NH1 3.88Å; D114-R584 PolarHBondContact OD1-NH1 3Å; G580-R584 WeakPolarHBondContact O-CB 3.5Å; G580-R584 PolarHBondContact O-N 3.03Å; V581-R584 PolarHBondContact O-N 2.88Å; R584-L586 PolarHBondContact O-N 2.96Å; R584-A587 PolarHBondContact O-N 2.9Å; R584-E588 WeakPolarHBondContact O-CB 3.42Å; R584-E588 PolarHBondContact O-N 2.88Å
585	S	96	Very high	96	Very high	7 Å²	7	17.4 Å²	17.4	5%	0.049	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-42.3	177.6	176	0	0	0	0	111.6	E504 V581 E588 L589	E504-S585 PolarHBondContact O-OG 2.87Å; V581-S585 WeakPolarHBondContact O-CB 3.48Å; V581-S585 PolarHBondContact O-N 3.13Å; S585-E588 PolarHBondContact O-N 3.14Å; S585-L589 WeakPolarHBondContact O-CB 3.47Å; S585-L589 PolarHBondContact O-N 3.07Å
586	L	97.1	Very high	96.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-71.5	-38.6	177.9	-170.5	59.4	0	0	0	113.1	I416 A477 I478 L484 L550 F552 T582 R584 E588 L589 V590	I416-L586 HydrophobicContact CD1-CB 4.43Å; I416-L586 HydrophobicContact CD1-CD2 3.99Å; I416-L586 HydrophobicContact CD1-CG 4.39Å; A477-L586 HydrophobicContact CB-CD2 3.37Å; A477-L586 VanDerWaalsContact O-CD2 3.23Å; A477-L586 WeakPolarHBondContact O-CD2 3.39Å; I478-L586 HydrophobicContact CG1-CD2 4.17Å; L484-L586 HydrophobicContact CD1-CD1 4.3Å; L550-L586 HydrophobicContact CB-CD1 3.98Å; F552-L586 HydrophobicContact CD2-CB 4.15Å; F552-L586 HydrophobicContact CD2-CD1 4.07Å; F552-L586 HydrophobicContact CD2-CD2 4.31Å; F552-L586 HydrophobicContact CD2-CG 4.42Å; F552-L586 HydrophobicContact CE2-CB 4.03Å; F552-L586 HydrophobicContact CE2-CD1 3.99Å; T582-L586 WeakPolarHBondContact O-CB 3.07Å; T582-L586 PolarHBondContact O-N 2.91Å; R584-L586 PolarHBondContact O-N 2.96Å; L586-E588 VanDerWaalsContact C-N 3.33Å; L586-L589 HydrophobicContact CD1-CD2 4.23Å; L586-L589 PolarHBondContact O-N 3.15Å; L586-V590 WeakPolarHBondContact O-CG2 3.41Å; L586-V590 PolarHBondContact O-N 3.27Å
587	A	97.5	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-41	171.7	0	0	0	0	0	111	L112 I416 L420 G583 R584 V590 G591	L112-A587 HydrophobicContact CD2-CB 3.89Å; I416-A587 HydrophobicContact CG2-CB 4.08Å; L420-A587 HydrophobicContact CD2-CB 4.23Å; L420-A587 WeakPolarHBondContact CD2-O 3.45Å; L420-A587 HydrophobicContact CG-CB 4.41Å; G583-A587 WeakPolarHBondContact O-CB 3.43Å; G583-A587 PolarHBondContact O-N 2.84Å; R584-A587 PolarHBondContact O-N 2.9Å; A587-V590 PolarHBondContact O-N 2.96Å; A587-G591 PolarHBondContact O-N 2.97Å
588	E	97.4	Very high	96.5	Very high	19 Å²	19	15 Å²	15	9%	0.089	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-46	173.2	-163.7	-172.5	128.2	0	0	111	M108 R109 L112 V503 R584 S585 L586 V590 G591 E592	M108-E588 HydrophobicContact CE-CG 4Å; R109-E588 HydrophobicContact CG-CG 4.25Å; R109-E588 IonicContact CZ-OE1 2.93Å; R109-E588 IonicContact NE-OE1 2.74Å; R109-E588 PolarHBondContact NE-OE1 3.39Å; R109-E588 IonicContact NE-OE2 2.65Å; R109-E588 IonicContact NH2-OE1 2.69Å; R109-E588 PolarHBondContact NH2-OE1 3.25Å; L112-E588 HydrophobicContact CD1-CB 3.83Å; L112-E588 HydrophobicContact CD1-CG 4.25Å; V503-E588 HydrophobicContact CG1-CB 4.14Å; V503-E588 HydrophobicContact CG1-CG 4.36Å; V503-E588 HydrophobicContact CG2-CB 4.45Å; V503-E588 HydrophobicContact CG2-CG 4.1Å; R584-E588 WeakPolarHBondContact O-CB 3.42Å; R584-E588 PolarHBondContact O-N 2.88Å; S585-E588 PolarHBondContact O-N 3.14Å; L586-E588 VanDerWaalsContact C-N 3.33Å; E588-V590 PolarHBondContact O-N 2.82Å; E588-G591 PolarHBondContact O-N 3.33Å; E588-E592 HydrophobicContact CG-CG 4.41Å; E588-E592 VanDerWaalsContact O-CB 3.27Å; E588-E592 WeakPolarHBondContact O-CB 3.45Å; E588-E592 WeakPolarHBondContact O-CG 3.31Å; E588-E592 PolarHBondContact O-N 2.87Å
589	L	98	Very high	96.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-43.5	178.4	-178.5	65.2	0	0	0	113.1	L484 A499 I500 V503 I513 L550 S585 L586 M593	L484-L589 HydrophobicContact CD1-CD2 4.18Å; L484-L589 HydrophobicContact CD2-CD2 3.52Å; A499-L589 HydrophobicContact CB-CD1 3.7Å; I500-L589 HydrophobicContact CG2-CD1 3.76Å; I500-L589 HydrophobicContact CG2-CD2 4.28Å; V503-L589 HydrophobicContact CG1-CB 4.49Å; V503-L589 HydrophobicContact CG2-CB 4.28Å; V503-L589 HydrophobicContact CG2-CD1 4.24Å; I513-L589 HydrophobicContact CD1-CD1 4.42Å; I513-L589 HydrophobicContact CD1-CD2 4.07Å; L550-L589 HydrophobicContact CD2-CD2 4.22Å; S585-L589 WeakPolarHBondContact O-CB 3.47Å; S585-L589 PolarHBondContact O-N 3.07Å; L586-L589 HydrophobicContact CD1-CD2 4.23Å; L586-L589 PolarHBondContact O-N 3.15Å; L589-M593 HydrophobicContact CG-CE 4.14Å; L589-M593 WeakPolarHBondContact O-CE 3.39Å; L589-M593 PolarHBondContact O-N 3.33Å
590	V	98.4	Very high	96.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.9	-47.2	174.4	173.9	0	0	0	0	110.4	L396 L420 L474 L550 L586 A587 E588 E592 M593 V594	L396-V590 HydrophobicContact CD2-CG1 3.43Å; L396-V590 VanDerWaalsContact CD2-CG1 3.43Å; L420-V590 HydrophobicContact CD1-CB 4.15Å; L420-V590 HydrophobicContact CD1-CG1 3.73Å; L474-V590 HydrophobicContact CD2-CG1 4.24Å; L474-V590 HydrophobicContact CD2-CG2 3.88Å; L550-V590 HydrophobicContact CD1-CG2 3.63Å; L586-V590 WeakPolarHBondContact O-CG2 3.41Å; L586-V590 PolarHBondContact O-N 3.27Å; A587-V590 PolarHBondContact O-N 2.96Å; E588-V590 PolarHBondContact O-N 2.82Å; V590-E592 VanDerWaalsContact C-N 3.3Å; V590-E592 PolarHBondContact O-N 2.82Å; V590-M593 PolarHBondContact O-N 3.43Å; V590-M593 VanDerWaalsContact O-N 3.16Å; V590-V594 HydrophobicContact CG1-CG2 4.03Å; V590-V594 WeakPolarHBondContact O-CB 3.44Å; V590-V594 VanDerWaalsContact O-CG2 3.25Å; V590-V594 WeakPolarHBondContact O-CG2 3.45Å; V590-V594 PolarHBondContact O-N 2.93Å
591	G	97.9	Very high	96.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.1	-36.4	179.4	0	0	0	0	0	113.3	M108 A587 E588 V594 L595	M108-G591 VanDerWaalsContact SD-C 3.55Å; M108-G591 VanDerWaalsContact SD-CA 3.56Å; A587-G591 PolarHBondContact O-N 2.97Å; E588-G591 PolarHBondContact O-N 3.33Å; G591-V594 PolarHBondContact O-N 3.15Å; G591-L595 VanDerWaalsContact O-CB 3.22Å; G591-L595 WeakPolarHBondContact O-CB 3.21Å; G591-L595 VanDerWaalsContact O-CG 3.3Å; G591-L595 WeakPolarHBondContact O-CG 3.34Å; G591-L595 PolarHBondContact O-N 2.89Å
592	E	97.6	Very high	96.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-61.4	-44.3	173.5	-84.4	-69.9	150.4	0	0	112.6	R105 M108 A499 V503 E588 V590 R596	R105-E592 VanDerWaalsContact CG-OE1 3.29Å; R105-E592 WeakPolarHBondContact CG-OE1 3.49Å; R105-E592 IonicContact CZ-OE1 3.25Å; R105-E592 IonicContact CZ-OE2 3.14Å; R105-E592 IonicContact NE-OE1 3.73Å; R105-E592 PolarHBondContact NE-OE1 3.41Å; R105-E592 IonicContact NE-OE2 2.67Å; R105-E592 PolarHBondContact NE-OE2 2.92Å; R105-E592 VanDerWaalsContact NH2-CD 3.32Å; R105-E592 IonicContact NH2-OE1 2.77Å; R105-E592 PolarHBondContact NH2-OE1 3.49Å; R105-E592 IonicContact NH2-OE2 3.24Å; R105-E592 PolarHBondContact NH2-OE2 2.94Å; M108-E592 HydrophobicContact CE-CG 3.97Å; A499-E592 HydrophobicContact CB-CB 4.09Å; V503-E592 HydrophobicContact CG2-CG 3.77Å; E588-E592 HydrophobicContact CG-CG 4.41Å; E588-E592 VanDerWaalsContact O-CB 3.27Å; E588-E592 WeakPolarHBondContact O-CB 3.45Å; E588-E592 WeakPolarHBondContact O-CG 3.31Å; E588-E592 PolarHBondContact O-N 2.87Å; V590-E592 VanDerWaalsContact C-N 3.3Å; V590-E592 PolarHBondContact O-N 2.82Å; E592-R596 WeakPolarHBondContact O-CG 3.28Å; E592-R596 PolarHBondContact O-N 2.95Å
593	M	98.3	Very high	96.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-71.8	-41.9	177.4	-69	-168.9	-77.4	0	0	111.7	F472 L495 L496 A499 M548 L550 L589 V590 L597	F472-M593 HydrophobicContact CE1-CB 4.08Å; F472-M593 HydrophobicContact CE1-CE 4.04Å; F472-M593 HydrophobicContact CE1-SD 4.23Å; F472-M593 HydrophobicContact CZ-CB 3.96Å; L495-M593 HydrophobicContact CD1-CB 4.1Å; L495-M593 HydrophobicContact CD1-CG 4.22Å; L495-M593 HydrophobicContact CD2-CB 3.97Å; L495-M593 HydrophobicContact CD2-CG 4.44Å; L495-M593 HydrophobicContact CG-CB 3.78Å; L495-M593 HydrophobicContact CG-CG 3.78Å; L495-M593 HydrophobicContact CG-SD 4.17Å; L496-M593 HydrophobicContact CB-SD 4.11Å; L496-M593 HydrophobicContact CD1-CE 4.05Å; L496-M593 HydrophobicContact CD1-SD 3.92Å; A499-M593 HydrophobicContact CB-CG 3.56Å; A499-M593 HydrophobicContact CB-SD 4.38Å; M548-M593 HydrophobicContact CE-SD 4.23Å; M548-M593 HydrophobicContact SD-CE 3.71Å; M548-M593 HydrophobicContact SD-SD 3.89Å; L550-M593 HydrophobicContact CD1-CE 3.53Å; L550-M593 HydrophobicContact CD2-CE 4.27Å; L589-M593 HydrophobicContact CG-CE 4.14Å; L589-M593 WeakPolarHBondContact O-CE 3.39Å; L589-M593 PolarHBondContact O-N 3.33Å; V590-M593 PolarHBondContact O-N 3.43Å; V590-M593 VanDerWaalsContact O-N 3.16Å; M593-L597 WeakPolarHBondContact O-CG 3.35Å; M593-L597 PolarHBondContact O-N 3.24Å
594	V	98.3	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-45.8	176.1	170.7	0	0	0	0	110.8	V394 L396 F424 L438 F472 V590 G591 R596 L597 V598	V394-V594 HydrophobicContact CG1-CG1 4.28Å; V394-V594 HydrophobicContact CG1-CG2 4.2Å; L396-V594 HydrophobicContact CD1-CG1 4.41Å; L396-V594 HydrophobicContact CD1-CG2 4.13Å; L396-V594 HydrophobicContact CD2-CG2 4.04Å; L396-V594 HydrophobicContact CG-CG2 4.31Å; F424-V594 HydrophobicContact CE1-CG1 4.2Å; F424-V594 HydrophobicContact CE2-CB 4.34Å; F424-V594 HydrophobicContact CE2-CG1 3.85Å; F424-V594 HydrophobicContact CZ-CB 3.99Å; F424-V594 HydrophobicContact CZ-CG1 3.51Å; L438-V594 HydrophobicContact CD2-CG1 3.35Å; F472-V594 HydrophobicContact CD2-CG2 3.97Å; F472-V594 HydrophobicContact CE2-CG2 3.87Å; V590-V594 HydrophobicContact CG1-CG2 4.03Å; V590-V594 WeakPolarHBondContact O-CB 3.44Å; V590-V594 VanDerWaalsContact O-CG2 3.25Å; V590-V594 WeakPolarHBondContact O-CG2 3.45Å; V590-V594 PolarHBondContact O-N 2.93Å; G591-V594 PolarHBondContact O-N 3.15Å; V594-R596 PolarHBondContact O-N 3.28Å; V594-L597 CarbonylContact O-C 3.59Å; V594-L597 WeakPolarHBondContact O-CA 3.41Å; V594-L597 WeakPolarHBondContact O-CB 3.49Å; V594-L597 PolarHBondContact O-N 3.02Å; V594-V598 WeakPolarHBondContact O-CG2 3.19Å; V594-V598 PolarHBondContact O-N 3.04Å
595	L	97.4	Very high	96.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-54.4	-49.8	178.7	-89.1	172.9	0	0	0	111.5	L101 L104 R105 M108 F424 M427 F432 G591 L597 V598 H599	L101-L595 HydrophobicContact CD1-CB 4.13Å; L104-L595 HydrophobicContact CB-CD2 4.11Å; L104-L595 HydrophobicContact CD1-CD2 4.46Å; R105-L595 HydrophobicContact CG-CD1 4.05Å; M108-L595 HydrophobicContact CB-CD1 4.27Å; M108-L595 HydrophobicContact CE-CD1 3.85Å; M108-L595 HydrophobicContact SD-CD1 3.62Å; M108-L595 HydrophobicContact SD-CG 4.28Å; F424-L595 HydrophobicContact CE1-CD2 3.79Å; F424-L595 HydrophobicContact CE1-CG 3.94Å; F424-L595 HydrophobicContact CZ-CD2 4.46Å; F424-L595 HydrophobicContact CZ-CG 4.1Å; M427-L595 HydrophobicContact CE-CD1 4.44Å; M427-L595 HydrophobicContact CE-CD2 3.88Å; F432-L595 HydrophobicContact CE1-CD2 4.41Å; F432-L595 HydrophobicContact CZ-CD2 4.19Å; G591-L595 VanDerWaalsContact O-CB 3.22Å; G591-L595 WeakPolarHBondContact O-CB 3.21Å; G591-L595 VanDerWaalsContact O-CG 3.3Å; G591-L595 WeakPolarHBondContact O-CG 3.34Å; G591-L595 PolarHBondContact O-N 2.89Å; L595-L597 PolarHBondContact O-N 2.84Å; L595-V598 CarbonylContact O-C 3.58Å; L595-V598 PolarHBondContact O-N 2.88Å; L595-V598 VanDerWaalsContact O-N 3.15Å; L595-H599 WeakPolarHBondContact O-CB 3.44Å; L595-H599 PolarHBondContact O-N 2.99Å
596	R	96.5	Very high	96.2	Very high	49 Å²	49	17.2 Å²	17.2	19%	0.185	8%	0.08	C	C	.	.	H	α-helix	trans	-56.7	-47.9	175	-69.2	162.9	177.7	-97.1	9.9	111.5	L101 L495 A498 E592 V594 V598 H599 D600 P604	L101-R596 HydrophobicContact CD2-CG 4.13Å; L495-R596 HydrophobicContact CD1-CB 3.83Å; L495-R596 HydrophobicContact CD1-CG 4.35Å; A498-R596 PolarHBondContact O-NH2 3.48Å; E592-R596 WeakPolarHBondContact O-CG 3.28Å; E592-R596 PolarHBondContact O-N 2.95Å; V594-R596 PolarHBondContact O-N 3.28Å; R596-V598 VanDerWaalsContact C-N 3.27Å; R596-V598 PolarHBondContact O-N 3.32Å; R596-H599 PolarHBondContact O-N 3.42Å; R596-D600 WeakPolarHBondContact CB-OD2 3.42Å; R596-D600 VanDerWaalsContact O-CB 3.28Å; R596-D600 WeakPolarHBondContact O-CB 3.34Å; R596-D600 PolarHBondContact O-N 2.79Å; R596-P604 HydrophobicContact CB-CG 4.31Å
597	L	97.5	Very high	96	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-24.6	178	-69.7	168.2	0	0	0	114.3	V394 R436 V469 A470 F472 L495 M593 V594 L595 L603 P604 L605	V394-L597 HydrophobicContact CG1-CD1 4.17Å; V394-L597 HydrophobicContact CG2-CB 3.71Å; V394-L597 HydrophobicContact CG2-CD1 4.41Å; R436-L597 WeakPolarHBondContact CD-O 3.44Å; R436-L597 PolarHBondContact NH1-O 2.65Å; V469-L597 HydrophobicContact CG1-CD2 3.97Å; A470-L597 HydrophobicContact CB-CD1 3.92Å; F472-L597 HydrophobicContact CE2-CD1 3.57Å; F472-L597 HydrophobicContact CZ-CD1 3.67Å; L495-L597 HydrophobicContact CD2-CD1 3.51Å; L495-L597 HydrophobicContact CD2-CD2 3.99Å; L495-L597 HydrophobicContact CD2-CG 3.62Å; M593-L597 WeakPolarHBondContact O-CG 3.35Å; M593-L597 PolarHBondContact O-N 3.24Å; V594-L597 CarbonylContact O-C 3.59Å; V594-L597 WeakPolarHBondContact O-CA 3.41Å; V594-L597 WeakPolarHBondContact O-CB 3.49Å; V594-L597 PolarHBondContact O-N 3.02Å; L595-L597 PolarHBondContact O-N 2.84Å; L597-L603 HydrophobicContact CD2-CD2 4.07Å; L597-P604 HydrophobicContact CD2-CG 4.28Å; L597-L605 HydrophobicContact CD2-CD2 4.42Å
598	V	96.8	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-107.7	-1.7	177.5	-57.9	0	0	0	0	115.1	V394 F432 P434 R435 R436 L438 V594 L595 R596	V394-V598 HydrophobicContact CB-CG1 4.05Å; V394-V598 HydrophobicContact CG2-CG1 3.7Å; F432-V598 HydrophobicContact CE1-CG2 4.27Å; F432-V598 HydrophobicContact CZ-CG2 3.76Å; P434-V598 HydrophobicContact CB-CB 4.18Å; P434-V598 HydrophobicContact CB-CG2 4.36Å; R435-V598 WeakPolarHBondContact CB-O 3.36Å; R435-V598 PolarHBondContact N-O 2.93Å; R436-V598 HydrophobicContact CB-CG1 4.26Å; R436-V598 WeakPolarHBondContact O-CG1 3.48Å; L438-V598 HydrophobicContact CD2-CG1 3.63Å; L438-V598 HydrophobicContact CD2-CG2 4.45Å; L438-V598 HydrophobicContact CG-CG1 4.1Å; V594-V598 WeakPolarHBondContact O-CG2 3.19Å; V594-V598 PolarHBondContact O-N 3.04Å; L595-V598 CarbonylContact O-C 3.58Å; L595-V598 PolarHBondContact O-N 2.88Å; L595-V598 VanDerWaalsContact O-N 3.15Å; R596-V598 VanDerWaalsContact C-N 3.27Å; R596-V598 PolarHBondContact O-N 3.32Å
599	H	94.8	Very high	95.2	Very high	30 Å²	30	18.5 Å²	18.5	14%	0.139	9%	0.089	C	C	.	.	H	α-helix	trans	-106.1	-49.7	173.1	169.9	-85.3	0	0	0	111	L101 L595 R596	L101-H599 HydrophobicContact CD1-CB 4.18Å; L101-H599 PolarHBondContact N-NE2 2.92Å; L595-H599 WeakPolarHBondContact O-CB 3.44Å; L595-H599 PolarHBondContact O-N 2.99Å; R596-H599 PolarHBondContact O-N 3.42Å
600	D	93.3	Very high	94.8	Very high	36 Å²	36	18.5 Å²	18.5	19%	0.193	9%	0.089	C	C	.	.			trans	-70.9	138.4	-164.1	-62	-22.6	0	0	0	112.5	R436 R596 I602	R436-D600 PolarHBondContact NH1-O 2.86Å; R436-D600 PolarHBondContact NH2-O 2.72Å; R596-D600 WeakPolarHBondContact CB-OD2 3.42Å; R596-D600 VanDerWaalsContact O-CB 3.28Å; R596-D600 WeakPolarHBondContact O-CB 3.34Å; R596-D600 PolarHBondContact O-N 2.79Å; D600-I602 VanDerWaalsContact C-N 3.33Å; D600-I602 PolarHBondContact O-N 3.17Å
601	H	92.7	Very high	94.2	Very high	53 Å²	53	18.8 Å²	18.8	25%	0.245	9%	0.091	C	C	.	.	S	Bend	trans	-61.7	-41.4	-176.2	-74.5	66.9	0	0	0	111.8	R435 R436 L661 N671	R435-H601 PolarHBondContact NH2-CD2 3.09Å; R435-H601 PolarHBondContact NH2-NE2 2.99Å; R436-H601 PolarHBondContact NH2-O 3.26Å; H601-L661 PolarHBondContact CD2-O 2.75Å; H601-L661 VanDerWaalsContact CD2-O 3.22Å; H601-N671 PolarHBondContact O-ND2 2.94Å
602	I	94.8	Very high	93.5	Very high	29 Å²	29	24 Å²	24	15%	0.149	12%	0.116	C	C	.	.	S	Bend	trans	-105.1	140	171.2	-68.4	-64.9	0	0	0	109.8	D600 P604 I656 L661 A667 Y670 N671 I674	D600-I602 VanDerWaalsContact C-N 3.33Å; D600-I602 PolarHBondContact O-N 3.17Å; I602-P604 WeakPolarHBondContact O-CD 3.22Å; I602-I656 HydrophobicContact CD1-CG2 4.47Å; I602-I656 HydrophobicContact CG1-CG2 4.04Å; I602-I656 HydrophobicContact CG2-CD1 4.49Å; I602-I656 HydrophobicContact CG2-CG2 4.22Å; I602-L661 HydrophobicContact CD1-CD2 4.11Å; I602-L661 HydrophobicContact CG1-CD1 3.8Å; I602-L661 HydrophobicContact CG1-CD2 3.82Å; I602-L661 HydrophobicContact CG1-CG 4.29Å; I602-A667 HydrophobicContact CD1-CB 4.31Å; I602-Y670 HydrophobicContact CD1-CD2 4.28Å; I602-N671 WeakPolarHBondContact CA-OD1 3.38Å; I602-I674 HydrophobicContact CG2-CD1 3.93Å
603	L	95.1	Very high	92.8	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.126	C	C	.	.			trans	-65	121.4	174.8	-69.5	174.4	0	0	0	111.5	V469 L597 L605 N671 I674 M675	V469-L603 HydrophobicContact CG1-CD1 3.99Å; V469-L603 HydrophobicContact CG1-CD2 3.37Å; V469-L603 HydrophobicContact CG1-CG 4.31Å; V469-L603 HydrophobicContact CG2-CD2 4.45Å; L597-L603 HydrophobicContact CD2-CD2 4.07Å; L603-L605 HydrophobicContact CB-CD1 4.34Å; L603-L605 HydrophobicContact CB-CG 4.26Å; L603-L605 HydrophobicContact CD1-CD1 4.49Å; L603-L605 PolarHBondContact O-N 3.48Å; L603-N671 HydrophobicContact CD1-CB 4.04Å; L603-N671 HydrophobicContact CG-CB 4.29Å; L603-N671 WeakPolarHBondContact CG-OD1 3.42Å; L603-N671 PolarHBondContact N-OD1 3.38Å; L603-I674 HydrophobicContact CB-CD1 4.41Å; L603-I674 HydrophobicContact CB-CG2 4.23Å; L603-M675 HydrophobicContact CD1-CG 3.53Å; L603-M675 HydrophobicContact CD1-SD 4.06Å
604	P	94.7	Very high	92.3	Very high	38 Å²	38	25.7 Å²	25.7	25%	0.247	13%	0.126	C	C	.	.			trans	-76.1	59.7	178.8	33.1	-39	0	0	0	112.6	L495 R596 L597 I602	L495-P604 HydrophobicContact CD1-CG 3.94Å; R596-P604 HydrophobicContact CB-CG 4.31Å; L597-P604 HydrophobicContact CD2-CG 4.28Å; I602-P604 WeakPolarHBondContact O-CD 3.22Å
605	L	94.6	Very high	91.8	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.047	15%	0.148	C	C	.	.			trans	-113.4	120.4	-179.3	-62	-179	0	0	0	110.5	L491 L492 P546 L597 L603 I607 I674	L491-L605 HydrophobicContact CB-CB 4.33Å; L491-L605 CarbonylContact O-C 3.57Å; L491-L605 WeakPolarHBondContact O-CA 3.16Å; L492-L605 HydrophobicContact CD2-CD2 3.39Å; L492-L605 HydrophobicContact CG-CD2 4.02Å; P546-L605 HydrophobicContact CG-CD1 4.32Å; L597-L605 HydrophobicContact CD2-CD2 4.42Å; L603-L605 HydrophobicContact CB-CD1 4.34Å; L603-L605 HydrophobicContact CB-CG 4.26Å; L603-L605 HydrophobicContact CD1-CD1 4.49Å; L603-L605 PolarHBondContact O-N 3.48Å; L605-I607 PolarHBondContact O-N 3.22Å; L605-I674 HydrophobicContact CB-CG2 3.69Å; L605-I674 HydrophobicContact CD1-CG2 3.88Å; L605-I674 HydrophobicContact CG-CG2 4.25Å
606	R	92.1	Very high	91.2	Very high	93 Å²	93	36.7 Å²	36.7	35%	0.351	18%	0.18	S	C	.	.			trans	-77.4	82.5	-174.4	-172.8	-173.6	-88	170.5	10.3	111.8	L491 D494 T608 S609	L491-R606 VanDerWaalsContact CD2-O 3.28Å; L491-R606 WeakPolarHBondContact CD2-O 3.49Å; L491-R606 PolarHBondContact O-N 3.07Å; D494-R606 WeakPolarHBondContact OD1-CD 3.48Å; D494-R606 IonicContact OD1-CZ 3.54Å; D494-R606 IonicContact OD1-NE 3.8Å; D494-R606 PolarHBondContact OD1-NE 2.95Å; D494-R606 IonicContact OD1-NH1 3.26Å; D494-R606 PolarHBondContact OD1-NH1 3.49Å; D494-R606 IonicContact OD1-NH2 2.68Å; D494-R606 PolarHBondContact OD1-NH2 3.49Å; D494-R606 IonicContact OD2-CZ 2.67Å; D494-R606 IonicContact OD2-NE 3.24Å; D494-R606 PolarHBondContact OD2-NE 2.99Å; D494-R606 IonicContact OD2-NH2 3.62Å; D494-R606 PolarHBondContact OD2-NH2 2.93Å; R606-T608 VanDerWaalsContact CG-OG1 3.29Å; R606-T608 WeakPolarHBondContact CG-OG1 3.39Å; R606-T608 PolarHBondContact O-N 3.39Å; R606-S609 WeakPolarHBondContact CB-OG 3.34Å; R606-S609 WeakPolarHBondContact CD-OG 2.99Å; R606-S609 WeakPolarHBondContact CG-OG 3.31Å; R606-S609 WeakPolarHBondContact O-CB 3.46Å; R606-S609 PolarHBondContact O-N 2.65Å; R606-S609 PolarHBondContact O-OG 2.85Å
607	I	92.1	Very high	90.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.5	177.4	61.9	175.1	0	0	0	114.2	L605 Y645 A649 L652 I674 V677	L605-I607 PolarHBondContact O-N 3.22Å; I607-Y645 PolarHBondContact O-OH 3.39Å; I607-A649 HydrophobicContact CD1-CB 4.37Å; I607-A649 HydrophobicContact CG1-CB 4.24Å; I607-L652 HydrophobicContact CD1-CB 3.91Å; I607-L652 HydrophobicContact CD1-CD2 3.69Å; I607-L652 HydrophobicContact CD1-CG 3.8Å; I607-I674 HydrophobicContact CG2-CB 4.36Å; I607-I674 HydrophobicContact CG2-CG1 4.15Å; I607-I674 HydrophobicContact CG2-CG2 3.97Å; I607-V677 HydrophobicContact CB-CG2 4.33Å; I607-V677 HydrophobicContact CG2-CG2 3.86Å
608	T	91.4	Very high	90.3	Very high	39 Å²	39	34.7 Å²	34.7	24%	0.239	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.8	178.2	53	0	0	0	0	113.8	R606 Y610 A611 A649	R606-T608 VanDerWaalsContact CG-OG1 3.29Å; R606-T608 WeakPolarHBondContact CG-OG1 3.39Å; R606-T608 PolarHBondContact O-N 3.39Å; T608-Y610 VanDerWaalsContact C-N 3.28Å; T608-Y610 PolarHBondContact O-N 2.82Å; T608-A611 WeakPolarHBondContact O-CB 3.28Å; T608-A611 PolarHBondContact O-N 2.83Å; T608-A611 VanDerWaalsContact O-N 3.09Å; T608-A649 HydrophobicContact CG2-CB 3.94Å
609	S	87.8	Confident	90	Very high	8 Å²	8	37.6 Å²	37.6	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-54.6	-42.2	-178.5	-67.8	0	0	0	0	112.6	P490 R606 A611 Q612 T613	P490-S609 WeakPolarHBondContact O-CB 3.46Å; P490-S609 PolarHBondContact O-OG 3.33Å; R606-S609 WeakPolarHBondContact CB-OG 3.34Å; R606-S609 WeakPolarHBondContact CD-OG 2.99Å; R606-S609 WeakPolarHBondContact CG-OG 3.31Å; R606-S609 WeakPolarHBondContact O-CB 3.46Å; R606-S609 PolarHBondContact O-N 2.65Å; R606-S609 PolarHBondContact O-OG 2.85Å; S609-A611 VanDerWaalsContact C-N 3.26Å; S609-A611 PolarHBondContact O-N 3.1Å; S609-Q612 WeakPolarHBondContact O-CA 3.34Å; S609-Q612 VanDerWaalsContact O-CB 3.28Å; S609-Q612 WeakPolarHBondContact O-CB 3.39Å; S609-Q612 PolarHBondContact O-N 2.73Å; S609-T613 PolarHBondContact O-N 2.75Å; S609-T613 VanDerWaalsContact O-N 3.12Å; S609-T613 PolarHBondContact O-OG1 2.62Å
610	Y	88.5	Confident	89.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-27.4	-178	-84.1	-52.4	0	0	0	113.9	P490 L491 T608 Q612 T613 V614 V677 E678 F681 H695 I697	P490-Y610 HydrophobicContact CB-CE1 4.37Å; P490-Y610 HydrophobicContact CG-CD1 4.29Å; P490-Y610 HydrophobicContact CG-CE1 3.78Å; L491-Y610 HydrophobicContact CD1-CE2 4.44Å; L491-Y610 HydrophobicContact CD2-CD2 3.91Å; L491-Y610 HydrophobicContact CD2-CE2 4.09Å; L491-Y610 HydrophobicContact CG-CD2 4.33Å; L491-Y610 HydrophobicContact CG-CE2 3.98Å; T608-Y610 VanDerWaalsContact C-N 3.28Å; T608-Y610 PolarHBondContact O-N 2.82Å; Y610-Q612 PolarHBondContact O-N 3.22Å; Y610-T613 PolarHBondContact O-N 3.42Å; Y610-V614 WeakPolarHBondContact O-CG2 3.48Å; Y610-V614 PolarHBondContact O-N 2.82Å; Y610-V677 HydrophobicContact CD2-CG1 4.11Å; Y610-E678 WeakPolarHBondContact CE2-OE1 3.08Å; Y610-E678 PolarHBondContact OH-OE1 2.83Å; Y610-F681 HydrophobicContact CD1-CE2 4.39Å; Y610-F681 HydrophobicContact CD1-CZ 4.35Å; Y610-F681 AromaticContact CD2-CD2 3.65Å; Y610-F681 HydrophobicContact CD2-CD2 3.65Å; Y610-F681 AromaticContact CD2-CE2 3.33Å; Y610-F681 HydrophobicContact CD2-CE2 3.33Å; Y610-F681 AromaticContact CD2-CZ 3.99Å; Y610-F681 HydrophobicContact CD2-CZ 3.99Å; Y610-F681 AromaticContact CE2-CD2 3.76Å; Y610-F681 HydrophobicContact CE2-CD2 3.76Å; Y610-F681 AromaticContact CE2-CE2 3.97Å; Y610-F681 HydrophobicContact CE2-CE2 3.97Å; Y610-F681 HydrophobicContact CE2-CG 4.48Å; Y610-F681 HydrophobicContact CG-CD2 4.13Å; Y610-F681 HydrophobicContact CG-CE1 4.36Å; Y610-F681 AromaticContact CG-CE2 3.59Å; Y610-F681 HydrophobicContact CG-CE2 3.59Å; Y610-F681 AromaticContact CG-CZ 3.73Å; Y610-F681 HydrophobicContact CG-CZ 3.73Å; Y610-H695 AromaticContact CZ-CE1 3.93Å; Y610-H695 PolarHBondContact OH-CE1 3.14Å; Y610-H695 PolarHBondContact OH-NE2 3.08Å; Y610-I697 HydrophobicContact CD1-CD1 3.59Å; Y610-I697 HydrophobicContact CD1-CG1 4.36Å; Y610-I697 HydrophobicContact CE1-CB 4.25Å; Y610-I697 HydrophobicContact CE1-CD1 3.7Å; Y610-I697 HydrophobicContact CE1-CG1 4.07Å; Y610-I697 HydrophobicContact CE1-CG2 4.49Å
611	A	86.4	Confident	89.4	Confident	5 Å²	5	38.3 Å²	38.3	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-67	-24.7	172.6	0	0	0	0	0	112.8	T608 S609 R642 Y645	T608-A611 WeakPolarHBondContact O-CB 3.28Å; T608-A611 PolarHBondContact O-N 2.83Å; T608-A611 VanDerWaalsContact O-N 3.09Å; S609-A611 VanDerWaalsContact C-N 3.26Å; S609-A611 PolarHBondContact O-N 3.1Å; A611-R642 PolarHBondContact O-NE 3.35Å; A611-R642 PolarHBondContact O-NH2 2.71Å; A611-Y645 HydrophobicContact CB-CD1 3.96Å; A611-Y645 HydrophobicContact CB-CE1 4.26Å
612	Q	83.5	Confident	89.3	Confident	111 Å²	111	39.7 Å²	39.7	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-83.3	-40.4	176.1	-52.6	-179.5	-4.2	0	0	111	S609 Y610 V614 L615	S609-Q612 WeakPolarHBondContact O-CA 3.34Å; S609-Q612 VanDerWaalsContact O-CB 3.28Å; S609-Q612 WeakPolarHBondContact O-CB 3.39Å; S609-Q612 PolarHBondContact O-N 2.73Å; Y610-Q612 PolarHBondContact O-N 3.22Å; Q612-V614 VanDerWaalsContact C-N 3.32Å; Q612-V614 PolarHBondContact O-N 2.84Å; Q612-L615 VanDerWaalsContact O-CB 3.24Å; Q612-L615 WeakPolarHBondContact O-CB 3.21Å; Q612-L615 PolarHBondContact O-N 3.31Å; Q612-L615 VanDerWaalsContact O-N 3.07Å
613	T	83.1	Confident	89.2	Confident	36 Å²	36	46.4 Å²	46.4	22%	0.221	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-43.2	175.5	-40.9	0	0	0	0	111.7	S609 Y610 L615 I697 L705	S609-T613 PolarHBondContact O-N 2.75Å; S609-T613 VanDerWaalsContact O-N 3.12Å; S609-T613 PolarHBondContact O-OG1 2.62Å; Y610-T613 PolarHBondContact O-N 3.42Å; T613-L615 VanDerWaalsContact C-N 3.29Å; T613-L615 PolarHBondContact O-N 3.16Å; T613-I697 HydrophobicContact CG2-CD1 3.6Å; T613-I697 HydrophobicContact CG2-CG2 4.07Å; T613-L705 HydrophobicContact CG2-CD2 4.22Å
614	V	86.6	Confident	88.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-76.3	-12.8	178.4	-171.1	0	0	0	0	113	Y610 Q612 Q616 S618 R642 I697 F734 L738	Y610-V614 WeakPolarHBondContact O-CG2 3.48Å; Y610-V614 PolarHBondContact O-N 2.82Å; Q612-V614 VanDerWaalsContact C-N 3.32Å; Q612-V614 PolarHBondContact O-N 2.84Å; V614-Q616 VanDerWaalsContact C-N 3.34Å; V614-Q616 PolarHBondContact O-N 3.31Å; V614-S618 WeakPolarHBondContact O-CB 3.37Å; V614-S618 PolarHBondContact O-N 3.33Å; V614-S618 PolarHBondContact O-OG 3.15Å; V614-R642 HydrophobicContact CB-CG 4.37Å; V614-R642 HydrophobicContact CG1-CB 4.33Å; V614-R642 HydrophobicContact CG1-CG 4.3Å; V614-I697 HydrophobicContact CG2-CD1 4.35Å; V614-F734 HydrophobicContact CG1-CE1 4.02Å; V614-F734 HydrophobicContact CG2-CE1 4.23Å; V614-F734 HydrophobicContact CG2-CZ 4.04Å; V614-L738 HydrophobicContact CG1-CD2 3.94Å; V614-L738 HydrophobicContact CG2-CD1 4.46Å; V614-L738 HydrophobicContact CG2-CD2 4.46Å
615	L	88.6	Confident	88.6	Confident	87 Å²	87	47.5 Å²	47.5	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-39.5	175.1	177.6	57.7	0	0	0	111.8	Q612 T613 L617 S618 A619	Q612-L615 VanDerWaalsContact O-CB 3.24Å; Q612-L615 WeakPolarHBondContact O-CB 3.21Å; Q612-L615 PolarHBondContact O-N 3.31Å; Q612-L615 VanDerWaalsContact O-N 3.07Å; T613-L615 VanDerWaalsContact C-N 3.29Å; T613-L615 PolarHBondContact O-N 3.16Å; L615-L617 PolarHBondContact O-N 2.69Å; L615-S618 WeakPolarHBondContact O-CB 3.48Å; L615-S618 PolarHBondContact O-N 3.07Å; L615-S618 VanDerWaalsContact O-N 3.12Å; L615-A619 PolarHBondContact O-N 3.14Å
616	Q	84.8	Confident	88.3	Confident	143 Å²	143	50.4 Å²	50.4	67%	0.668	27%	0.268	S	S	*	.	H	α-helix	trans	-61.9	-46.4	-179.5	-62.9	-175.3	-0.6	0	0	111.4	V614 S618 A619 Q620	V614-Q616 VanDerWaalsContact C-N 3.34Å; V614-Q616 PolarHBondContact O-N 3.31Å; Q616-S618 VanDerWaalsContact C-N 3.32Å; Q616-S618 PolarHBondContact O-N 3.3Å; Q616-A619 PolarHBondContact O-N 2.74Å; Q616-Q620 WeakPolarHBondContact O-CG 3.44Å; Q616-Q620 PolarHBondContact O-N 3.43Å; Q616-Q620 VanDerWaalsContact O-N 3.1Å
617	L	86.8	Confident	88.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-42	172.2	174.3	61.2	0	0	0	111.9	L615 A619 Q620 L621 L638 L705 L708 F734	L615-L617 PolarHBondContact O-N 2.69Å; L617-A619 VanDerWaalsContact C-N 3.27Å; L617-A619 PolarHBondContact O-N 2.97Å; L617-Q620 PolarHBondContact O-N 3.44Å; L617-Q620 VanDerWaalsContact O-N 3.17Å; L617-L621 HydrophobicContact CD1-CD1 3.77Å; L617-L621 HydrophobicContact CD1-CG 3.86Å; L617-L621 HydrophobicContact CD2-CD1 4.27Å; L617-L621 HydrophobicContact CG-CD1 3.76Å; L617-L621 HydrophobicContact CG-CG 4.3Å; L617-L621 WeakPolarHBondContact O-CG 3.47Å; L617-L621 PolarHBondContact O-N 2.75Å; L617-L638 HydrophobicContact CD2-CD2 3.76Å; L617-L638 HydrophobicContact CG-CD2 4.14Å; L617-L705 HydrophobicContact CB-CD1 3.73Å; L617-L705 HydrophobicContact CD1-CD1 4.39Å; L617-L705 HydrophobicContact CD2-CD1 3.67Å; L617-L705 HydrophobicContact CG-CD1 4.11Å; L617-L708 HydrophobicContact CD1-CD2 3.41Å; L617-L708 VanDerWaalsContact CD1-CD2 3.41Å; L617-L708 HydrophobicContact CD2-CD2 3.94Å; L617-L708 HydrophobicContact CG-CD2 4.29Å; L617-F734 HydrophobicContact CD2-CD1 4.34Å; L617-F734 HydrophobicContact CD2-CE1 4.09Å
618	S	88.6	Confident	88.1	Confident	5 Å²	5	48.5 Å²	48.5	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-37.3	179.8	-56	0	0	0	0	111.7	V614 L615 Q616 N622 R642	V614-S618 WeakPolarHBondContact O-CB 3.37Å; V614-S618 PolarHBondContact O-N 3.33Å; V614-S618 PolarHBondContact O-OG 3.15Å; L615-S618 WeakPolarHBondContact O-CB 3.48Å; L615-S618 PolarHBondContact O-N 3.07Å; L615-S618 VanDerWaalsContact O-N 3.12Å; Q616-S618 VanDerWaalsContact C-N 3.32Å; Q616-S618 PolarHBondContact O-N 3.3Å; S618-N622 WeakPolarHBondContact O-CB 3.25Å; S618-N622 PolarHBondContact O-N 3.2Å; S618-N622 VanDerWaalsContact O-N 3.12Å; S618-N622 PolarHBondContact O-ND2 3.48Å; S618-R642 WeakPolarHBondContact OG-CD 3.49Å
619	A	89.2	Confident	88	Confident	61 Å²	61	52.5 Å²	52.5	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-68.2	-42.3	174	0	0	0	0	0	112.3	L615 Q616 L617 N622 K623	L615-A619 PolarHBondContact O-N 3.14Å; Q616-A619 PolarHBondContact O-N 2.74Å; L617-A619 VanDerWaalsContact C-N 3.27Å; L617-A619 PolarHBondContact O-N 2.97Å; A619-N622 PolarHBondContact O-N 2.91Å; A619-K623 PolarHBondContact O-N 3.26Å; A619-K623 VanDerWaalsContact O-N 3.08Å
620	Q	87.6	Confident	88	Confident	81 Å²	81	57 Å²	57	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-46.7	176.1	-70.2	175.8	-14.3	0	0	112	Q616 L617 N622 K623 H624 T709 L712	Q616-Q620 WeakPolarHBondContact O-CG 3.44Å; Q616-Q620 PolarHBondContact O-N 3.43Å; Q616-Q620 VanDerWaalsContact O-N 3.1Å; L617-Q620 PolarHBondContact O-N 3.44Å; L617-Q620 VanDerWaalsContact O-N 3.17Å; Q620-N622 VanDerWaalsContact C-N 3.32Å; Q620-N622 PolarHBondContact O-N 3.29Å; Q620-K623 WeakPolarHBondContact O-CB 3.33Å; Q620-K623 PolarHBondContact O-N 3.45Å; Q620-K623 VanDerWaalsContact O-N 3.16Å; Q620-H624 PolarHBondContact O-CD2 3.15Å; Q620-H624 PolarHBondContact O-N 2.92Å; Q620-T709 PolarHBondContact OE1-OG1 2.96Å; Q620-L712 HydrophobicContact CB-CD2 3.9Å
621	L	89.5	Confident	88.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-33.7	178	-70.6	168.6	0	0	0	112.8	L617 H624 S625 L628 P635 L638 F639 L712 F727 L731	L617-L621 HydrophobicContact CD1-CD1 3.77Å; L617-L621 HydrophobicContact CD1-CG 3.86Å; L617-L621 HydrophobicContact CD2-CD1 4.27Å; L617-L621 HydrophobicContact CG-CD1 3.76Å; L617-L621 HydrophobicContact CG-CG 4.3Å; L617-L621 WeakPolarHBondContact O-CG 3.47Å; L617-L621 PolarHBondContact O-N 2.75Å; L621-H624 CarbonylContact O-C 3.5Å; L621-H624 PolarHBondContact O-N 2.96Å; L621-S625 WeakPolarHBondContact O-CA 3.18Å; L621-S625 PolarHBondContact O-N 2.81Å; L621-L628 HydrophobicContact CD2-CD1 3.79Å; L621-P635 HydrophobicContact CB-CB 4.15Å; L621-P635 HydrophobicContact CD1-CB 4.31Å; L621-L638 HydrophobicContact CD1-CD2 3.27Å; L621-F639 HydrophobicContact CB-CE1 4.33Å; L621-F639 HydrophobicContact CB-CZ 4.34Å; L621-L712 HydrophobicContact CD2-CD1 3.9Å; L621-L712 HydrophobicContact CD2-CD2 3.81Å; L621-L712 HydrophobicContact CD2-CG 4.49Å; L621-L712 HydrophobicContact CG-CD2 4.23Å; L621-F727 HydrophobicContact CD2-CZ 3.92Å; L621-L731 HydrophobicContact CD1-CD1 4.26Å
622	N	90.1	Very high	88.1	Confident	82 Å²	82	61.8 Å²	61.8	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-39.3	172.2	-84.6	-56.6	0	0	0	112.1	S618 A619 Q620 H624 S625 F639	S618-N622 WeakPolarHBondContact O-CB 3.25Å; S618-N622 PolarHBondContact O-N 3.2Å; S618-N622 VanDerWaalsContact O-N 3.12Å; S618-N622 PolarHBondContact O-ND2 3.48Å; A619-N622 PolarHBondContact O-N 2.91Å; Q620-N622 VanDerWaalsContact C-N 3.32Å; Q620-N622 PolarHBondContact O-N 3.29Å; N622-H624 VanDerWaalsContact C-N 3.27Å; N622-H624 PolarHBondContact O-N 3.47Å; N622-S625 VanDerWaalsContact O-CB 3.24Å; N622-S625 WeakPolarHBondContact O-CB 3.41Å; N622-S625 PolarHBondContact O-N 3Å; N622-S625 PolarHBondContact O-OG 1.86Å; N622-F639 VanDerWaalsContact CG-CZ 3.48Å; N622-F639 VanDerWaalsContact ND2-CZ 3.29Å; N622-F639 WeakPolarHBondContact ND2-CZ 3.34Å; N622-F639 WeakPolarHBondContact OD1-CE2 3.42Å; N622-F639 WeakPolarHBondContact OD1-CZ 3.2Å
623	K	91.2	Very high	88.4	Confident	171 Å²	171	56.8 Å²	56.8	74%	0.743	32%	0.319	S	S	*	.	H	α-helix	trans	-59.9	-35.6	175.6	-170.8	-169.4	175.1	-165.3	0	112.7	A619 Q620	A619-K623 PolarHBondContact O-N 3.26Å; A619-K623 VanDerWaalsContact O-N 3.08Å; Q620-K623 WeakPolarHBondContact O-CB 3.33Å; Q620-K623 PolarHBondContact O-N 3.45Å; Q620-K623 VanDerWaalsContact O-N 3.16Å
624	H	89.6	Confident	88.6	Confident	28 Å²	28	58.2 Å²	58.2	13%	0.13	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.1	179.2	-67.1	-80.8	0	0	0	113.8	Q620 L621 N622 A626 E627 L628 L712 L715	Q620-H624 PolarHBondContact O-CD2 3.15Å; Q620-H624 PolarHBondContact O-N 2.92Å; L621-H624 CarbonylContact O-C 3.5Å; L621-H624 PolarHBondContact O-N 2.96Å; N622-H624 VanDerWaalsContact C-N 3.27Å; N622-H624 PolarHBondContact O-N 3.47Å; H624-A626 PolarHBondContact O-N 2.8Å; H624-E627 PolarHBondContact O-N 3.22Å; H624-L628 HydrophobicContact CB-CD1 4.36Å; H624-L628 HydrophobicContact CB-CG 4.45Å; H624-L628 WeakPolarHBondContact O-CG 3.38Å; H624-L628 PolarHBondContact O-N 3.05Å; H624-L712 HydrophobicContact CB-CD1 4.17Å; H624-L715 HydrophobicContact CB-CD1 3.95Å
625	S	88.1	Confident	88.8	Confident	35 Å²	35	58.4 Å²	58.4	25%	0.245	33%	0.332	C	S	.	.	H	α-helix	trans	-57.2	-43	-170.6	54.2	0	0	0	0	114.2	L621 N622 L628 Q629	L621-S625 WeakPolarHBondContact O-CA 3.18Å; L621-S625 PolarHBondContact O-N 2.81Å; N622-S625 VanDerWaalsContact O-CB 3.24Å; N622-S625 WeakPolarHBondContact O-CB 3.41Å; N622-S625 PolarHBondContact O-N 3Å; N622-S625 PolarHBondContact O-OG 1.86Å; S625-L628 PolarHBondContact O-N 3.17Å; S625-Q629 VanDerWaalsContact O-CB 3.32Å; S625-Q629 WeakPolarHBondContact O-CB 3.43Å; S625-Q629 WeakPolarHBondContact O-CG 3.28Å; S625-Q629 PolarHBondContact O-N 3.31Å
626	A	88.3	Confident	88.9	Confident	71 Å²	71	60 Å²	60	59%	0.587	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-36.7	179.7	0	0	0	0	0	113.2	H624 S630	H624-A626 PolarHBondContact O-N 2.8Å; A626-S630 PolarHBondContact O-N 3.07Å
627	E	89.5	Confident	89.2	Confident	54 Å²	54	61.6 Å²	61.6	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-75.2	-38.9	177.1	-169.2	-173.1	171.6	0	0	111.6	H624 Q629 S630 R631 L715	H624-E627 PolarHBondContact O-N 3.22Å; E627-Q629 VanDerWaalsContact C-N 3.3Å; E627-Q629 PolarHBondContact O-N 3.41Å; E627-S630 PolarHBondContact O-N 3.19Å; E627-S630 PolarHBondContact O-OG 2.91Å; E627-R631 WeakPolarHBondContact O-CG 3.43Å; E627-R631 PolarHBondContact O-N 3.4Å; E627-R631 VanDerWaalsContact O-N 3.15Å; E627-R631 IonicContact OE1-CZ 3.48Å; E627-R631 IonicContact OE1-NE 3.24Å; E627-R631 PolarHBondContact OE1-NE 3.36Å; E627-R631 IonicContact OE1-NH2 2.82Å; E627-R631 PolarHBondContact OE1-NH2 2.83Å; E627-L715 WeakPolarHBondContact OE1-CD2 3.44Å
628	L	90.1	Very high	89.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-43	171.4	-69.5	173.7	0	0	0	110.5	L621 H624 S625 R631 G632 V633 L712 L715 F722 F727	L621-L628 HydrophobicContact CD2-CD1 3.79Å; H624-L628 HydrophobicContact CB-CD1 4.36Å; H624-L628 HydrophobicContact CB-CG 4.45Å; H624-L628 WeakPolarHBondContact O-CG 3.38Å; H624-L628 PolarHBondContact O-N 3.05Å; S625-L628 PolarHBondContact O-N 3.17Å; L628-R631 CarbonylContact O-C 3.57Å; L628-R631 PolarHBondContact O-N 2.98Å; L628-G632 PolarHBondContact O-N 3.36Å; L628-G632 VanDerWaalsContact O-N 3.14Å; L628-V633 CarbonylContact C-O 2.99Å; L628-V633 HydrophobicContact CB-CB 4.2Å; L628-V633 HydrophobicContact CD2-CB 4.29Å; L628-V633 HydrophobicContact CD2-CG1 4.29Å; L628-V633 WeakPolarHBondContact O-CA 3.23Å; L628-V633 WeakPolarHBondContact O-CB 3.15Å; L628-V633 PolarHBondContact O-N 2.86Å; L628-V633 VanDerWaalsContact O-O 3.1Å; L628-L712 HydrophobicContact CD1-CD1 4.23Å; L628-L712 HydrophobicContact CD2-CD1 4.45Å; L628-L715 HydrophobicContact CD2-CD1 4.08Å; L628-L715 HydrophobicContact CG-CD1 4.39Å; L628-F722 HydrophobicContact CD2-CZ 4.25Å; L628-F727 HydrophobicContact CD2-CD1 4.2Å; L628-F727 HydrophobicContact CD2-CE1 3.62Å; L628-F727 HydrophobicContact CD2-CZ 4.21Å
629	Q	89.3	Confident	89.6	Confident	123 Å²	123	63.6 Å²	63.6	58%	0.575	35%	0.345	S	S	*	.	H	α-helix	trans	-65.3	-40.3	177.8	-76.7	171.2	12.8	0	0	113.4	S625 E627 R631 G632 V633	S625-Q629 VanDerWaalsContact O-CB 3.32Å; S625-Q629 WeakPolarHBondContact O-CB 3.43Å; S625-Q629 WeakPolarHBondContact O-CG 3.28Å; S625-Q629 PolarHBondContact O-N 3.31Å; E627-Q629 VanDerWaalsContact C-N 3.3Å; E627-Q629 PolarHBondContact O-N 3.41Å; Q629-R631 VanDerWaalsContact C-N 3.27Å; Q629-R631 PolarHBondContact O-N 2.79Å; Q629-G632 WeakPolarHBondContact O-CA 3.39Å; Q629-G632 PolarHBondContact O-N 3.44Å; Q629-V633 PolarHBondContact N-O 2.78Å
630	S	89.8	Confident	89.8	Confident	101 Å²	101	62.8 Å²	62.8	71%	0.706	34%	0.336	S	S	*	.	H	α-helix	trans	-66.2	-31	175.9	65.8	0	0	0	0	112.4	A626 E627 G632	A626-S630 PolarHBondContact O-N 3.07Å; E627-S630 PolarHBondContact O-N 3.19Å; E627-S630 PolarHBondContact O-OG 2.91Å; S630-G632 PolarHBondContact O-N 3.28Å
631	R	88.7	Confident	90.1	Very high	58 Å²	58	58.9 Å²	58.9	22%	0.219	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6.1	168.6	-60	172.4	-174.7	-96.8	12.5	113.5	E627 L628 Q629 V633 E724 R728	E627-R631 WeakPolarHBondContact O-CG 3.43Å; E627-R631 PolarHBondContact O-N 3.4Å; E627-R631 VanDerWaalsContact O-N 3.15Å; E627-R631 IonicContact OE1-CZ 3.48Å; E627-R631 IonicContact OE1-NE 3.24Å; E627-R631 PolarHBondContact OE1-NE 3.36Å; E627-R631 IonicContact OE1-NH2 2.82Å; E627-R631 PolarHBondContact OE1-NH2 2.83Å; L628-R631 CarbonylContact O-C 3.57Å; L628-R631 PolarHBondContact O-N 2.98Å; Q629-R631 VanDerWaalsContact C-N 3.27Å; Q629-R631 PolarHBondContact O-N 2.79Å; R631-V633 VanDerWaalsContact C-N 3.34Å; R631-V633 PolarHBondContact O-N 2.96Å; R631-E724 HydrophobicContact CB-CG 4.48Å; R631-E724 VanDerWaalsContact CD-OE1 3.28Å; R631-E724 WeakPolarHBondContact CD-OE1 3.45Å; R631-E724 VanDerWaalsContact CG-OE1 3.27Å; R631-E724 WeakPolarHBondContact CG-OE1 3.48Å; R631-E724 IonicContact CZ-OE1 3.73Å; R631-E724 IonicContact NE-OE1 3.89Å; R631-E724 IonicContact NH1-OE1 2.78Å; R631-E724 PolarHBondContact NH1-OE1 2.95Å; R631-R728 PolarHBondContact O-NH2 3.16Å
632	G	88.3	Confident	90.3	Very high	49 Å²	49	61.7 Å²	61.7	51%	0.505	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	22.3	178.2	0	0	0	0	0	115.5	L628 Q629 S630 R728	L628-G632 PolarHBondContact O-N 3.36Å; L628-G632 VanDerWaalsContact O-N 3.14Å; Q629-G632 WeakPolarHBondContact O-CA 3.39Å; Q629-G632 PolarHBondContact O-N 3.44Å; S630-G632 PolarHBondContact O-N 3.28Å; G632-R728 VanDerWaalsContact O-CZ 3.31Å; G632-R728 PolarHBondContact O-NH1 2.81Å; G632-R728 PolarHBondContact O-NH2 2.71Å
633	V	88.4	Confident	90.4	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.03	32%	0.316	C	S	.	.			trans	-102.4	127.1	177.6	-176.1	0	0	0	0	109.3	L628 Q629 R631 F727 R728 L731	L628-V633 CarbonylContact C-O 2.99Å; L628-V633 HydrophobicContact CB-CB 4.2Å; L628-V633 HydrophobicContact CD2-CB 4.29Å; L628-V633 HydrophobicContact CD2-CG1 4.29Å; L628-V633 WeakPolarHBondContact O-CA 3.23Å; L628-V633 WeakPolarHBondContact O-CB 3.15Å; L628-V633 PolarHBondContact O-N 2.86Å; L628-V633 VanDerWaalsContact O-O 3.1Å; Q629-V633 PolarHBondContact N-O 2.78Å; R631-V633 VanDerWaalsContact C-N 3.34Å; R631-V633 PolarHBondContact O-N 2.96Å; V633-F727 HydrophobicContact CG1-CD1 4.12Å; V633-F727 HydrophobicContact CG1-CE1 4.05Å; V633-R728 HydrophobicContact CG2-CG 3.89Å; V633-L731 HydrophobicContact CG1-CD2 3.89Å
634	S	88.6	Confident	90.6	Very high	67 Å²	67	52.6 Å²	52.6	47%	0.469	29%	0.292	S	S	.	.			trans	-115.6	121	178.8	-178.3	0	0	0	0	111.6	Q636	S634-Q636 PolarHBondContact O-N 3.47Å; S634-Q636 WeakPolarHBondContact OG-CB 3.47Å; S634-Q636 PolarHBondContact OG-N 2.76Å
635	P	89	Confident	90.8	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.026	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.7	172.9	32.5	-35.1	0	0	0	113.6	L621 W637 L638 F639	L621-P635 HydrophobicContact CB-CB 4.15Å; L621-P635 HydrophobicContact CD1-CB 4.31Å; P635-W637 VanDerWaalsContact C-N 3.29Å; P635-W637 PolarHBondContact O-N 2.9Å; P635-L638 WeakPolarHBondContact O-CB 3.33Å; P635-L638 PolarHBondContact O-N 3.15Å; P635-F639 HydrophobicContact CB-CE1 4.11Å; P635-F639 HydrophobicContact CB-CE2 4.04Å; P635-F639 HydrophobicContact CB-CZ 3.71Å; P635-F639 HydrophobicContact CG-CE2 3.73Å; P635-F639 HydrophobicContact CG-CZ 3.68Å; P635-F639 PolarHBondContact O-N 2.87Å
636	Q	90.7	Very high	91.1	Very high	121 Å²	121	50.8 Å²	50.8	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-56	-38.3	-173.3	-175.3	63.1	16.7	0	0	113.8	S634 L638 F639 S640	S634-Q636 PolarHBondContact O-N 3.47Å; S634-Q636 WeakPolarHBondContact OG-CB 3.47Å; S634-Q636 PolarHBondContact OG-N 2.76Å; Q636-L638 VanDerWaalsContact C-N 3.34Å; Q636-L638 PolarHBondContact O-N 3.35Å; Q636-F639 PolarHBondContact O-N 3.44Å; Q636-S640 PolarHBondContact O-N 3.48Å
637	W	91	Very high	91.3	Very high	176 Å²	176	53.6 Å²	53.6	67%	0.667	28%	0.278	S	S	*	.	H	α-helix	trans	-65.7	-35.1	177.3	-73.4	107.4	0	0	0	112.6	P635 S640 A641 T735	P635-W637 VanDerWaalsContact C-N 3.29Å; P635-W637 PolarHBondContact O-N 2.9Å; W637-S640 WeakPolarHBondContact O-CB 3.21Å; W637-S640 PolarHBondContact O-N 2.96Å; W637-A641 WeakPolarHBondContact O-CB 3.35Å; W637-A641 PolarHBondContact O-N 3.15Å; W637-T735 HydrophobicContact CB-CG2 3.86Å; W637-T735 WeakPolarHBondContact O-CG2 3.49Å
638	L	92.4	Very high	91.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-41	174.2	-177	70.5	0	0	0	111.4	L617 L621 P635 Q636 S640 A641 R642 L731 F734 T735 L738	L617-L638 HydrophobicContact CD2-CD2 3.76Å; L617-L638 HydrophobicContact CG-CD2 4.14Å; L621-L638 HydrophobicContact CD1-CD2 3.27Å; P635-L638 WeakPolarHBondContact O-CB 3.33Å; P635-L638 PolarHBondContact O-N 3.15Å; Q636-L638 VanDerWaalsContact C-N 3.34Å; Q636-L638 PolarHBondContact O-N 3.35Å; L638-S640 VanDerWaalsContact C-N 3.28Å; L638-S640 PolarHBondContact O-N 3.36Å; L638-A641 PolarHBondContact O-N 2.95Å; L638-R642 WeakPolarHBondContact O-CB 3.48Å; L638-R642 PolarHBondContact O-N 2.97Å; L638-L731 HydrophobicContact CB-CD1 4.33Å; L638-L731 HydrophobicContact CD2-CD1 4.18Å; L638-F734 HydrophobicContact CD1-CD1 3.6Å; L638-F734 HydrophobicContact CD1-CE1 3.89Å; L638-T735 HydrophobicContact CB-CG2 4.5Å; L638-L738 HydrophobicContact CD1-CD2 3.94Å
639	F	92.4	Very high	91.7	Very high	47 Å²	47	51.2 Å²	51.2	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-36.5	176.3	-56.1	-25.7	0	0	0	111.4	L621 N622 P635 Q636 G643	L621-F639 HydrophobicContact CB-CE1 4.33Å; L621-F639 HydrophobicContact CB-CZ 4.34Å; N622-F639 VanDerWaalsContact CG-CZ 3.48Å; N622-F639 VanDerWaalsContact ND2-CZ 3.29Å; N622-F639 WeakPolarHBondContact ND2-CZ 3.34Å; N622-F639 WeakPolarHBondContact OD1-CE2 3.42Å; N622-F639 WeakPolarHBondContact OD1-CZ 3.2Å; P635-F639 HydrophobicContact CB-CE1 4.11Å; P635-F639 HydrophobicContact CB-CE2 4.04Å; P635-F639 HydrophobicContact CB-CZ 3.71Å; P635-F639 HydrophobicContact CG-CE2 3.73Å; P635-F639 HydrophobicContact CG-CZ 3.68Å; P635-F639 PolarHBondContact O-N 2.87Å; Q636-F639 PolarHBondContact O-N 3.44Å; F639-G643 PolarHBondContact O-N 2.83Å
640	S	93.4	Very high	91.9	Very high	44 Å²	44	49.3 Å²	49.3	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-55	170.7	-161.4	0	0	0	0	111.5	Q636 W637 L638 R642 G643 D644	Q636-S640 PolarHBondContact O-N 3.48Å; W637-S640 WeakPolarHBondContact O-CB 3.21Å; W637-S640 PolarHBondContact O-N 2.96Å; L638-S640 VanDerWaalsContact C-N 3.28Å; L638-S640 PolarHBondContact O-N 3.36Å; S640-R642 VanDerWaalsContact C-N 3.33Å; S640-R642 PolarHBondContact O-N 2.75Å; S640-G643 CarbonylContact O-C 3.57Å; S640-G643 WeakPolarHBondContact O-CA 3.25Å; S640-G643 PolarHBondContact O-N 3.27Å; S640-D644 PolarHBondContact O-N 3.2Å
641	A	93.5	Very high	92.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-39.5	-177.7	0	0	0	0	0	112.9	W637 L638 Y645 T735 L738 Q739	W637-A641 WeakPolarHBondContact O-CB 3.35Å; W637-A641 PolarHBondContact O-N 3.15Å; L638-A641 PolarHBondContact O-N 2.95Å; A641-Y645 WeakPolarHBondContact O-CB 3.43Å; A641-Y645 PolarHBondContact O-N 3.21Å; A641-T735 HydrophobicContact CB-CG2 4.1Å; A641-L738 HydrophobicContact CB-CB 4.3Å; A641-L738 HydrophobicContact CB-CD2 4.02Å; A641-L738 HydrophobicContact CB-CG 4.05Å; A641-Q739 VanDerWaalsContact CA-OE1 3.28Å; A641-Q739 HydrophobicContact CB-CB 4.08Å
642	R	93.8	Very high	92.3	Very high	58 Å²	58	44.4 Å²	44.4	22%	0.219	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-42.1	171.8	-178.6	-178.6	168.8	-89.5	-18.1	111.6	A611 V614 S618 L638 S640 Y645 S646 L738	A611-R642 PolarHBondContact O-NE 3.35Å; A611-R642 PolarHBondContact O-NH2 2.71Å; V614-R642 HydrophobicContact CB-CG 4.37Å; V614-R642 HydrophobicContact CG1-CB 4.33Å; V614-R642 HydrophobicContact CG1-CG 4.3Å; S618-R642 WeakPolarHBondContact OG-CD 3.49Å; L638-R642 WeakPolarHBondContact O-CB 3.48Å; L638-R642 PolarHBondContact O-N 2.97Å; S640-R642 VanDerWaalsContact C-N 3.33Å; S640-R642 PolarHBondContact O-N 2.75Å; R642-Y645 PolarHBondContact O-N 3.46Å; R642-S646 WeakPolarHBondContact O-CB 3.42Å; R642-S646 PolarHBondContact O-N 3.11Å; R642-L738 HydrophobicContact CB-CD2 4.06Å
643	G	93.3	Very high	92.5	Very high	17 Å²	17	45.4 Å²	45.4	18%	0.175	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-41.9	177.1	0	0	0	0	0	112.6	F639 S640 R647	F639-G643 PolarHBondContact O-N 2.83Å; S640-G643 CarbonylContact O-C 3.57Å; S640-G643 WeakPolarHBondContact O-CA 3.25Å; S640-G643 PolarHBondContact O-N 3.27Å; G643-R647 VanDerWaalsContact C-CZ 3.45Å; G643-R647 WeakPolarHBondContact O-CB 3.23Å; G643-R647 WeakPolarHBondContact O-CG 3.36Å; G643-R647 PolarHBondContact O-N 2.87Å; G643-R647 PolarHBondContact O-NE 3.36Å
644	D	94	Very high	92.7	Very high	46 Å²	46	50.7 Å²	50.7	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-44.7	174.7	-71.1	-31.7	0	0	0	111.4	S640 S646 R647 A648 Q739 A742	S640-D644 PolarHBondContact O-N 3.2Å; D644-S646 PolarHBondContact O-N 2.98Å; D644-R647 PolarHBondContact O-N 2.82Å; D644-R647 IonicContact OD1-CZ 3.78Å; D644-R647 IonicContact OD1-NE 2.9Å; D644-R647 IonicContact OD1-NH2 3.81Å; D644-R647 PolarHBondContact OD1-NH2 3.01Å; D644-A648 VanDerWaalsContact O-CB 3.31Å; D644-A648 WeakPolarHBondContact O-CB 3.41Å; D644-A648 PolarHBondContact O-N 2.88Å; D644-Q739 PolarHBondContact OD2-NE2 2.95Å; D644-Q739 PolarHBondContact OD2-OE1 3Å; D644-A742 HydrophobicContact CB-CB 3.89Å
645	Y	94.1	Very high	92.9	Very high	1 Å²	1	49 Å²	49	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-45.8	176.2	-175.6	-85.7	0	0	0	111.8	I607 A611 A641 R642 A648 A649 V677 F681 L738 A741 A742 L745	I607-Y645 PolarHBondContact O-OH 3.39Å; A611-Y645 HydrophobicContact CB-CD1 3.96Å; A611-Y645 HydrophobicContact CB-CE1 4.26Å; A641-Y645 WeakPolarHBondContact O-CB 3.43Å; A641-Y645 PolarHBondContact O-N 3.21Å; R642-Y645 PolarHBondContact O-N 3.46Å; Y645-A648 PolarHBondContact O-N 3.42Å; Y645-A649 HydrophobicContact CE1-CB 4.25Å; Y645-A649 WeakPolarHBondContact O-CB 3.26Å; Y645-A649 PolarHBondContact O-N 2.94Å; Y645-V677 VanDerWaalsContact OH-CG1 3.23Å; Y645-V677 WeakPolarHBondContact OH-CG1 3.48Å; Y645-F681 HydrophobicContact CD2-CE2 4.5Å; Y645-F681 AromaticContact CD2-CZ 3.99Å; Y645-F681 HydrophobicContact CD2-CZ 3.99Å; Y645-F681 HydrophobicContact CE1-CZ 4.45Å; Y645-F681 AromaticContact CE2-CE2 3.65Å; Y645-F681 HydrophobicContact CE2-CE2 3.65Å; Y645-F681 AromaticContact CE2-CZ 3.53Å; Y645-F681 HydrophobicContact CE2-CZ 3.53Å; Y645-F681 AromaticContact CZ-CE2 3.87Å; Y645-F681 AromaticContact CZ-CZ 3.82Å; Y645-L738 HydrophobicContact CD2-CD1 4.21Å; Y645-L738 HydrophobicContact CG-CD1 4.03Å; Y645-A741 HydrophobicContact CD2-CB 4.07Å; Y645-A741 HydrophobicContact CE2-CB 4.11Å; Y645-A742 HydrophobicContact CD2-CB 4.45Å; Y645-L745 HydrophobicContact CD2-CD2 4.38Å; Y645-L745 HydrophobicContact CE2-CD2 3.77Å
646	S	93.9	Very high	93.1	Very high	24 Å²	24	49.2 Å²	49.2	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-59	-50.6	176.9	-150.4	0	0	0	0	110.8	R642 D644 A648 A649 E650	R642-S646 WeakPolarHBondContact O-CB 3.42Å; R642-S646 PolarHBondContact O-N 3.11Å; D644-S646 PolarHBondContact O-N 2.98Å; S646-A648 VanDerWaalsContact C-N 3.35Å; S646-A648 PolarHBondContact O-N 3.27Å; S646-A649 PolarHBondContact O-N 2.89Å; S646-E650 WeakPolarHBondContact CB-OE1 3.45Å; S646-E650 WeakPolarHBondContact O-CB 3.35Å; S646-E650 VanDerWaalsContact O-CD 3.26Å; S646-E650 WeakPolarHBondContact O-CG 3.44Å; S646-E650 PolarHBondContact O-N 3.35Å; S646-E650 PolarHBondContact OG-OE1 3.33Å
647	R	93.9	Very high	93.2	Very high	129 Å²	129	48 Å²	48	49%	0.487	23%	0.23	S	C	.	.	H	α-helix	trans	-59.4	-41.2	176.8	-76	-176.1	-70.5	-92.1	7.4	112.9	G643 D644 T651	G643-R647 VanDerWaalsContact C-CZ 3.45Å; G643-R647 WeakPolarHBondContact O-CB 3.23Å; G643-R647 WeakPolarHBondContact O-CG 3.36Å; G643-R647 PolarHBondContact O-N 2.87Å; G643-R647 PolarHBondContact O-NE 3.36Å; D644-R647 PolarHBondContact O-N 2.82Å; D644-R647 IonicContact OD1-CZ 3.78Å; D644-R647 IonicContact OD1-NE 2.9Å; D644-R647 IonicContact OD1-NH2 3.81Å; D644-R647 PolarHBondContact OD1-NH2 3.01Å; R647-T651 WeakPolarHBondContact O-CB 3.39Å; R647-T651 PolarHBondContact O-N 2.9Å; R647-T651 PolarHBondContact O-OG1 2.77Å
648	A	93.8	Very high	93.2	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-45.5	178.8	0	0	0	0	0	111.4	D644 Y645 S646 T651 L652 L745 N746	D644-A648 VanDerWaalsContact O-CB 3.31Å; D644-A648 WeakPolarHBondContact O-CB 3.41Å; D644-A648 PolarHBondContact O-N 2.88Å; Y645-A648 PolarHBondContact O-N 3.42Å; S646-A648 VanDerWaalsContact C-N 3.35Å; S646-A648 PolarHBondContact O-N 3.27Å; A648-T651 PolarHBondContact O-N 3.14Å; A648-L652 PolarHBondContact O-N 2.94Å; A648-L745 HydrophobicContact CB-CB 4.18Å; A648-L745 HydrophobicContact CB-CD2 4.31Å; A648-L745 HydrophobicContact CB-CG 4.17Å; A648-N746 HydrophobicContact CB-CB 4.18Å
649	A	93.8	Very high	93.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-47.7	176.7	0	0	0	0	0	112.1	I607 T608 Y645 S646 T651 L652 Q653 L745	I607-A649 HydrophobicContact CD1-CB 4.37Å; I607-A649 HydrophobicContact CG1-CB 4.24Å; T608-A649 HydrophobicContact CG2-CB 3.94Å; Y645-A649 HydrophobicContact CE1-CB 4.25Å; Y645-A649 WeakPolarHBondContact O-CB 3.26Å; Y645-A649 PolarHBondContact O-N 2.94Å; S646-A649 PolarHBondContact O-N 2.89Å; A649-T651 VanDerWaalsContact C-N 3.26Å; A649-T651 PolarHBondContact O-N 2.99Å; A649-L652 PolarHBondContact O-N 3.22Å; A649-Q653 WeakPolarHBondContact O-CB 3.16Å; A649-Q653 PolarHBondContact O-N 3.07Å; A649-L745 HydrophobicContact CB-CD2 3.82Å
650	E	93.3	Very high	93.1	Very high	84 Å²	84	53.7 Å²	53.7	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-31.3	176.1	-69.5	158.1	-140.9	0	0	112.7	S646 R654	S646-E650 WeakPolarHBondContact CB-OE1 3.45Å; S646-E650 WeakPolarHBondContact O-CB 3.35Å; S646-E650 VanDerWaalsContact O-CD 3.26Å; S646-E650 WeakPolarHBondContact O-CG 3.44Å; S646-E650 PolarHBondContact O-N 3.35Å; S646-E650 PolarHBondContact OG-OE1 3.33Å; E650-R654 WeakPolarHBondContact O-CB 3.43Å; E650-R654 WeakPolarHBondContact O-CG 3.22Å; E650-R654 PolarHBondContact O-N 3.02Å; E650-R654 VanDerWaalsContact O-N 3.13Å; E650-R654 PolarHBondContact O-NE 3.33Å; E650-R654 PolarHBondContact O-NH2 3.01Å
651	T	93.4	Very high	92.8	Very high	56 Å²	56	54 Å²	54	34%	0.344	26%	0.263	S	S	.	.	H	α-helix	trans	-80.4	-36.8	178.7	-58.5	0	0	0	0	111.7	R647 A648 A649 R654 A655	R647-T651 WeakPolarHBondContact O-CB 3.39Å; R647-T651 PolarHBondContact O-N 2.9Å; R647-T651 PolarHBondContact O-OG1 2.77Å; A648-T651 PolarHBondContact O-N 3.14Å; A649-T651 VanDerWaalsContact C-N 3.26Å; A649-T651 PolarHBondContact O-N 2.99Å; T651-R654 PolarHBondContact OG1-NH2 3Å; T651-A655 VanDerWaalsContact O-CB 3.26Å; T651-A655 WeakPolarHBondContact O-CB 3.35Å; T651-A655 PolarHBondContact O-N 3.28Å
652	L	92.8	Very high	92.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-44.6	169.8	175.2	55.5	0	0	0	111.1	I607 A648 A649 A655 I656 Y670 R673 I674 L745	I607-L652 HydrophobicContact CD1-CB 3.91Å; I607-L652 HydrophobicContact CD1-CD2 3.69Å; I607-L652 HydrophobicContact CD1-CG 3.8Å; A648-L652 PolarHBondContact O-N 2.94Å; A649-L652 PolarHBondContact O-N 3.22Å; L652-A655 WeakPolarHBondContact O-CB 3.31Å; L652-A655 PolarHBondContact O-N 3.06Å; L652-A655 VanDerWaalsContact O-N 3.15Å; L652-I656 HydrophobicContact CD1-CD1 3.93Å; L652-I656 HydrophobicContact CD1-CG1 4.13Å; L652-I656 HydrophobicContact CG-CD1 3.99Å; L652-I656 WeakPolarHBondContact O-CG1 3.24Å; L652-I656 PolarHBondContact O-N 3.36Å; L652-Y670 HydrophobicContact CD1-CD1 3.36Å; L652-Y670 HydrophobicContact CD1-CE1 3.87Å; L652-Y670 HydrophobicContact CD1-CG 4.22Å; L652-R673 HydrophobicContact CD2-CB 3.8Å; L652-I674 HydrophobicContact CD2-CG1 4.35Å; L652-L745 HydrophobicContact CD2-CD1 3.49Å; L652-L745 VanDerWaalsContact CD2-CD1 3.49Å
653	Q	92.9	Very high	92.3	Very high	69 Å²	69	60.7 Å²	60.7	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-57.5	-54.3	176.9	-172	61.9	60.3	0	0	111	A649 A655 I656 D657	A649-Q653 WeakPolarHBondContact O-CB 3.16Å; A649-Q653 PolarHBondContact O-N 3.07Å; Q653-A655 PolarHBondContact O-N 2.94Å; Q653-I656 WeakPolarHBondContact O-CA 3.36Å; Q653-I656 WeakPolarHBondContact O-CB 3.33Å; Q653-I656 PolarHBondContact O-N 3.35Å; Q653-D657 PolarHBondContact NE2-OD1 3.34Å; Q653-D657 PolarHBondContact O-N 2.9Å
654	R	93	Very high	91.9	Very high	117 Å²	117	63.1 Å²	63.1	44%	0.442	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-33.8	176.1	-76.2	177.7	-75.7	110.1	-0.7	113.3	E650 T651 D657 Y658	E650-R654 WeakPolarHBondContact O-CB 3.43Å; E650-R654 WeakPolarHBondContact O-CG 3.22Å; E650-R654 PolarHBondContact O-N 3.02Å; E650-R654 VanDerWaalsContact O-N 3.13Å; E650-R654 PolarHBondContact O-NE 3.33Å; E650-R654 PolarHBondContact O-NH2 3.01Å; T651-R654 PolarHBondContact OG1-NH2 3Å; R654-D657 PolarHBondContact O-N 2.9Å; R654-Y658 HydrophobicContact CB-CD2 4.49Å; R654-Y658 HydrophobicContact CB-CE2 4.49Å; R654-Y658 WeakPolarHBondContact O-CD2 3.44Å; R654-Y658 PolarHBondContact O-N 3.28Å
655	A	92.4	Very high	91.7	Very high	32 Å²	32	66.5 Å²	66.5	26%	0.264	33%	0.329	S	S	.	.	H	α-helix	trans	-68.2	-36.4	176.2	0	0	0	0	0	112.3	T651 L652 Q653 S659 Y670	T651-A655 VanDerWaalsContact O-CB 3.26Å; T651-A655 WeakPolarHBondContact O-CB 3.35Å; T651-A655 PolarHBondContact O-N 3.28Å; L652-A655 WeakPolarHBondContact O-CB 3.31Å; L652-A655 PolarHBondContact O-N 3.06Å; L652-A655 VanDerWaalsContact O-N 3.15Å; Q653-A655 PolarHBondContact O-N 2.94Å; A655-S659 WeakPolarHBondContact O-CB 3.43Å; A655-S659 PolarHBondContact O-N 3.09Å; A655-S659 PolarHBondContact O-OG 2.84Å; A655-Y670 HydrophobicContact CB-CE1 4.09Å; A655-Y670 PolarHBondContact O-OH 2.88Å
656	I	92.8	Very high	91.6	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-49.5	171.2	-67.9	160.9	0	0	0	109.9	I602 L652 Q653 Y658 S659 L661 Y670 I674	I602-I656 HydrophobicContact CD1-CG2 4.47Å; I602-I656 HydrophobicContact CG1-CG2 4.04Å; I602-I656 HydrophobicContact CG2-CD1 4.49Å; I602-I656 HydrophobicContact CG2-CG2 4.22Å; L652-I656 HydrophobicContact CD1-CD1 3.93Å; L652-I656 HydrophobicContact CD1-CG1 4.13Å; L652-I656 HydrophobicContact CG-CD1 3.99Å; L652-I656 WeakPolarHBondContact O-CG1 3.24Å; L652-I656 PolarHBondContact O-N 3.36Å; Q653-I656 WeakPolarHBondContact O-CA 3.36Å; Q653-I656 WeakPolarHBondContact O-CB 3.33Å; Q653-I656 PolarHBondContact O-N 3.35Å; I656-Y658 PolarHBondContact O-N 2.75Å; I656-Y658 VanDerWaalsContact O-N 3.14Å; I656-S659 PolarHBondContact O-N 3.39Å; I656-S659 VanDerWaalsContact O-N 3.15Å; I656-L661 HydrophobicContact CG2-CD1 4.19Å; I656-L661 HydrophobicContact CG2-CD2 4.2Å; I656-Y670 HydrophobicContact CD1-CG 4.39Å; I656-Y670 HydrophobicContact CG1-CD1 4.04Å; I656-Y670 HydrophobicContact CG1-CD2 3.72Å; I656-Y670 HydrophobicContact CG1-CE2 4.22Å; I656-Y670 HydrophobicContact CG1-CG 3.62Å; I656-I674 HydrophobicContact CD1-CD1 4.04Å
657	D	92.3	Very high	91.5	Very high	95 Å²	95	67.2 Å²	67.2	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-60.7	-25.4	-175.4	-53.7	-27.4	0	0	0	113.7	Q653 R654	Q653-D657 PolarHBondContact NE2-OD1 3.34Å; Q653-D657 PolarHBondContact O-N 2.9Å; R654-D657 PolarHBondContact O-N 2.9Å
658	Y	92.7	Very high	91.3	Very high	203 Å²	203	65.3 Å²	65.3	80%	0.796	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	10.7	-179.7	-65.5	-57.1	0	0	0	114.7	R654 I656	R654-Y658 HydrophobicContact CB-CD2 4.49Å; R654-Y658 HydrophobicContact CB-CE2 4.49Å; R654-Y658 WeakPolarHBondContact O-CD2 3.44Å; R654-Y658 PolarHBondContact O-N 3.28Å; I656-Y658 PolarHBondContact O-N 2.75Å; I656-Y658 VanDerWaalsContact O-N 3.14Å
659	S	91.8	Very high	91.2	Very high	40 Å²	40	70.3 Å²	70.3	28%	0.28	35%	0.347	S	S	.	.	S	Bend	trans	-104.5	155.7	178.8	-71	0	0	0	0	112.9	A655 I656 L661 Y670	A655-S659 WeakPolarHBondContact O-CB 3.43Å; A655-S659 PolarHBondContact O-N 3.09Å; A655-S659 PolarHBondContact O-OG 2.84Å; I656-S659 PolarHBondContact O-N 3.39Å; I656-S659 VanDerWaalsContact O-N 3.15Å; S659-L661 PolarHBondContact O-N 2.78Å; S659-Y670 PolarHBondContact OG-OH 3.09Å
660	D	89.5	Confident	91.1	Very high	100 Å²	100	71.5 Å²	71.5	54%	0.535	35%	0.351	S	S	.	.			trans	-75.3	114.1	164.7	-174	10.5	0	0	0	109.7	H662	D660-H662 VanDerWaalsContact C-N 3.34Å; D660-H662 WeakPolarHBondContact OD1-CB 3.28Å; D660-H662 IonicContact OD1-CE1 3.58Å; D660-H662 IonicContact OD1-CG 2.83Å; D660-H662 PolarHBondContact OD1-N 3.2Å; D660-H662 IonicContact OD1-ND1 3.56Å; D660-H662 PolarHBondContact OD1-ND1 2.92Å
661	L	88.5	Confident	91.1	Very high	50 Å²	50	67.5 Å²	67.5	26%	0.262	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.5	-178.2	-54.1	-179.4	0	0	0	112.8	H601 I602 I656 S659 Y670	H601-L661 PolarHBondContact CD2-O 2.75Å; H601-L661 VanDerWaalsContact CD2-O 3.22Å; I602-L661 HydrophobicContact CD1-CD2 4.11Å; I602-L661 HydrophobicContact CG1-CD1 3.8Å; I602-L661 HydrophobicContact CG1-CD2 3.82Å; I602-L661 HydrophobicContact CG1-CG 4.29Å; I656-L661 HydrophobicContact CG2-CD1 4.19Å; I656-L661 HydrophobicContact CG2-CD2 4.2Å; S659-L661 PolarHBondContact O-N 2.78Å; L661-Y670 HydrophobicContact CD2-CD2 4.43Å
662	H	86	Confident	91	Very high	148 Å²	148	67.3 Å²	67.3	69%	0.685	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-21.2	172.7	-54.3	89	0	0	0	112.4	D660 P664	D660-H662 VanDerWaalsContact C-N 3.34Å; D660-H662 WeakPolarHBondContact OD1-CB 3.28Å; D660-H662 IonicContact OD1-CE1 3.58Å; D660-H662 IonicContact OD1-CG 2.83Å; D660-H662 PolarHBondContact OD1-N 3.2Å; D660-H662 IonicContact OD1-ND1 3.56Å; D660-H662 PolarHBondContact OD1-ND1 2.92Å; H662-P664 VanDerWaalsContact O-CD 3.26Å; H662-P664 WeakPolarHBondContact O-CD 3.31Å
663	D	89.4	Confident	90.9	Very high	51 Å²	51	68.9 Å²	68.9	27%	0.273	34%	0.337	S	S	.	.	S	Bend	trans	-68.9	114.6	166.9	167.8	35.9	0	0	0	109.6	N665 T666 A667	D663-N665 PolarHBondContact O-N 3.14Å; D663-N665 WeakPolarHBondContact OD1-CB 3.43Å; D663-N665 PolarHBondContact OD1-N 3.23Å; D663-N665 PolarHBondContact OD1-ND2 3.24Å; D663-T666 PolarHBondContact O-N 3.09Å; D663-T666 WeakPolarHBondContact OD2-CB 3.37Å; D663-T666 PolarHBondContact OD2-N 2.93Å; D663-T666 PolarHBondContact OD2-OG1 3.44Å; D663-A667 PolarHBondContact O-N 3.18Å
664	P	86.6	Confident	90.9	Very high	69 Å²	69	65.8 Å²	65.8	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-25.2	-179.5	27.3	-35.5	0	0	0	112.4	H662 R668	H662-P664 VanDerWaalsContact O-CD 3.26Å; H662-P664 WeakPolarHBondContact O-CD 3.31Å; P664-R668 WeakPolarHBondContact O-CB 3.09Å; P664-R668 PolarHBondContact O-N 2.76Å
665	N	89.5	Confident	90.8	Very high	116 Å²	116	60.6 Å²	60.6	62%	0.62	30%	0.304	S	S	*	.	H	α-helix	trans	-71.8	-47.2	179.9	-55.4	-82.7	0	0	0	111.1	D663 R668 F669	D663-N665 PolarHBondContact O-N 3.14Å; D663-N665 WeakPolarHBondContact OD1-CB 3.43Å; D663-N665 PolarHBondContact OD1-N 3.23Å; D663-N665 PolarHBondContact OD1-ND2 3.24Å; N665-R668 PolarHBondContact O-N 3.03Å; N665-F669 WeakPolarHBondContact O-CB 3.47Å; N665-F669 PolarHBondContact O-N 3.22Å
666	T	91.1	Very high	90.7	Very high	41 Å²	41	62 Å²	62	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-47.3	175.6	-64.7	0	0	0	0	111.3	D663 R668 F669 Y670	D663-T666 PolarHBondContact O-N 3.09Å; D663-T666 WeakPolarHBondContact OD2-CB 3.37Å; D663-T666 PolarHBondContact OD2-N 2.93Å; D663-T666 PolarHBondContact OD2-OG1 3.44Å; T666-R668 PolarHBondContact O-N 3.21Å; T666-F669 PolarHBondContact O-N 2.88Å; T666-Y670 HydrophobicContact CG2-CD2 3.95Å; T666-Y670 HydrophobicContact CG2-CE2 3.45Å; T666-Y670 VanDerWaalsContact CG2-CE2 3.45Å; T666-Y670 VanDerWaalsContact O-CD2 3.28Å; T666-Y670 WeakPolarHBondContact O-CD2 3.44Å; T666-Y670 PolarHBondContact O-N 3.1Å; T666-Y670 VanDerWaalsContact O-N 3.11Å
667	A	91.2	Very high	90.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-47.9	175.9	0	0	0	0	0	112.1	I602 D663 F669 Y670 N671	I602-A667 HydrophobicContact CD1-CB 4.31Å; D663-A667 PolarHBondContact O-N 3.18Å; A667-F669 PolarHBondContact O-N 3.36Å; A667-Y670 PolarHBondContact O-N 3.13Å; A667-N671 WeakPolarHBondContact O-CB 3.33Å; A667-N671 PolarHBondContact O-N 2.76Å; A667-N671 PolarHBondContact O-ND2 3.17Å; A667-N671 VanDerWaalsContact O-ND2 3.17Å
668	R	90.5	Very high	90.8	Very high	89 Å²	89	57.4 Å²	57.4	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-65.5	-35.7	178.7	-174.6	171.2	168.4	92.6	3.4	112.9	E389 D391 P664 N665 T666 T672	E389-R668 IonicContact OE2-NH1 3.44Å; D391-R668 VanDerWaalsContact CG-NH2 3.34Å; D391-R668 IonicContact OD1-CZ 2.81Å; D391-R668 IonicContact OD1-NH1 2.86Å; D391-R668 PolarHBondContact OD1-NH1 3.31Å; D391-R668 IonicContact OD1-NH2 2.83Å; D391-R668 PolarHBondContact OD1-NH2 3.16Å; D391-R668 IonicContact OD2-CZ 3.09Å; D391-R668 IonicContact OD2-NH1 3.57Å; D391-R668 IonicContact OD2-NH2 2.9Å; D391-R668 PolarHBondContact OD2-NH2 3.2Å; P664-R668 WeakPolarHBondContact O-CB 3.09Å; P664-R668 PolarHBondContact O-N 2.76Å; N665-R668 PolarHBondContact O-N 3.03Å; T666-R668 PolarHBondContact O-N 3.21Å; R668-T672 WeakPolarHBondContact O-CB 3.3Å; R668-T672 PolarHBondContact O-N 3.4Å; R668-T672 PolarHBondContact O-OG1 2.95Å
669	F	91.1	Very high	90.9	Very high	109 Å²	109	49.6 Å²	49.6	48%	0.478	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-44.4	172.8	170.9	-105.9	0	0	0	112	N665 T666 A667 R673	N665-F669 WeakPolarHBondContact O-CB 3.47Å; N665-F669 PolarHBondContact O-N 3.22Å; T666-F669 PolarHBondContact O-N 2.88Å; A667-F669 PolarHBondContact O-N 3.36Å; F669-R673 PolarHBondContact O-N 2.83Å
670	Y	92.9	Very high	91	Very high	24 Å²	24	50.9 Å²	50.9	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-44.8	176.1	-65.7	-44.2	0	0	0	112.4	I602 L652 A655 I656 S659 L661 T666 A667 T672 R673 I674	I602-Y670 HydrophobicContact CD1-CD2 4.28Å; L652-Y670 HydrophobicContact CD1-CD1 3.36Å; L652-Y670 HydrophobicContact CD1-CE1 3.87Å; L652-Y670 HydrophobicContact CD1-CG 4.22Å; A655-Y670 HydrophobicContact CB-CE1 4.09Å; A655-Y670 PolarHBondContact O-OH 2.88Å; I656-Y670 HydrophobicContact CD1-CG 4.39Å; I656-Y670 HydrophobicContact CG1-CD1 4.04Å; I656-Y670 HydrophobicContact CG1-CD2 3.72Å; I656-Y670 HydrophobicContact CG1-CE2 4.22Å; I656-Y670 HydrophobicContact CG1-CG 3.62Å; S659-Y670 PolarHBondContact OG-OH 3.09Å; L661-Y670 HydrophobicContact CD2-CD2 4.43Å; T666-Y670 HydrophobicContact CG2-CD2 3.95Å; T666-Y670 HydrophobicContact CG2-CE2 3.45Å; T666-Y670 VanDerWaalsContact CG2-CE2 3.45Å; T666-Y670 VanDerWaalsContact O-CD2 3.28Å; T666-Y670 WeakPolarHBondContact O-CD2 3.44Å; T666-Y670 PolarHBondContact O-N 3.1Å; T666-Y670 VanDerWaalsContact O-N 3.11Å; A667-Y670 PolarHBondContact O-N 3.13Å; Y670-T672 VanDerWaalsContact C-N 3.27Å; Y670-T672 PolarHBondContact O-N 2.77Å; Y670-R673 WeakPolarHBondContact O-CA 3.48Å; Y670-R673 WeakPolarHBondContact O-CB 3.42Å; Y670-R673 PolarHBondContact O-N 2.98Å; Y670-I674 WeakPolarHBondContact O-CG1 3.33Å; Y670-I674 PolarHBondContact O-N 3.16Å
671	N	93.3	Very high	91.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54.8	-42.8	174.3	-68.2	-28.7	0	0	0	111.9	R436 H601 I602 L603 A667 R673 I674 M675	R436-N671 PolarHBondContact NH2-ND2 2.71Å; H601-N671 PolarHBondContact O-ND2 2.94Å; I602-N671 WeakPolarHBondContact CA-OD1 3.38Å; L603-N671 HydrophobicContact CD1-CB 4.04Å; L603-N671 HydrophobicContact CG-CB 4.29Å; L603-N671 WeakPolarHBondContact CG-OD1 3.42Å; L603-N671 PolarHBondContact N-OD1 3.38Å; A667-N671 WeakPolarHBondContact O-CB 3.33Å; A667-N671 PolarHBondContact O-N 2.76Å; A667-N671 PolarHBondContact O-ND2 3.17Å; A667-N671 VanDerWaalsContact O-ND2 3.17Å; N671-R673 VanDerWaalsContact C-N 3.28Å; N671-R673 PolarHBondContact O-N 2.97Å; N671-I674 PolarHBondContact O-N 3.38Å; N671-M675 WeakPolarHBondContact O-CG 3.26Å; N671-M675 PolarHBondContact O-N 2.76Å
672	T	90.6	Very high	91.6	Very high	52 Å²	52	43.9 Å²	43.9	32%	0.319	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-33.6	175.7	-56.9	0	0	0	0	112.8	R668 Y670 K676	R668-T672 WeakPolarHBondContact O-CB 3.3Å; R668-T672 PolarHBondContact O-N 3.4Å; R668-T672 PolarHBondContact O-OG1 2.95Å; Y670-T672 VanDerWaalsContact C-N 3.27Å; Y670-T672 PolarHBondContact O-N 2.77Å; T672-K676 HydrophobicContact CG2-CD 4.44Å; T672-K676 VanDerWaalsContact O-CD 3.31Å; T672-K676 WeakPolarHBondContact O-CD 3.45Å; T672-K676 VanDerWaalsContact O-CG 3.27Å; T672-K676 WeakPolarHBondContact O-CG 3.43Å
673	R	91	Very high	92	Very high	34 Å²	34	36.8 Å²	36.8	13%	0.128	18%	0.178	C	C	.	.	H	α-helix	trans	-76.6	-37.5	175.3	-70.3	170.3	67.4	173.6	0.8	111.9	L652 F669 Y670 N671 L745 N746	L652-R673 HydrophobicContact CD2-CB 3.8Å; F669-R673 PolarHBondContact O-N 2.83Å; Y670-R673 WeakPolarHBondContact O-CA 3.48Å; Y670-R673 WeakPolarHBondContact O-CB 3.42Å; Y670-R673 PolarHBondContact O-N 2.98Å; N671-R673 VanDerWaalsContact C-N 3.28Å; N671-R673 PolarHBondContact O-N 2.97Å; R673-L745 PolarHBondContact NE-O 3.49Å; R673-L745 PolarHBondContact NH2-O 3.19Å; R673-N746 VanDerWaalsContact NH2-C 3.28Å; R673-N746 PolarHBondContact NH2-O 2.88Å
674	I	92.7	Very high	92.1	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-52.2	177.3	-64.7	168.3	0	0	0	110.6	I602 L603 L605 I607 L652 I656 Y670 N671 K676 V677	I602-I674 HydrophobicContact CG2-CD1 3.93Å; L603-I674 HydrophobicContact CB-CD1 4.41Å; L603-I674 HydrophobicContact CB-CG2 4.23Å; L605-I674 HydrophobicContact CB-CG2 3.69Å; L605-I674 HydrophobicContact CD1-CG2 3.88Å; L605-I674 HydrophobicContact CG-CG2 4.25Å; I607-I674 HydrophobicContact CG2-CB 4.36Å; I607-I674 HydrophobicContact CG2-CG1 4.15Å; I607-I674 HydrophobicContact CG2-CG2 3.97Å; L652-I674 HydrophobicContact CD2-CG1 4.35Å; I656-I674 HydrophobicContact CD1-CD1 4.04Å; Y670-I674 WeakPolarHBondContact O-CG1 3.33Å; Y670-I674 PolarHBondContact O-N 3.16Å; N671-I674 PolarHBondContact O-N 3.38Å; I674-K676 PolarHBondContact O-N 2.71Å; I674-V677 WeakPolarHBondContact O-CB 3.39Å; I674-V677 WeakPolarHBondContact O-CG2 3.44Å; I674-V677 PolarHBondContact O-N 3.05Å
675	M	91.4	Very high	92.4	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.034	20%	0.195	C	C	.	.	H	α-helix	trans	-57.2	-35.4	-179.8	-69.5	168.8	66.5	0	0	112.6	Q392 K467 V469 L603 N671 V677	Q392-M675 HydrophobicContact CG-CE 4.16Å; Q392-M675 HydrophobicContact CG-SD 4.02Å; K467-M675 WeakPolarHBondContact O-CE 3.38Å; V469-M675 HydrophobicContact CG2-CE 3.95Å; V469-M675 HydrophobicContact CG2-SD 4.03Å; L603-M675 HydrophobicContact CD1-CG 3.53Å; L603-M675 HydrophobicContact CD1-SD 4.06Å; N671-M675 WeakPolarHBondContact O-CG 3.26Å; N671-M675 PolarHBondContact O-N 2.76Å; M675-V677 VanDerWaalsContact C-N 3.28Å; M675-V677 PolarHBondContact O-N 3.43Å
676	K	90.8	Very high	92.5	Very high	62 Å²	62	39.2 Å²	39.2	27%	0.27	18%	0.176	S	C	.	.	H	α-helix	trans	-66.6	-22.6	178.6	-80.9	173.3	-178.8	178.5	0	114.2	T672 I674 E678 Y679 Y680	T672-K676 HydrophobicContact CG2-CD 4.44Å; T672-K676 VanDerWaalsContact O-CD 3.31Å; T672-K676 WeakPolarHBondContact O-CD 3.45Å; T672-K676 VanDerWaalsContact O-CG 3.27Å; T672-K676 WeakPolarHBondContact O-CG 3.43Å; I674-K676 PolarHBondContact O-N 2.71Å; K676-E678 PolarHBondContact O-N 3.46Å; K676-Y679 PolarHBondContact O-N 2.77Å; K676-Y680 HydrophobicContact CB-CD2 4.05Å; K676-Y680 HydrophobicContact CB-CE2 4Å; K676-Y680 HydrophobicContact CD-CE2 4.3Å; K676-Y680 HydrophobicContact CG-CE2 4.22Å; K676-Y680 VanDerWaalsContact O-CD2 3.26Å; K676-Y680 WeakPolarHBondContact O-CD2 3.47Å; K676-Y680 PolarHBondContact O-N 3.25Å; K676-Y680 VanDerWaalsContact O-N 3.14Å
677	V	92.8	Very high	92.2	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-54	-54.3	-173.9	171.3	0	0	0	0	111.7	L491 I607 Y610 Y645 I674 M675 Y679 Y680 F681 L745	L491-V677 HydrophobicContact CD1-CB 4.18Å; L491-V677 HydrophobicContact CD1-CG1 4.05Å; L491-V677 HydrophobicContact CD2-CG1 4.13Å; I607-V677 HydrophobicContact CB-CG2 4.33Å; I607-V677 HydrophobicContact CG2-CG2 3.86Å; Y610-V677 HydrophobicContact CD2-CG1 4.11Å; Y645-V677 VanDerWaalsContact OH-CG1 3.23Å; Y645-V677 WeakPolarHBondContact OH-CG1 3.48Å; I674-V677 WeakPolarHBondContact O-CB 3.39Å; I674-V677 WeakPolarHBondContact O-CG2 3.44Å; I674-V677 PolarHBondContact O-N 3.05Å; M675-V677 VanDerWaalsContact C-N 3.28Å; M675-V677 PolarHBondContact O-N 3.43Å; V677-Y679 VanDerWaalsContact C-N 3.34Å; V677-Y679 PolarHBondContact O-N 2.78Å; V677-Y680 PolarHBondContact O-N 2.81Å; V677-F681 HydrophobicContact CG1-CD2 4.28Å; V677-F681 HydrophobicContact CG1-CE2 3.93Å; V677-F681 VanDerWaalsContact O-CD2 3.25Å; V677-F681 WeakPolarHBondContact O-CD2 3.21Å; V677-F681 PolarHBondContact O-N 2.9Å; V677-L745 HydrophobicContact CG2-CD1 3.59Å; V677-L745 HydrophobicContact CG2-CD2 4.29Å; V677-L745 HydrophobicContact CG2-CG 4.49Å
678	E	94.3	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-43.2	-177.4	-162.6	84.6	-110.2	0	0	111.9	S489 L491 T540 G544 P546 Y610 K676 Y680 F681 H695	S489-E678 VanDerWaalsContact CB-OE2 3.26Å; S489-E678 WeakPolarHBondContact CB-OE2 3.42Å; S489-E678 PolarHBondContact OG-OE1 2.72Å; S489-E678 PolarHBondContact OG-OE2 2.78Å; L491-E678 HydrophobicContact CD1-CB 4.12Å; L491-E678 WeakPolarHBondContact CD1-OE2 3.37Å; T540-E678 HydrophobicContact CG2-CG 4.26Å; G544-E678 WeakPolarHBondContact O-CB 3.22Å; P546-E678 VanDerWaalsContact CA-OE2 3.29Å; P546-E678 WeakPolarHBondContact CA-OE2 3.36Å; P546-E678 WeakPolarHBondContact CB-OE2 3.29Å; P546-E678 HydrophobicContact CG-CB 4.01Å; P546-E678 HydrophobicContact CG-CG 4.18Å; P546-E678 WeakPolarHBondContact CG-OE2 3.38Å; Y610-E678 WeakPolarHBondContact CE2-OE1 3.08Å; Y610-E678 PolarHBondContact OH-OE1 2.83Å; K676-E678 PolarHBondContact O-N 3.46Å; E678-Y680 PolarHBondContact O-N 3.3Å; E678-F681 PolarHBondContact O-N 3.39Å; E678-F681 VanDerWaalsContact O-N 3.12Å; E678-H695 IonicContact OE1-NE2 3.45Å; E678-H695 PolarHBondContact OE1-NE2 3.3Å
679	Y	94.3	Very high	91.1	Very high	40 Å²	40	39.8 Å²	39.8	16%	0.157	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-36.9	179.5	179.5	-96.2	0	0	0	113.6	H465 G544 K676 V677 F681 L682	H465-Y679 VanDerWaalsContact CB-CB 3.4Å; H465-Y679 HydrophobicContact CB-CD1 4.21Å; H465-Y679 HydrophobicContact CB-CD2 3.53Å; H465-Y679 HydrophobicContact CB-CE2 4.33Å; H465-Y679 HydrophobicContact CB-CG 3.45Å; H465-Y679 VanDerWaalsContact CB-CG 3.45Å; H465-Y679 AromaticContact CD2-CD1 3.92Å; H465-Y679 AromaticContact CE1-CE1 3.75Å; H465-Y679 AromaticContact CE1-CZ 3.68Å; H465-Y679 AromaticContact CG-CD1 3.75Å; H465-Y679 AromaticContact CG-CD2 3.6Å; H465-Y679 AromaticContact CG-CE2 3.97Å; H465-Y679 AromaticContact CG-CG 3.47Å; H465-Y679 VanDerWaalsContact CG-CG 3.47Å; H465-Y679 AromaticContact ND1-CD1 3.88Å; H465-Y679 AromaticContact ND1-CD2 3.49Å; H465-Y679 WeakPolarHBondContact ND1-CD2 3.39Å; H465-Y679 AromaticContact ND1-CE1 3.78Å; H465-Y679 AromaticContact ND1-CE2 3.36Å; H465-Y679 WeakPolarHBondContact ND1-CE2 3.36Å; H465-Y679 AromaticContact ND1-CG 3.74Å; H465-Y679 AromaticContact ND1-CZ 3.52Å; G544-Y679 PolarHBondContact O-N 2.73Å; K676-Y679 PolarHBondContact O-N 2.77Å; V677-Y679 VanDerWaalsContact C-N 3.34Å; V677-Y679 PolarHBondContact O-N 2.78Å; Y679-F681 PolarHBondContact O-N 2.82Å; Y679-L682 HydrophobicContact CD2-CD1 3.7Å; Y679-L682 HydrophobicContact CE2-CD1 3.92Å; Y679-L682 HydrophobicContact CG-CD1 4.47Å; Y679-L682 VanDerWaalsContact O-CB 3.23Å; Y679-L682 WeakPolarHBondContact O-CB 3.46Å; Y679-L682 VanDerWaalsContact O-CG 3.32Å; Y679-L682 WeakPolarHBondContact O-CG 3.26Å; Y679-L682 PolarHBondContact O-N 3.37Å
680	Y	93.8	Very high	90.6	Very high	66 Å²	66	41.4 Å²	41.4	26%	0.259	20%	0.198	S	C	.	.	H	α-helix	trans	-75.8	-5.4	176.4	-75.7	-78.3	0	0	0	114	K676 V677 E678 L682 T737 A744	K676-Y680 HydrophobicContact CB-CD2 4.05Å; K676-Y680 HydrophobicContact CB-CE2 4Å; K676-Y680 HydrophobicContact CD-CE2 4.3Å; K676-Y680 HydrophobicContact CG-CE2 4.22Å; K676-Y680 VanDerWaalsContact O-CD2 3.26Å; K676-Y680 WeakPolarHBondContact O-CD2 3.47Å; K676-Y680 PolarHBondContact O-N 3.25Å; K676-Y680 VanDerWaalsContact O-N 3.14Å; V677-Y680 PolarHBondContact O-N 2.81Å; E678-Y680 PolarHBondContact O-N 3.3Å; Y680-L682 VanDerWaalsContact C-N 3.32Å; Y680-T737 WeakPolarHBondContact O-CG2 3.37Å; Y680-A744 HydrophobicContact CD1-CB 3.84Å; Y680-A744 HydrophobicContact CD2-CB 3.47Å; Y680-A744 VanDerWaalsContact CD2-CB 3.47Å; Y680-A744 HydrophobicContact CE1-CB 3.82Å; Y680-A744 HydrophobicContact CE2-CB 3.48Å; Y680-A744 VanDerWaalsContact CE2-CB 3.48Å; Y680-A744 HydrophobicContact CG-CB 3.67Å
681	F	94.9	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.3	163.2	-76.5	-77.3	0	0	0	113.3	Y610 Y645 V677 E678 Y679 S683 H695 V696 L738 A741	Y610-F681 HydrophobicContact CD1-CE2 4.39Å; Y610-F681 HydrophobicContact CD1-CZ 4.35Å; Y610-F681 AromaticContact CD2-CD2 3.65Å; Y610-F681 HydrophobicContact CD2-CD2 3.65Å; Y610-F681 AromaticContact CD2-CE2 3.33Å; Y610-F681 HydrophobicContact CD2-CE2 3.33Å; Y610-F681 AromaticContact CD2-CZ 3.99Å; Y610-F681 HydrophobicContact CD2-CZ 3.99Å; Y610-F681 AromaticContact CE2-CD2 3.76Å; Y610-F681 HydrophobicContact CE2-CD2 3.76Å; Y610-F681 AromaticContact CE2-CE2 3.97Å; Y610-F681 HydrophobicContact CE2-CE2 3.97Å; Y610-F681 HydrophobicContact CE2-CG 4.48Å; Y610-F681 HydrophobicContact CG-CD2 4.13Å; Y610-F681 HydrophobicContact CG-CE1 4.36Å; Y610-F681 AromaticContact CG-CE2 3.59Å; Y610-F681 HydrophobicContact CG-CE2 3.59Å; Y610-F681 AromaticContact CG-CZ 3.73Å; Y610-F681 HydrophobicContact CG-CZ 3.73Å; Y645-F681 HydrophobicContact CD2-CE2 4.5Å; Y645-F681 AromaticContact CD2-CZ 3.99Å; Y645-F681 HydrophobicContact CD2-CZ 3.99Å; Y645-F681 HydrophobicContact CE1-CZ 4.45Å; Y645-F681 AromaticContact CE2-CE2 3.65Å; Y645-F681 HydrophobicContact CE2-CE2 3.65Å; Y645-F681 AromaticContact CE2-CZ 3.53Å; Y645-F681 HydrophobicContact CE2-CZ 3.53Å; Y645-F681 AromaticContact CZ-CE2 3.87Å; Y645-F681 AromaticContact CZ-CZ 3.82Å; V677-F681 HydrophobicContact CG1-CD2 4.28Å; V677-F681 HydrophobicContact CG1-CE2 3.93Å; V677-F681 VanDerWaalsContact O-CD2 3.25Å; V677-F681 WeakPolarHBondContact O-CD2 3.21Å; V677-F681 PolarHBondContact O-N 2.9Å; E678-F681 PolarHBondContact O-N 3.39Å; E678-F681 VanDerWaalsContact O-N 3.12Å; Y679-F681 PolarHBondContact O-N 2.82Å; F681-S683 PolarHBondContact O-N 2.83Å; F681-H695 VanDerWaalsContact CB-NE2 3.32Å; F681-H695 WeakPolarHBondContact CB-NE2 3.27Å; F681-H695 CarbonylContact O-C 3.59Å; F681-H695 WeakPolarHBondContact O-CA 3.37Å; F681-V696 HydrophobicContact CB-CG2 4.36Å; F681-V696 HydrophobicContact CD1-CG2 3.76Å; F681-V696 PolarHBondContact O-N 3.1Å; F681-L738 HydrophobicContact CE1-CD1 3.77Å; F681-L738 HydrophobicContact CZ-CD1 4.09Å; F681-A741 HydrophobicContact CD2-CB 4.48Å; F681-A741 HydrophobicContact CE1-CB 4.45Å; F681-A741 HydrophobicContact CE2-CB 4.17Å; F681-A741 HydrophobicContact CZ-CB 4.14Å
682	L	94.8	Very high	89.8	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-72.6	121.5	162.8	-55.3	-179.6	0	0	0	109.9	Y679 Y680 Q684 R694 H695	Y679-L682 HydrophobicContact CD2-CD1 3.7Å; Y679-L682 HydrophobicContact CE2-CD1 3.92Å; Y679-L682 HydrophobicContact CG-CD1 4.47Å; Y679-L682 VanDerWaalsContact O-CB 3.23Å; Y679-L682 WeakPolarHBondContact O-CB 3.46Å; Y679-L682 VanDerWaalsContact O-CG 3.32Å; Y679-L682 WeakPolarHBondContact O-CG 3.26Å; Y679-L682 PolarHBondContact O-N 3.37Å; Y680-L682 VanDerWaalsContact C-N 3.32Å; L682-Q684 PolarHBondContact O-N 3.01Å; L682-R694 HydrophobicContact CB-CB 4.34Å; L682-R694 HydrophobicContact CD2-CB 4.46Å; L682-H695 HydrophobicContact CD2-CB 3.77Å
683	S	94.9	Very high	89.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.			trans	-62.8	119	174.2	176.4	0	0	0	0	110.7	F681 Y685 R694	F681-S683 PolarHBondContact O-N 2.83Å; S683-Y685 PolarHBondContact O-N 3.29Å; S683-Y685 PolarHBondContact OG-N 2.99Å; S683-R694 WeakPolarHBondContact CB-O 3.17Å; S683-R694 PolarHBondContact N-O 3.46Å
684	Q	91.3	Very high	90	Very high	124 Å²	124	40.4 Å²	40.4	58%	0.579	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.7	175	-61.2	-171.7	-11.7	0	0	112.8	L682	L682-Q684 PolarHBondContact O-N 3.01Å
685	Y	93.3	Very high	90.2	Very high	129 Å²	129	40.2 Å²	40.2	51%	0.506	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	8.4	-174.4	-54.8	-76.4	0	0	0	113.7	S683 L733 W736	S683-Y685 PolarHBondContact O-N 3.29Å; S683-Y685 PolarHBondContact OG-N 2.99Å; Y685-L733 HydrophobicContact CD2-CD2 4.49Å; Y685-L733 HydrophobicContact CG-CD2 4.1Å; Y685-W736 HydrophobicContact CE2-CB 3.69Å
686	V	91.1	Very high	90.3	Very high	34 Å²	34	39.9 Å²	39.9	21%	0.206	19%	0.192	C	C	.	.	S	Bend	trans	-134.6	142.8	178.9	-70.9	0	0	0	0	110.1	R694 H703	V686-R694 HydrophobicContact CG2-CB 4.18Å; V686-R694 HydrophobicContact CG2-CG 3.8Å; V686-R694 WeakPolarHBondContact O-CD 3.48Å; V686-H703 HydrophobicContact CG1-CB 4.41Å
687	S	86.1	Confident	90.4	Very high	48 Å²	48	38 Å²	38	34%	0.336	19%	0.185	S	C	.	.			trans	-73.1	137.1	179.6	-178.1	0	0	0	0	111.3	M689 E690 T691	S687-M689 PolarHBondContact O-N 3.47Å; S687-M689 PolarHBondContact OG-N 2.74Å; S687-E690 PolarHBondContact O-N 2.92Å; S687-T691 CarbonylContact O-C 3.24Å; S687-T691 PolarHBondContact O-N 3.04Å
688	A	80.7	Confident	90.4	Very high	18 Å²	18	38.8 Å²	38.8	15%	0.149	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.2	172	0	0	0	0	0	112.2	F542 P692	F542-A688 HydrophobicContact CE2-CB 4.37Å; A688-P692 WeakPolarHBondContact O-CA 3.4Å; A688-P692 WeakPolarHBondContact O-CB 2.92Å; A688-P692 WeakPolarHBondContact O-CD 3.49Å
689	M	77.8	Confident	90.3	Very high	76 Å²	76	39 Å²	39	37%	0.374	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-42.5	177	-48.7	-67.6	-57.7	0	0	112.1	P297 F299 S687	P297-M689 VanDerWaalsContact O-CE 3.27Å; P297-M689 WeakPolarHBondContact O-CE 3.14Å; P297-M689 VanDerWaalsContact O-SD 3.34Å; F299-M689 HydrophobicContact CD1-CE 3.65Å; F299-M689 HydrophobicContact CD1-SD 4.16Å; F299-M689 HydrophobicContact CE1-CE 3.67Å; S687-M689 PolarHBondContact O-N 3.47Å; S687-M689 PolarHBondContact OG-N 2.74Å
690	E	78.9	Confident	90.1	Very high	142 Å²	142	40.9 Å²	40.9	66%	0.664	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-25.1	-175	-60.6	178.8	156	0	0	112.5	S687	S687-E690 PolarHBondContact O-N 2.92Å
691	T	85.9	Confident	90	Very high	33 Å²	33	39.1 Å²	39.1	20%	0.202	20%	0.2	C	C	.	.			trans	-153.8	75.5	-172.1	-59.7	0	0	0	0	108.2	S687 F693 R694 R700 H703	S687-T691 CarbonylContact O-C 3.24Å; S687-T691 PolarHBondContact O-N 3.04Å; T691-F693 VanDerWaalsContact C-N 3.28Å; T691-F693 PolarHBondContact O-N 3.31Å; T691-R694 WeakPolarHBondContact O-CG 3.22Å; T691-R700 VanDerWaalsContact CG2-O 3.22Å; T691-R700 WeakPolarHBondContact CG2-O 3.39Å; T691-H703 VanDerWaalsContact CG2-CE1 3.43Å; T691-H703 WeakPolarHBondContact CG2-CE1 3.3Å
692	P	85.1	Confident	89.8	Confident	21 Å²	21	42.9 Å²	42.9	14%	0.136	22%	0.22	C	C	.	.	S	Bend	trans	-59	-38.4	-174.6	18.8	-31.3	0	0	0	112.5	F542 A688 R694	F542-P692 HydrophobicContact CD2-CB 3.59Å; F542-P692 VanDerWaalsContact CD2-O 3.25Å; F542-P692 WeakPolarHBondContact CD2-O 3.3Å; F542-P692 HydrophobicContact CE2-CB 3.87Å; A688-P692 WeakPolarHBondContact O-CA 3.4Å; A688-P692 WeakPolarHBondContact O-CB 2.92Å; A688-P692 WeakPolarHBondContact O-CD 3.49Å; P692-R694 PolarHBondContact O-N 2.96Å
693	F	92.4	Very high	89.8	Confident	9 Å²	9	42.8 Å²	42.8	4%	0.039	22%	0.219	C	C	.	.			trans	-80	66.5	-178.2	-51.8	-49.2	0	0	0	112.4	L532 Y537 A541 F542 T691 H695 G699 R700 H703	L532-F693 HydrophobicContact CD1-CD2 4.32Å; L532-F693 HydrophobicContact CD1-CE2 3.43Å; L532-F693 VanDerWaalsContact CD1-CE2 3.43Å; L532-F693 HydrophobicContact CD1-CZ 3.6Å; Y537-F693 HydrophobicContact CD1-CD1 4.35Å; Y537-F693 HydrophobicContact CD1-CE1 4.07Å; Y537-F693 HydrophobicContact CD1-CZ 4.43Å; Y537-F693 AromaticContact CE1-CD1 3.49Å; Y537-F693 HydrophobicContact CE1-CD1 3.49Å; Y537-F693 VanDerWaalsContact CE1-CD1 3.49Å; Y537-F693 HydrophobicContact CE1-CD2 4.05Å; Y537-F693 AromaticContact CE1-CE1 3.49Å; Y537-F693 HydrophobicContact CE1-CE1 3.49Å; Y537-F693 VanDerWaalsContact CE1-CE1 3.49Å; Y537-F693 HydrophobicContact CE1-CE2 4.02Å; Y537-F693 AromaticContact CE1-CG 3.79Å; Y537-F693 HydrophobicContact CE1-CG 3.79Å; Y537-F693 AromaticContact CE1-CZ 3.75Å; Y537-F693 HydrophobicContact CE1-CZ 3.75Å; Y537-F693 WeakPolarHBondContact OH-CG 3.49Å; A541-F693 HydrophobicContact CB-CB 4.31Å; A541-F693 HydrophobicContact CB-CD1 3.99Å; A541-F693 HydrophobicContact CB-CG 4.46Å; A541-F693 CarbonylContact O-C 3.43Å; A541-F693 VanDerWaalsContact O-CA 3.3Å; A541-F693 WeakPolarHBondContact O-CA 3.41Å; F542-F693 HydrophobicContact CB-CD1 4.23Å; F542-F693 HydrophobicContact CB-CE1 4.48Å; T691-F693 VanDerWaalsContact C-N 3.28Å; T691-F693 PolarHBondContact O-N 3.31Å; F693-H695 VanDerWaalsContact C-N 3.28Å; F693-H695 PolarHBondContact O-N 3.42Å; F693-G699 VanDerWaalsContact O-CA 3.31Å; F693-G699 WeakPolarHBondContact O-CA 3.5Å; F693-R700 HydrophobicContact CB-CB 4.4Å; F693-R700 HydrophobicContact CB-CG 4.17Å; F693-R700 HydrophobicContact CD2-CB 4.45Å; F693-R700 HydrophobicContact CD2-CG 3.95Å; F693-R700 HydrophobicContact CG-CG 4.42Å; F693-R700 PolarHBondContact O-N 2.83Å; F693-H703 PolarHBondContact O-NE2 3.44Å; F693-H703 VanDerWaalsContact O-NE2 3.12Å
694	R	93.3	Very high	89.8	Confident	27 Å²	27	42.8 Å²	42.8	10%	0.102	22%	0.219	C	C	.	.			trans	-72.5	-13.6	-172.9	-61.9	-178.7	-68.8	133.3	6.1	114.2	A541 F542 L682 S683 V686 T691 P692 V696 H703	A541-R694 PolarHBondContact O-N 3.03Å; A541-R694 VanDerWaalsContact O-N 3.16Å; F542-R694 PolarHBondContact O-NH2 3.14Å; L682-R694 HydrophobicContact CB-CB 4.34Å; L682-R694 HydrophobicContact CD2-CB 4.46Å; S683-R694 WeakPolarHBondContact CB-O 3.17Å; S683-R694 PolarHBondContact N-O 3.46Å; V686-R694 HydrophobicContact CG2-CB 4.18Å; V686-R694 HydrophobicContact CG2-CG 3.8Å; V686-R694 WeakPolarHBondContact O-CD 3.48Å; T691-R694 WeakPolarHBondContact O-CG 3.22Å; P692-R694 PolarHBondContact O-N 2.96Å; R694-V696 PolarHBondContact O-N 3.45Å; R694-H703 WeakPolarHBondContact CA-NE2 3.37Å; R694-H703 PolarHBondContact O-CD2 2.88Å; R694-H703 PolarHBondContact O-NE2 3.48Å
695	H	95.6	Very high	89.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-60.6	123.9	179.3	-163.6	-74.1	0	0	0	111.9	A541 Y610 E678 F681 L682 F693 I697 H698 G699	A541-H695 PolarHBondContact O-N 3.4Å; Y610-H695 AromaticContact CZ-CE1 3.93Å; Y610-H695 PolarHBondContact OH-CE1 3.14Å; Y610-H695 PolarHBondContact OH-NE2 3.08Å; E678-H695 IonicContact OE1-NE2 3.45Å; E678-H695 PolarHBondContact OE1-NE2 3.3Å; F681-H695 VanDerWaalsContact CB-NE2 3.32Å; F681-H695 WeakPolarHBondContact CB-NE2 3.27Å; F681-H695 CarbonylContact O-C 3.59Å; F681-H695 WeakPolarHBondContact O-CA 3.37Å; L682-H695 HydrophobicContact CD2-CB 3.77Å; F693-H695 VanDerWaalsContact C-N 3.28Å; F693-H695 PolarHBondContact O-N 3.42Å; H695-I697 VanDerWaalsContact C-N 3.3Å; H695-I697 PolarHBondContact ND1-N 2.8Å; H695-I697 VanDerWaalsContact ND1-N 3.19Å; H695-I697 PolarHBondContact O-N 3.4Å; H695-H698 AromaticContact CE1-CD2 3.7Å; H695-H698 AromaticContact ND1-CD2 3.9Å; H695-H698 PolarHBondContact ND1-N 2.93Å; H695-H698 VanDerWaalsContact ND1-N 3.15Å; H695-G699 WeakPolarHBondContact O-CA 3.34Å; H695-G699 PolarHBondContact O-N 3.04Å
696	V	95.1	Very high	89.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.4	-172.1	-63.3	0	0	0	0	114	F681 R694 T704 L705 F734 T737	F681-V696 HydrophobicContact CB-CG2 4.36Å; F681-V696 HydrophobicContact CD1-CG2 3.76Å; F681-V696 PolarHBondContact O-N 3.1Å; R694-V696 PolarHBondContact O-N 3.45Å; V696-T704 CarbonylContact O-C 3.59Å; V696-T704 VanDerWaalsContact O-CA 3.22Å; V696-T704 WeakPolarHBondContact O-CA 3.16Å; V696-T704 WeakPolarHBondContact O-CB 3.49Å; V696-L705 PolarHBondContact O-N 3.16Å; V696-F734 HydrophobicContact CB-CD2 3.73Å; V696-F734 HydrophobicContact CB-CE2 3.71Å; V696-F734 HydrophobicContact CG1-CD2 4.39Å; V696-F734 HydrophobicContact CG2-CD2 4.11Å; V696-F734 HydrophobicContact CG2-CE2 3.7Å; V696-F734 HydrophobicContact CG2-CZ 4.37Å; V696-T737 HydrophobicContact CG1-CG2 3.72Å; V696-T737 HydrophobicContact CG2-CG2 4.39Å
697	I	92.5	Very high	89.7	Confident	23 Å²	23	34.1 Å²	34.1	12%	0.118	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-64.2	174.2	-53	-144.9	0	0	0	111.8	Y610 T613 V614 H695 L705	Y610-I697 HydrophobicContact CD1-CD1 3.59Å; Y610-I697 HydrophobicContact CD1-CG1 4.36Å; Y610-I697 HydrophobicContact CE1-CB 4.25Å; Y610-I697 HydrophobicContact CE1-CD1 3.7Å; Y610-I697 HydrophobicContact CE1-CG1 4.07Å; Y610-I697 HydrophobicContact CE1-CG2 4.49Å; T613-I697 HydrophobicContact CG2-CD1 3.6Å; T613-I697 HydrophobicContact CG2-CG2 4.07Å; V614-I697 HydrophobicContact CG2-CD1 4.35Å; H695-I697 VanDerWaalsContact C-N 3.3Å; H695-I697 PolarHBondContact ND1-N 2.8Å; H695-I697 VanDerWaalsContact ND1-N 3.19Å; H695-I697 PolarHBondContact O-N 3.4Å; I697-L705 HydrophobicContact CD1-CD2 4.27Å; I697-L705 HydrophobicContact CG2-CD2 4.22Å
698	H	92.4	Very high	90	Very high	21 Å²	21	31.9 Å²	31.9	10%	0.097	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.9	-176.6	-63.4	-69.4	0	0	0	116.4	P490 Y537 T540 H695	P490-H698 WeakPolarHBondContact CD-NE2 3.49Å; Y537-H698 VanDerWaalsContact CE2-O 3.28Å; Y537-H698 WeakPolarHBondContact CE2-O 3.31Å; Y537-H698 PolarHBondContact OH-O 2.94Å; T540-H698 HydrophobicContact CG2-CB 4.34Å; H695-H698 AromaticContact CE1-CD2 3.7Å; H695-H698 AromaticContact ND1-CD2 3.9Å; H695-H698 PolarHBondContact ND1-N 2.93Å; H695-H698 VanDerWaalsContact ND1-N 3.15Å
699	G	93.2	Very high	90.6	Very high	6 Å²	6	32.6 Å²	32.6	6%	0.062	18%	0.178	C	C	.	.	S	Bend	trans	-84.4	-166.9	-173.7	0	0	0	0	0	114.8	F693 H695	F693-G699 VanDerWaalsContact O-CA 3.31Å; F693-G699 WeakPolarHBondContact O-CA 3.5Å; H695-G699 WeakPolarHBondContact O-CA 3.34Å; H695-G699 PolarHBondContact O-N 3.04Å
700	R	89.9	Confident	91.1	Very high	78 Å²	78	34.4 Å²	34.4	29%	0.294	19%	0.185	S	C	.	.			trans	-136.6	128.2	-177.2	-36.7	-168.2	72.2	138.8	12.2	110.3	E246 Y537 T691 F693 H703	E246-R700 IonicContact OE1-CZ 2.82Å; E246-R700 IonicContact OE1-NH1 3.74Å; E246-R700 PolarHBondContact OE1-NH1 3Å; E246-R700 IonicContact OE1-NH2 3.2Å; E246-R700 PolarHBondContact OE1-NH2 2.95Å; Y537-R700 WeakPolarHBondContact OH-CG 3.36Å; T691-R700 VanDerWaalsContact CG2-O 3.22Å; T691-R700 WeakPolarHBondContact CG2-O 3.39Å; F693-R700 HydrophobicContact CB-CB 4.4Å; F693-R700 HydrophobicContact CB-CG 4.17Å; F693-R700 HydrophobicContact CD2-CB 4.45Å; F693-R700 HydrophobicContact CD2-CG 3.95Å; F693-R700 HydrophobicContact CG-CG 4.42Å; F693-R700 PolarHBondContact O-N 2.83Å; R700-H703 PolarHBondContact O-CE1 3.23Å
701	G	90.1	Very high	91.7	Very high	30 Å²	30	27.8 Å²	27.8	31%	0.309	15%	0.154	S	C	.	.	S	Bend	trans	150.4	-178.3	177.2	0	0	0	0	0	111.9	H703 T704 A707	G701-H703 PolarHBondContact O-N 3.47Å; G701-T704 PolarHBondContact O-N 2.93Å; G701-T704 PolarHBondContact O-OG1 3.39Å; G701-A707 WeakPolarHBondContact O-CB 3.42Å
702	N	91.9	Very high	92	Very high	79 Å²	79	26.5 Å²	26.5	42%	0.422	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21	-179.8	-76.1	-59.2	0	0	0	113.1	T704 R726 Q730	N702-T704 VanDerWaalsContact C-N 3.27Å; N702-T704 PolarHBondContact O-N 3.49Å; N702-R726 PolarHBondContact OD1-NE 2.99Å; N702-R726 PolarHBondContact OD1-NH2 3.4Å; N702-Q730 HydrophobicContact CB-CG 4.17Å; N702-Q730 WeakPolarHBondContact O-CB 3.37Å; N702-Q730 WeakPolarHBondContact O-CG 3.29Å; N702-Q730 PolarHBondContact O-NE2 2.81Å
703	H	94.2	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7	179	59.4	-71.2	0	0	0	114.7	V686 T691 F693 R694 R700 G701 L733	V686-H703 HydrophobicContact CG1-CB 4.41Å; T691-H703 VanDerWaalsContact CG2-CE1 3.43Å; T691-H703 WeakPolarHBondContact CG2-CE1 3.3Å; F693-H703 PolarHBondContact O-NE2 3.44Å; F693-H703 VanDerWaalsContact O-NE2 3.12Å; R694-H703 WeakPolarHBondContact CA-NE2 3.37Å; R694-H703 PolarHBondContact O-CD2 2.88Å; R694-H703 PolarHBondContact O-NE2 3.48Å; R700-H703 PolarHBondContact O-CE1 3.23Å; G701-H703 PolarHBondContact O-N 3.47Å; H703-L733 HydrophobicContact CB-CB 4.11Å; H703-L733 HydrophobicContact CB-CD1 4.29Å
704	T	94.5	Very high	92.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	17%	0.165	C	C	.	.	S	Bend	trans	-90.3	155.3	-168.5	71.6	0	0	0	0	114.4	V696 G701 N702 S706 A707 L708	V696-T704 CarbonylContact O-C 3.59Å; V696-T704 VanDerWaalsContact O-CA 3.22Å; V696-T704 WeakPolarHBondContact O-CA 3.16Å; V696-T704 WeakPolarHBondContact O-CB 3.49Å; G701-T704 PolarHBondContact O-N 2.93Å; G701-T704 PolarHBondContact O-OG1 3.39Å; N702-T704 VanDerWaalsContact C-N 3.27Å; N702-T704 PolarHBondContact O-N 3.49Å; T704-S706 VanDerWaalsContact C-N 3.28Å; T704-S706 PolarHBondContact O-N 2.89Å; T704-S706 PolarHBondContact OG1-OG 2.9Å; T704-A707 PolarHBondContact O-N 3.01Å; T704-A707 WeakPolarHBondContact OG1-CB 3.16Å; T704-A707 PolarHBondContact OG1-N 2.64Å; T704-A707 VanDerWaalsContact OG1-N 3.12Å; T704-L708 WeakPolarHBondContact O-CB 3.4Å; T704-L708 PolarHBondContact O-N 2.99Å
705	L	92.4	Very high	91.9	Very high	27 Å²	27	28.8 Å²	28.8	14%	0.141	16%	0.162	C	C	.	.	H	α-helix	trans	-50.4	-48.5	167.4	173.8	58.2	0	0	0	111.4	T613 L617 V696 I697 L708 T709 F734	T613-L705 HydrophobicContact CG2-CD2 4.22Å; L617-L705 HydrophobicContact CB-CD1 3.73Å; L617-L705 HydrophobicContact CD1-CD1 4.39Å; L617-L705 HydrophobicContact CD2-CD1 3.67Å; L617-L705 HydrophobicContact CG-CD1 4.11Å; V696-L705 PolarHBondContact O-N 3.16Å; I697-L705 HydrophobicContact CD1-CD2 4.27Å; I697-L705 HydrophobicContact CG2-CD2 4.22Å; L705-L708 PolarHBondContact O-N 2.71Å; L705-T709 WeakPolarHBondContact O-CB 3.41Å; L705-T709 PolarHBondContact O-N 2.82Å; L705-T709 PolarHBondContact O-OG1 3.1Å; L705-F734 HydrophobicContact CB-CD2 4.41Å; L705-F734 HydrophobicContact CB-CE2 3.7Å; L705-F734 HydrophobicContact CB-CZ 4.28Å
706	S	90.4	Very high	91.4	Very high	67 Å²	67	33.3 Å²	33.3	47%	0.469	19%	0.19	S	C	.	.	H	α-helix	trans	-60.2	-49.4	-179.1	45.8	0	0	0	0	112.4	T704 L708 T709 E710	T704-S706 VanDerWaalsContact C-N 3.28Å; T704-S706 PolarHBondContact O-N 2.89Å; T704-S706 PolarHBondContact OG1-OG 2.9Å; S706-L708 VanDerWaalsContact C-N 3.3Å; S706-L708 PolarHBondContact O-N 3.06Å; S706-T709 PolarHBondContact O-N 3.44Å; S706-E710 WeakPolarHBondContact O-CB 3.17Å; S706-E710 PolarHBondContact O-N 2.72Å
707	A	91.6	Very high	90.9	Very high	11 Å²	11	37.1 Å²	37.1	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-26.5	-179.9	0	0	0	0	0	113	G701 T704 H711 Q730	G701-A707 WeakPolarHBondContact O-CB 3.42Å; T704-A707 PolarHBondContact O-N 3.01Å; T704-A707 WeakPolarHBondContact OG1-CB 3.16Å; T704-A707 PolarHBondContact OG1-N 2.64Å; T704-A707 VanDerWaalsContact OG1-N 3.12Å; A707-H711 WeakPolarHBondContact O-CB 3.38Å; A707-H711 PolarHBondContact O-N 3.07Å; A707-Q730 PolarHBondContact O-NE2 3.08Å
708	L	93.2	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-77.3	-42.8	174.8	-174.9	142.9	0	0	0	111.8	L617 T704 L705 S706 H711 L712 F727 Q730 L731	L617-L708 HydrophobicContact CD1-CD2 3.41Å; L617-L708 VanDerWaalsContact CD1-CD2 3.41Å; L617-L708 HydrophobicContact CD2-CD2 3.94Å; L617-L708 HydrophobicContact CG-CD2 4.29Å; T704-L708 WeakPolarHBondContact O-CB 3.4Å; T704-L708 PolarHBondContact O-N 2.99Å; L705-L708 PolarHBondContact O-N 2.71Å; S706-L708 VanDerWaalsContact C-N 3.3Å; S706-L708 PolarHBondContact O-N 3.06Å; L708-H711 PolarHBondContact O-N 3.36Å; L708-L712 WeakPolarHBondContact O-CB 3.38Å; L708-L712 PolarHBondContact O-N 3.03Å; L708-F727 HydrophobicContact CD2-CE2 4.33Å; L708-F727 HydrophobicContact CD2-CZ 4.49Å; L708-F727 HydrophobicContact CG-CE2 4Å; L708-F727 HydrophobicContact CG-CZ 4.45Å; L708-Q730 HydrophobicContact CB-CB 4.48Å; L708-Q730 HydrophobicContact CD1-CB 4.08Å; L708-L731 HydrophobicContact CD1-CB 3.89Å; L708-L731 HydrophobicContact CD1-CD1 4.03Å
709	T	91.4	Very high	90.2	Very high	33 Å²	33	41.5 Å²	41.5	20%	0.202	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-43.6	173.9	-67.1	0	0	0	0	111.3	Q620 L705 S706 H711 L712 T713	Q620-T709 PolarHBondContact OE1-OG1 2.96Å; L705-T709 WeakPolarHBondContact O-CB 3.41Å; L705-T709 PolarHBondContact O-N 2.82Å; L705-T709 PolarHBondContact O-OG1 3.1Å; S706-T709 PolarHBondContact O-N 3.44Å; T709-H711 VanDerWaalsContact C-N 3.33Å; T709-H711 PolarHBondContact O-N 3.02Å; T709-L712 WeakPolarHBondContact O-CB 3.34Å; T709-L712 PolarHBondContact O-N 3.33Å; T709-T713 WeakPolarHBondContact O-CG2 3.36Å; T709-T713 PolarHBondContact O-N 3.05Å; T709-T713 VanDerWaalsContact O-N 3.14Å
710	E	89.5	Confident	89.8	Confident	114 Å²	114	44.8 Å²	44.8	53%	0.533	28%	0.279	S	S	.	.	H	α-helix	trans	-53.2	-51.6	173.9	-175.3	-166.2	170	0	0	110.6	S706 L712 T713	S706-E710 WeakPolarHBondContact O-CB 3.17Å; S706-E710 PolarHBondContact O-N 2.72Å; E710-L712 PolarHBondContact O-N 3.3Å; E710-T713 PolarHBondContact O-N 3.42Å; E710-T713 VanDerWaalsContact O-N 3.15Å; E710-T713 PolarHBondContact O-OG1 3.38Å
711	H	92.2	Very high	89.7	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-37.9	180	-160.4	171	0	0	0	112.2	A707 L708 T709 T713 L714 F722 D723 F727 Q730	A707-H711 WeakPolarHBondContact O-CB 3.38Å; A707-H711 PolarHBondContact O-N 3.07Å; L708-H711 PolarHBondContact O-N 3.36Å; T709-H711 VanDerWaalsContact C-N 3.33Å; T709-H711 PolarHBondContact O-N 3.02Å; H711-T713 PolarHBondContact O-N 3.39Å; H711-L714 WeakPolarHBondContact O-CB 3.35Å; H711-L714 PolarHBondContact O-N 3.46Å; H711-L714 VanDerWaalsContact O-N 3.07Å; H711-F722 AromaticContact CD2-CD2 3.53Å; H711-F722 AromaticContact CD2-CE2 3.84Å; H711-F722 AromaticContact NE2-CD2 3.79Å; H711-F722 WeakPolarHBondContact O-CD2 3.35Å; H711-D723 PolarHBondContact CE1-O 2.67Å; H711-D723 PolarHBondContact NE2-N 3.12Å; H711-F727 HydrophobicContact CB-CD2 4.08Å; H711-F727 AromaticContact CG-CD2 3.96Å; H711-Q730 PolarHBondContact ND1-OE1 3.04Å
712	L	91.7	Very high	89.8	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-32.9	175.1	-171.3	67.1	0	0	0	112.3	Q620 L621 H624 L628 L708 T709 E710 L714 L715 F727	Q620-L712 HydrophobicContact CB-CD2 3.9Å; L621-L712 HydrophobicContact CD2-CD1 3.9Å; L621-L712 HydrophobicContact CD2-CD2 3.81Å; L621-L712 HydrophobicContact CD2-CG 4.49Å; L621-L712 HydrophobicContact CG-CD2 4.23Å; H624-L712 HydrophobicContact CB-CD1 4.17Å; L628-L712 HydrophobicContact CD1-CD1 4.23Å; L628-L712 HydrophobicContact CD2-CD1 4.45Å; L708-L712 WeakPolarHBondContact O-CB 3.38Å; L708-L712 PolarHBondContact O-N 3.03Å; T709-L712 WeakPolarHBondContact O-CB 3.34Å; T709-L712 PolarHBondContact O-N 3.33Å; E710-L712 PolarHBondContact O-N 3.3Å; L712-L714 PolarHBondContact O-N 3.38Å; L712-L715 HydrophobicContact CD1-CD1 3.67Å; L712-L715 WeakPolarHBondContact O-CB 3.42Å; L712-L715 PolarHBondContact O-N 2.74Å; L712-F727 HydrophobicContact CB-CE2 4.13Å; L712-F727 HydrophobicContact CD1-CE2 4.17Å; L712-F727 HydrophobicContact CD1-CZ 3.9Å
713	T	89.7	Confident	89.8	Confident	68 Å²	68	46.3 Å²	46.3	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-25.8	176.9	72	0	0	0	0	113.5	T709 E710 H711 L715 T716 S717	T709-T713 WeakPolarHBondContact O-CG2 3.36Å; T709-T713 PolarHBondContact O-N 3.05Å; T709-T713 VanDerWaalsContact O-N 3.14Å; E710-T713 PolarHBondContact O-N 3.42Å; E710-T713 VanDerWaalsContact O-N 3.15Å; E710-T713 PolarHBondContact O-OG1 3.38Å; H711-T713 PolarHBondContact O-N 3.39Å; T713-L715 PolarHBondContact O-N 3.4Å; T713-T716 PolarHBondContact O-N 2.7Å; T713-T716 PolarHBondContact O-OG1 2.82Å; T713-S717 PolarHBondContact O-N 3.27Å; T713-S717 PolarHBondContact O-OG 3.33Å
714	L	89.6	Confident	89.8	Confident	30 Å²	30	49.6 Å²	49.6	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-27.3	179.8	-59.9	-173.5	0	0	0	112.5	H711 L712 T716 S717 D718 P719 R721 F722	H711-L714 WeakPolarHBondContact O-CB 3.35Å; H711-L714 PolarHBondContact O-N 3.46Å; H711-L714 VanDerWaalsContact O-N 3.07Å; L712-L714 PolarHBondContact O-N 3.38Å; L714-T716 PolarHBondContact O-N 2.76Å; L714-S717 WeakPolarHBondContact CA-OG 3.34Å; L714-S717 PolarHBondContact O-N 3.1Å; L714-D718 CarbonylContact O-C 3.46Å; L714-D718 PolarHBondContact O-N 3Å; L714-D718 VanDerWaalsContact O-O 3.11Å; L714-P719 WeakPolarHBondContact O-CA 3.26Å; L714-P719 VanDerWaalsContact O-N 3.16Å; L714-R721 HydrophobicContact CD1-CB 4.15Å; L714-R721 WeakPolarHBondContact CD1-O 3.3Å; L714-F722 HydrophobicContact CB-CB 4.33Å; L714-F722 HydrophobicContact CB-CD2 4.31Å
715	L	88.2	Confident	89.7	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-52.8	-29.4	170.6	-65.5	-178.5	0	0	0	113	H624 E627 L628 L712 T713 F722	H624-L715 HydrophobicContact CB-CD1 3.95Å; E627-L715 WeakPolarHBondContact OE1-CD2 3.44Å; L628-L715 HydrophobicContact CD2-CD1 4.08Å; L628-L715 HydrophobicContact CG-CD1 4.39Å; L712-L715 HydrophobicContact CD1-CD1 3.67Å; L712-L715 WeakPolarHBondContact O-CB 3.42Å; L712-L715 PolarHBondContact O-N 2.74Å; T713-L715 PolarHBondContact O-N 3.4Å; L715-F722 HydrophobicContact CD1-CE2 4.37Å; L715-F722 HydrophobicContact CD2-CB 4.3Å; L715-F722 HydrophobicContact CD2-CD1 3.61Å; L715-F722 HydrophobicContact CD2-CD2 3.47Å; L715-F722 VanDerWaalsContact CD2-CD2 3.47Å; L715-F722 HydrophobicContact CD2-CE1 3.67Å; L715-F722 HydrophobicContact CD2-CE2 3.55Å; L715-F722 HydrophobicContact CD2-CG 3.51Å; L715-F722 HydrophobicContact CD2-CZ 3.64Å; L715-F722 HydrophobicContact CG-CD2 3.77Å; L715-F722 HydrophobicContact CG-CE2 3.7Å; L715-F722 HydrophobicContact CG-CG 4.31Å; L715-F722 HydrophobicContact CG-CZ 4.15Å
716	T	85.9	Confident	89.8	Confident	96 Å²	96	58.1 Å²	58.1	59%	0.589	33%	0.33	S	S	*	.	H	α-helix	trans	-109.3	-25.7	-179.1	49	0	0	0	0	115.1	T713 L714	T713-T716 PolarHBondContact O-N 2.7Å; T713-T716 PolarHBondContact O-OG1 2.82Å; L714-T716 PolarHBondContact O-N 2.76Å
717	S	84.9	Confident	90	Very high	79 Å²	79	55 Å²	55	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-101.3	-34.8	-173.3	57.2	0	0	0	0	113.8	T713 L714	T713-S717 PolarHBondContact O-N 3.27Å; T713-S717 PolarHBondContact O-OG 3.33Å; L714-S717 WeakPolarHBondContact CA-OG 3.34Å; L714-S717 PolarHBondContact O-N 3.1Å
718	D	83.8	Confident	90.1	Very high	63 Å²	63	59 Å²	59	34%	0.337	32%	0.321	S	S	.	.			trans	-155.1	82.1	174.7	-170.3	-22.6	0	0	0	109.5	L714 G720 R721	L714-D718 CarbonylContact O-C 3.46Å; L714-D718 PolarHBondContact O-N 3Å; L714-D718 VanDerWaalsContact O-O 3.11Å; D718-G720 PolarHBondContact O-N 2.99Å; D718-G720 VanDerWaalsContact O-N 3.09Å; D718-G720 PolarHBondContact OD1-N 3.48Å; D718-R721 HydrophobicContact CB-CB 4.34Å; D718-R721 HydrophobicContact CB-CG 4.47Å; D718-R721 PolarHBondContact O-N 3.42Å; D718-R721 PolarHBondContact OD1-N 3.06Å; D718-R721 WeakPolarHBondContact OD2-CD 3.44Å; D718-R721 WeakPolarHBondContact OD2-CG 3.47Å
719	P	85.1	Confident	90.2	Very high	73 Å²	73	67.6 Å²	67.6	47%	0.474	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-62.9	-19.3	-173.9	-22.6	33	0	0	0	113.7	L714 R721	L714-P719 WeakPolarHBondContact O-CA 3.26Å; L714-P719 VanDerWaalsContact O-N 3.16Å; P719-R721 VanDerWaalsContact C-N 3.3Å
720	G	86.7	Confident	90.3	Very high	76 Å²	76	66.1 Å²	66.1	78%	0.784	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-76.6	-14.2	175.8	0	0	0	0	0	113.8	D718	D718-G720 PolarHBondContact O-N 2.99Å; D718-G720 VanDerWaalsContact O-N 3.09Å; D718-G720 PolarHBondContact OD1-N 3.48Å
721	R	87.2	Confident	90.6	Very high	131 Å²	131	61.3 Å²	61.3	49%	0.494	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-102.3	1.9	176.1	-68.9	179.9	67.4	-158.2	-6.3	114.2	L714 D718 P719 D723	L714-R721 HydrophobicContact CD1-CB 4.15Å; L714-R721 WeakPolarHBondContact CD1-O 3.3Å; D718-R721 HydrophobicContact CB-CB 4.34Å; D718-R721 HydrophobicContact CB-CG 4.47Å; D718-R721 PolarHBondContact O-N 3.42Å; D718-R721 PolarHBondContact OD1-N 3.06Å; D718-R721 WeakPolarHBondContact OD2-CD 3.44Å; D718-R721 WeakPolarHBondContact OD2-CG 3.47Å; P719-R721 VanDerWaalsContact C-N 3.3Å; R721-D723 PolarHBondContact O-N 2.83Å
722	F	91.6	Very high	90.7	Very high	15 Å²	15	63.1 Å²	63.1	7%	0.066	34%	0.337	C	S	.	.			trans	-77	107.2	175.2	-172.8	-95.2	0	0	0	110.9	L628 H711 L714 L715 E724 F727	L628-F722 HydrophobicContact CD2-CZ 4.25Å; H711-F722 AromaticContact CD2-CD2 3.53Å; H711-F722 AromaticContact CD2-CE2 3.84Å; H711-F722 AromaticContact NE2-CD2 3.79Å; H711-F722 WeakPolarHBondContact O-CD2 3.35Å; L714-F722 HydrophobicContact CB-CB 4.33Å; L714-F722 HydrophobicContact CB-CD2 4.31Å; L715-F722 HydrophobicContact CD1-CE2 4.37Å; L715-F722 HydrophobicContact CD2-CB 4.3Å; L715-F722 HydrophobicContact CD2-CD1 3.61Å; L715-F722 HydrophobicContact CD2-CD2 3.47Å; L715-F722 VanDerWaalsContact CD2-CD2 3.47Å; L715-F722 HydrophobicContact CD2-CE1 3.67Å; L715-F722 HydrophobicContact CD2-CE2 3.55Å; L715-F722 HydrophobicContact CD2-CG 3.51Å; L715-F722 HydrophobicContact CD2-CZ 3.64Å; L715-F722 HydrophobicContact CG-CD2 3.77Å; L715-F722 HydrophobicContact CG-CE2 3.7Å; L715-F722 HydrophobicContact CG-CG 4.31Å; L715-F722 HydrophobicContact CG-CZ 4.15Å; F722-E724 HydrophobicContact CD1-CG 3.76Å; F722-E724 HydrophobicContact CE1-CB 4.48Å; F722-E724 HydrophobicContact CE1-CG 3.74Å; F722-E724 PolarHBondContact O-N 2.83Å; F722-F727 HydrophobicContact CE1-CB 4.24Å; F722-F727 HydrophobicContact CE1-CG 4.39Å; F722-F727 HydrophobicContact CE2-CB 4.13Å; F722-F727 HydrophobicContact CE2-CD1 4.45Å; F722-F727 AromaticContact CE2-CD2 3.75Å; F722-F727 HydrophobicContact CE2-CD2 3.75Å; F722-F727 HydrophobicContact CE2-CE2 4.29Å; F722-F727 AromaticContact CE2-CG 3.85Å; F722-F727 HydrophobicContact CE2-CG 3.85Å; F722-F727 HydrophobicContact CZ-CB 3.66Å; F722-F727 AromaticContact CZ-CD1 3.71Å; F722-F727 HydrophobicContact CZ-CD1 3.71Å; F722-F727 AromaticContact CZ-CD2 3.83Å; F722-F727 HydrophobicContact CZ-CD2 3.83Å; F722-F727 HydrophobicContact CZ-CE1 4.32Å; F722-F727 HydrophobicContact CZ-CE2 4.42Å; F722-F727 AromaticContact CZ-CG 3.43Å; F722-F727 HydrophobicContact CZ-CG 3.43Å; F722-F727 VanDerWaalsContact CZ-CG 3.43Å
723	D	92.7	Very high	90.9	Very high	73 Å²	73	64.1 Å²	64.1	39%	0.39	34%	0.343	S	S	.	.			trans	-89.8	101	176.4	173.3	-5.1	0	0	0	109.8	H711 R721 N725 R726 F727	H711-D723 PolarHBondContact CE1-O 2.67Å; H711-D723 PolarHBondContact NE2-N 3.12Å; R721-D723 PolarHBondContact O-N 2.83Å; D723-N725 VanDerWaalsContact C-N 3.26Å; D723-N725 PolarHBondContact O-N 3.1Å; D723-N725 WeakPolarHBondContact OD1-CA 3.08Å; D723-N725 WeakPolarHBondContact OD1-CB 3.41Å; D723-N725 PolarHBondContact OD1-N 3.31Å; D723-R726 HydrophobicContact CB-CB 3.94Å; D723-R726 PolarHBondContact O-N 3.45Å; D723-R726 PolarHBondContact OD1-N 2.85Å; D723-R726 WeakPolarHBondContact OD2-CB 3.48Å; D723-F727 WeakPolarHBondContact O-CB 3.24Å; D723-F727 PolarHBondContact O-N 3.36Å
724	E	92.8	Very high	91.2	Very high	68 Å²	68	60.9 Å²	60.9	32%	0.318	32%	0.323	S	S	.	.	H	α-helix	trans	-58.4	-34.6	-179.2	-66.4	169.1	177.4	0	0	112.9	R631 F722 R728	R631-E724 HydrophobicContact CB-CG 4.48Å; R631-E724 VanDerWaalsContact CD-OE1 3.28Å; R631-E724 WeakPolarHBondContact CD-OE1 3.45Å; R631-E724 VanDerWaalsContact CG-OE1 3.27Å; R631-E724 WeakPolarHBondContact CG-OE1 3.48Å; R631-E724 IonicContact CZ-OE1 3.73Å; R631-E724 IonicContact NE-OE1 3.89Å; R631-E724 IonicContact NH1-OE1 2.78Å; R631-E724 PolarHBondContact NH1-OE1 2.95Å; F722-E724 HydrophobicContact CD1-CG 3.76Å; F722-E724 HydrophobicContact CE1-CB 4.48Å; F722-E724 HydrophobicContact CE1-CG 3.74Å; F722-E724 PolarHBondContact O-N 2.83Å; E724-R728 VanDerWaalsContact O-CB 3.32Å; E724-R728 WeakPolarHBondContact O-CB 3.33Å; E724-R728 VanDerWaalsContact O-CD 3.31Å; E724-R728 WeakPolarHBondContact O-CD 3.28Å; E724-R728 WeakPolarHBondContact O-CG 3.15Å; E724-R728 PolarHBondContact O-N 2.84Å
725	N	93.5	Very high	91.4	Very high	124 Å²	124	59.9 Å²	59.9	66%	0.663	32%	0.318	S	S	*	.	H	α-helix	trans	-75	-41.6	-179.5	-72.8	-51.6	0	0	0	111.5	D723 R729	D723-N725 VanDerWaalsContact C-N 3.26Å; D723-N725 PolarHBondContact O-N 3.1Å; D723-N725 WeakPolarHBondContact OD1-CA 3.08Å; D723-N725 WeakPolarHBondContact OD1-CB 3.41Å; D723-N725 PolarHBondContact OD1-N 3.31Å; N725-R729 PolarHBondContact O-N 2.87Å; N725-R729 VanDerWaalsContact O-N 3.15Å
726	R	93.9	Very high	91.8	Very high	84 Å²	84	66.1 Å²	66.1	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-48.1	171	177.3	176.9	177.1	-128.6	-6.9	110.4	N702 D723 R728 R729 Q730	N702-R726 PolarHBondContact OD1-NE 2.99Å; N702-R726 PolarHBondContact OD1-NH2 3.4Å; D723-R726 HydrophobicContact CB-CB 3.94Å; D723-R726 PolarHBondContact O-N 3.45Å; D723-R726 PolarHBondContact OD1-N 2.85Å; D723-R726 WeakPolarHBondContact OD2-CB 3.48Å; R726-R728 PolarHBondContact O-N 3.34Å; R726-R729 WeakPolarHBondContact O-CA 3.29Å; R726-R729 WeakPolarHBondContact O-CB 3.41Å; R726-R729 PolarHBondContact O-N 3.23Å; R726-Q730 HydrophobicContact CG-CG 4.35Å; R726-Q730 WeakPolarHBondContact O-CG 3.28Å; R726-Q730 PolarHBondContact O-N 3.49Å
727	F	94.4	Very high	92.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-45.7	179.5	-173.9	-97.2	0	0	0	112.3	L621 L628 V633 L708 H711 L712 F722 D723 R729 Q730 L731	L621-F727 HydrophobicContact CD2-CZ 3.92Å; L628-F727 HydrophobicContact CD2-CD1 4.2Å; L628-F727 HydrophobicContact CD2-CE1 3.62Å; L628-F727 HydrophobicContact CD2-CZ 4.21Å; V633-F727 HydrophobicContact CG1-CD1 4.12Å; V633-F727 HydrophobicContact CG1-CE1 4.05Å; L708-F727 HydrophobicContact CD2-CE2 4.33Å; L708-F727 HydrophobicContact CD2-CZ 4.49Å; L708-F727 HydrophobicContact CG-CE2 4Å; L708-F727 HydrophobicContact CG-CZ 4.45Å; H711-F727 HydrophobicContact CB-CD2 4.08Å; H711-F727 AromaticContact CG-CD2 3.96Å; L712-F727 HydrophobicContact CB-CE2 4.13Å; L712-F727 HydrophobicContact CD1-CE2 4.17Å; L712-F727 HydrophobicContact CD1-CZ 3.9Å; F722-F727 HydrophobicContact CE1-CB 4.24Å; F722-F727 HydrophobicContact CE1-CG 4.39Å; F722-F727 HydrophobicContact CE2-CB 4.13Å; F722-F727 HydrophobicContact CE2-CD1 4.45Å; F722-F727 AromaticContact CE2-CD2 3.75Å; F722-F727 HydrophobicContact CE2-CD2 3.75Å; F722-F727 HydrophobicContact CE2-CE2 4.29Å; F722-F727 AromaticContact CE2-CG 3.85Å; F722-F727 HydrophobicContact CE2-CG 3.85Å; F722-F727 HydrophobicContact CZ-CB 3.66Å; F722-F727 AromaticContact CZ-CD1 3.71Å; F722-F727 HydrophobicContact CZ-CD1 3.71Å; F722-F727 AromaticContact CZ-CD2 3.83Å; F722-F727 HydrophobicContact CZ-CD2 3.83Å; F722-F727 HydrophobicContact CZ-CE1 4.32Å; F722-F727 HydrophobicContact CZ-CE2 4.42Å; F722-F727 AromaticContact CZ-CG 3.43Å; F722-F727 HydrophobicContact CZ-CG 3.43Å; F722-F727 VanDerWaalsContact CZ-CG 3.43Å; D723-F727 WeakPolarHBondContact O-CB 3.24Å; D723-F727 PolarHBondContact O-N 3.36Å; F727-R729 VanDerWaalsContact C-N 3.29Å; F727-R729 PolarHBondContact O-N 3.16Å; F727-Q730 PolarHBondContact O-N 2.92Å; F727-L731 HydrophobicContact CE1-CD2 4.31Å; F727-L731 WeakPolarHBondContact O-CB 3.38Å; F727-L731 PolarHBondContact O-N 3.03Å
728	R	94.3	Very high	92.7	Very high	97 Å²	97	58 Å²	58	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-53.9	-44	172	-76	165	-174.3	-79.1	3.4	112.1	R631 G632 V633 E724 R726 A732	R631-R728 PolarHBondContact O-NH2 3.16Å; G632-R728 VanDerWaalsContact O-CZ 3.31Å; G632-R728 PolarHBondContact O-NH1 2.81Å; G632-R728 PolarHBondContact O-NH2 2.71Å; V633-R728 HydrophobicContact CG2-CG 3.89Å; E724-R728 VanDerWaalsContact O-CB 3.32Å; E724-R728 WeakPolarHBondContact O-CB 3.33Å; E724-R728 VanDerWaalsContact O-CD 3.31Å; E724-R728 WeakPolarHBondContact O-CD 3.28Å; E724-R728 WeakPolarHBondContact O-CG 3.15Å; E724-R728 PolarHBondContact O-N 2.84Å; R726-R728 PolarHBondContact O-N 3.34Å; R728-A732 WeakPolarHBondContact O-CB 3.37Å; R728-A732 PolarHBondContact O-N 3.25Å
729	R	94.6	Very high	93.2	Very high	180 Å²	180	56.2 Å²	56.2	68%	0.679	28%	0.278	S	S	*	.	H	α-helix	trans	-65.3	-46.1	178.2	-167.3	-176.7	-61	-169.6	1.6	111.8	N725 R726 F727 L731 A732 L733	N725-R729 PolarHBondContact O-N 2.87Å; N725-R729 VanDerWaalsContact O-N 3.15Å; R726-R729 WeakPolarHBondContact O-CA 3.29Å; R726-R729 WeakPolarHBondContact O-CB 3.41Å; R726-R729 PolarHBondContact O-N 3.23Å; F727-R729 VanDerWaalsContact C-N 3.29Å; F727-R729 PolarHBondContact O-N 3.16Å; R729-L731 PolarHBondContact O-N 2.77Å; R729-A732 PolarHBondContact O-N 2.67Å; R729-L733 HydrophobicContact CG-CD1 4.06Å; R729-L733 HydrophobicContact CG-CG 4.45Å; R729-L733 WeakPolarHBondContact O-CB 3.43Å; R729-L733 WeakPolarHBondContact O-CG 3.48Å; R729-L733 PolarHBondContact O-N 3.42Å
730	Q	95.3	Very high	93.6	Very high	2 Å²	2	54 Å²	54	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-46	177.3	-60.3	-177.7	-95.3	0	0	111.3	N702 A707 L708 H711 R726 F727 A732 L733 F734	N702-Q730 HydrophobicContact CB-CG 4.17Å; N702-Q730 WeakPolarHBondContact O-CB 3.37Å; N702-Q730 WeakPolarHBondContact O-CG 3.29Å; N702-Q730 PolarHBondContact O-NE2 2.81Å; A707-Q730 PolarHBondContact O-NE2 3.08Å; L708-Q730 HydrophobicContact CB-CB 4.48Å; L708-Q730 HydrophobicContact CD1-CB 4.08Å; H711-Q730 PolarHBondContact ND1-OE1 3.04Å; R726-Q730 HydrophobicContact CG-CG 4.35Å; R726-Q730 WeakPolarHBondContact O-CG 3.28Å; R726-Q730 PolarHBondContact O-N 3.49Å; F727-Q730 PolarHBondContact O-N 2.92Å; Q730-A732 VanDerWaalsContact C-N 3.35Å; Q730-A732 PolarHBondContact O-N 3.05Å; Q730-L733 PolarHBondContact O-N 3.37Å; Q730-F734 WeakPolarHBondContact O-CB 3.35Å; Q730-F734 PolarHBondContact O-N 3.09Å
731	L	94.9	Very high	93.9	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-42.1	178.6	-176.9	63.8	0	0	0	111.5	L621 V633 L638 L708 F727 R729 T735	L621-L731 HydrophobicContact CD1-CD1 4.26Å; V633-L731 HydrophobicContact CG1-CD2 3.89Å; L638-L731 HydrophobicContact CB-CD1 4.33Å; L638-L731 HydrophobicContact CD2-CD1 4.18Å; L708-L731 HydrophobicContact CD1-CB 3.89Å; L708-L731 HydrophobicContact CD1-CD1 4.03Å; F727-L731 HydrophobicContact CE1-CD2 4.31Å; F727-L731 WeakPolarHBondContact O-CB 3.38Å; F727-L731 PolarHBondContact O-N 3.03Å; R729-L731 PolarHBondContact O-N 2.77Å; L731-T735 WeakPolarHBondContact O-CB 3.44Å; L731-T735 PolarHBondContact O-N 3.43Å; L731-T735 PolarHBondContact O-OG1 2.85Å
732	A	94.7	Very high	94.1	Very high	41 Å²	41	44.3 Å²	44.3	34%	0.339	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-49.5	175.3	0	0	0	0	0	112.1	R728 R729 Q730 F734 T735 W736	R728-A732 WeakPolarHBondContact O-CB 3.37Å; R728-A732 PolarHBondContact O-N 3.25Å; R729-A732 PolarHBondContact O-N 2.67Å; Q730-A732 VanDerWaalsContact C-N 3.35Å; Q730-A732 PolarHBondContact O-N 3.05Å; A732-F734 PolarHBondContact O-N 3.2Å; A732-T735 PolarHBondContact O-N 2.96Å; A732-W736 WeakPolarHBondContact O-CB 3.35Å; A732-W736 PolarHBondContact O-N 2.77Å
733	L	95.4	Very high	94.1	Very high	27 Å²	27	47.4 Å²	47.4	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-47	179.6	-70.5	166.8	0	0	0	111.9	Y685 H703 R729 Q730 T737	Y685-L733 HydrophobicContact CD2-CD2 4.49Å; Y685-L733 HydrophobicContact CG-CD2 4.1Å; H703-L733 HydrophobicContact CB-CB 4.11Å; H703-L733 HydrophobicContact CB-CD1 4.29Å; R729-L733 HydrophobicContact CG-CD1 4.06Å; R729-L733 HydrophobicContact CG-CG 4.45Å; R729-L733 WeakPolarHBondContact O-CB 3.43Å; R729-L733 WeakPolarHBondContact O-CG 3.48Å; R729-L733 PolarHBondContact O-N 3.42Å; Q730-L733 PolarHBondContact O-N 3.37Å; L733-T737 WeakPolarHBondContact O-CB 3.27Å; L733-T737 PolarHBondContact O-N 3.44Å; L733-T737 PolarHBondContact O-OG1 3.07Å
734	F	95.4	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-47.1	178.2	-170.1	-86.6	0	0	0	111.7	V614 L617 L638 V696 L705 Q730 A732 T737 L738	V614-F734 HydrophobicContact CG1-CE1 4.02Å; V614-F734 HydrophobicContact CG2-CE1 4.23Å; V614-F734 HydrophobicContact CG2-CZ 4.04Å; L617-F734 HydrophobicContact CD2-CD1 4.34Å; L617-F734 HydrophobicContact CD2-CE1 4.09Å; L638-F734 HydrophobicContact CD1-CD1 3.6Å; L638-F734 HydrophobicContact CD1-CE1 3.89Å; V696-F734 HydrophobicContact CB-CD2 3.73Å; V696-F734 HydrophobicContact CB-CE2 3.71Å; V696-F734 HydrophobicContact CG1-CD2 4.39Å; V696-F734 HydrophobicContact CG2-CD2 4.11Å; V696-F734 HydrophobicContact CG2-CE2 3.7Å; V696-F734 HydrophobicContact CG2-CZ 4.37Å; L705-F734 HydrophobicContact CB-CD2 4.41Å; L705-F734 HydrophobicContact CB-CE2 3.7Å; L705-F734 HydrophobicContact CB-CZ 4.28Å; Q730-F734 WeakPolarHBondContact O-CB 3.35Å; Q730-F734 PolarHBondContact O-N 3.09Å; A732-F734 PolarHBondContact O-N 3.2Å; F734-T737 PolarHBondContact O-N 3.43Å; F734-L738 HydrophobicContact CE1-CD2 4.42Å; F734-L738 WeakPolarHBondContact O-CB 3.48Å; F734-L738 PolarHBondContact O-N 3.12Å
735	T	95	Very high	93.5	Very high	10 Å²	10	42.3 Å²	42.3	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-47.5	-178.9	-60.9	0	0	0	0	112.2	W637 L638 A641 L731 A732 T737 L738 Q739	W637-T735 HydrophobicContact CB-CG2 3.86Å; W637-T735 WeakPolarHBondContact O-CG2 3.49Å; L638-T735 HydrophobicContact CB-CG2 4.5Å; A641-T735 HydrophobicContact CB-CG2 4.1Å; L731-T735 WeakPolarHBondContact O-CB 3.44Å; L731-T735 PolarHBondContact O-N 3.43Å; L731-T735 PolarHBondContact O-OG1 2.85Å; A732-T735 PolarHBondContact O-N 2.96Å; T735-T737 VanDerWaalsContact C-N 3.33Å; T735-T737 PolarHBondContact O-N 2.99Å; T735-L738 PolarHBondContact O-N 3.27Å; T735-Q739 PolarHBondContact O-N 3.22Å
736	W	95.2	Very high	92.9	Very high	137 Å²	137	40.2 Å²	40.2	52%	0.519	19%	0.194	S	C	.	.	H	α-helix	trans	-69.9	-29.4	-179.4	-75.4	117.9	0	0	0	112.9	Y685 A732 G740	Y685-W736 HydrophobicContact CE2-CB 3.69Å; A732-W736 WeakPolarHBondContact O-CB 3.35Å; A732-W736 PolarHBondContact O-N 2.77Å; W736-G740 PolarHBondContact O-N 3.15Å
737	T	95.6	Very high	91.6	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-45.8	171.8	-52.5	0	0	0	0	110.7	Y680 V696 L733 F734 T735 Q739 G740 A741	Y680-T737 WeakPolarHBondContact O-CG2 3.37Å; V696-T737 HydrophobicContact CG1-CG2 3.72Å; V696-T737 HydrophobicContact CG2-CG2 4.39Å; L733-T737 WeakPolarHBondContact O-CB 3.27Å; L733-T737 PolarHBondContact O-N 3.44Å; L733-T737 PolarHBondContact O-OG1 3.07Å; F734-T737 PolarHBondContact O-N 3.43Å; T735-T737 VanDerWaalsContact C-N 3.33Å; T735-T737 PolarHBondContact O-N 2.99Å; T737-Q739 VanDerWaalsContact C-N 3.34Å; T737-Q739 PolarHBondContact O-N 2.75Å; T737-G740 WeakPolarHBondContact O-CA 3.4Å; T737-G740 PolarHBondContact O-N 2.74Å; T737-G740 VanDerWaalsContact O-N 3.08Å; T737-A741 PolarHBondContact O-N 3.49Å
738	L	94.6	Very high	89.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-39.7	175.5	179.7	63.7	0	0	0	112.6	V614 L638 A641 R642 Y645 F681 F734 T735 A741 A742	V614-L738 HydrophobicContact CG1-CD2 3.94Å; V614-L738 HydrophobicContact CG2-CD1 4.46Å; V614-L738 HydrophobicContact CG2-CD2 4.46Å; L638-L738 HydrophobicContact CD1-CD2 3.94Å; A641-L738 HydrophobicContact CB-CB 4.3Å; A641-L738 HydrophobicContact CB-CD2 4.02Å; A641-L738 HydrophobicContact CB-CG 4.05Å; R642-L738 HydrophobicContact CB-CD2 4.06Å; Y645-L738 HydrophobicContact CD2-CD1 4.21Å; Y645-L738 HydrophobicContact CG-CD1 4.03Å; F681-L738 HydrophobicContact CE1-CD1 3.77Å; F681-L738 HydrophobicContact CZ-CD1 4.09Å; F734-L738 HydrophobicContact CE1-CD2 4.42Å; F734-L738 WeakPolarHBondContact O-CB 3.48Å; F734-L738 PolarHBondContact O-N 3.12Å; T735-L738 PolarHBondContact O-N 3.27Å; L738-A741 PolarHBondContact O-N 3.13Å; L738-A742 PolarHBondContact O-N 2.95Å
739	Q	94.6	Very high	87.7	Confident	24 Å²	24	43 Å²	43	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-38.5	173.1	-167	74.5	55	0	0	111.5	A641 D644 T735 T737 A742 N743	A641-Q739 VanDerWaalsContact CA-OE1 3.28Å; A641-Q739 HydrophobicContact CB-CB 4.08Å; D644-Q739 PolarHBondContact OD2-NE2 2.95Å; D644-Q739 PolarHBondContact OD2-OE1 3Å; T735-Q739 PolarHBondContact O-N 3.22Å; T737-Q739 VanDerWaalsContact C-N 3.34Å; T737-Q739 PolarHBondContact O-N 2.75Å; Q739-A742 PolarHBondContact O-N 2.93Å; Q739-N743 PolarHBondContact NE2-OD1 2.91Å; Q739-N743 WeakPolarHBondContact O-CB 3.47Å; Q739-N743 PolarHBondContact O-N 2.69Å; Q739-N743 PolarHBondContact O-ND2 3.28Å; Q739-N743 PolarHBondContact O-OD1 3.14Å
740	G	92.4	Very high	85.3	Confident	27 Å²	27	45.2 Å²	45.2	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-57.6	-47.7	172.5	0	0	0	0	0	112.2	W736 T737 N743 A744	W736-G740 PolarHBondContact O-N 3.15Å; T737-G740 WeakPolarHBondContact O-CA 3.4Å; T737-G740 PolarHBondContact O-N 2.74Å; T737-G740 VanDerWaalsContact O-N 3.08Å; G740-N743 PolarHBondContact O-N 3.43Å; G740-A744 WeakPolarHBondContact O-CB 3.29Å; G740-A744 PolarHBondContact O-N 3.4Å
741	A	93	Very high	82.5	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-43.6	174.1	0	0	0	0	0	112.7	Y645 F681 T737 L738 A744 L745	Y645-A741 HydrophobicContact CD2-CB 4.07Å; Y645-A741 HydrophobicContact CE2-CB 4.11Å; F681-A741 HydrophobicContact CD2-CB 4.48Å; F681-A741 HydrophobicContact CE1-CB 4.45Å; F681-A741 HydrophobicContact CE2-CB 4.17Å; F681-A741 HydrophobicContact CZ-CB 4.14Å; T737-A741 PolarHBondContact O-N 3.49Å; L738-A741 PolarHBondContact O-N 3.13Å; A741-A744 PolarHBondContact O-N 3.47Å; A741-L745 WeakPolarHBondContact O-CB 3.18Å; A741-L745 PolarHBondContact O-N 3.18Å
742	A	92.9	Very high	79.5	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.017	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-47.7	175.9	0	0	0	0	0	112.2	D644 Y645 L738 Q739 L745 N746	D644-A742 HydrophobicContact CB-CB 3.89Å; Y645-A742 HydrophobicContact CD2-CB 4.45Å; L738-A742 PolarHBondContact O-N 2.95Å; Q739-A742 PolarHBondContact O-N 2.93Å; A742-L745 PolarHBondContact O-N 3.28Å; A742-N746 WeakPolarHBondContact O-CB 3.27Å; A742-N746 PolarHBondContact O-N 3.09Å
743	N	90.7	Very high	76.5	Confident	79 Å²	79	62.4 Å²	62.4	42%	0.422	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-45.9	-179.3	-65.9	-5.3	0	0	0	111.3	Q739 G740 L745 N746	Q739-N743 PolarHBondContact NE2-OD1 2.91Å; Q739-N743 WeakPolarHBondContact O-CB 3.47Å; Q739-N743 PolarHBondContact O-N 2.69Å; Q739-N743 PolarHBondContact O-ND2 3.28Å; Q739-N743 PolarHBondContact O-OD1 3.14Å; G740-N743 PolarHBondContact O-N 3.43Å; N743-L745 VanDerWaalsContact C-N 3.34Å; N743-L745 PolarHBondContact O-N 3.33Å; N743-N746 PolarHBondContact O-N 2.88Å
744	A	86.4	Confident	73.6	Confident	31 Å²	31	69.2 Å²	69.2	26%	0.256	35%	0.345	S	S	.	.	H	α-helix	trans	-65.5	-36.2	178	0	0	0	0	0	112.7	Y680 G740 A741	Y680-A744 HydrophobicContact CD1-CB 3.84Å; Y680-A744 HydrophobicContact CD2-CB 3.47Å; Y680-A744 VanDerWaalsContact CD2-CB 3.47Å; Y680-A744 HydrophobicContact CE1-CB 3.82Å; Y680-A744 HydrophobicContact CE2-CB 3.48Å; Y680-A744 VanDerWaalsContact CE2-CB 3.48Å; Y680-A744 HydrophobicContact CG-CB 3.67Å; G740-A744 WeakPolarHBondContact O-CB 3.29Å; G740-A744 PolarHBondContact O-N 3.4Å; A741-A744 PolarHBondContact O-N 3.47Å
745	L	86.9	Confident	70.4	Confident	4 Å²	4	75.2 Å²	75.2	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-69.8	-33	177.5	-173.5	53.9	0	0	0	112.4	Y645 A648 A649 L652 R673 V677 A741 A742 N743 G747	Y645-L745 HydrophobicContact CD2-CD2 4.38Å; Y645-L745 HydrophobicContact CE2-CD2 3.77Å; A648-L745 HydrophobicContact CB-CB 4.18Å; A648-L745 HydrophobicContact CB-CD2 4.31Å; A648-L745 HydrophobicContact CB-CG 4.17Å; A649-L745 HydrophobicContact CB-CD2 3.82Å; L652-L745 HydrophobicContact CD2-CD1 3.49Å; L652-L745 VanDerWaalsContact CD2-CD1 3.49Å; R673-L745 PolarHBondContact NE-O 3.49Å; R673-L745 PolarHBondContact NH2-O 3.19Å; V677-L745 HydrophobicContact CG2-CD1 3.59Å; V677-L745 HydrophobicContact CG2-CD2 4.29Å; V677-L745 HydrophobicContact CG2-CG 4.49Å; A741-L745 WeakPolarHBondContact O-CB 3.18Å; A741-L745 PolarHBondContact O-N 3.18Å; A742-L745 PolarHBondContact O-N 3.28Å; N743-L745 VanDerWaalsContact C-N 3.34Å; N743-L745 PolarHBondContact O-N 3.33Å; L745-G747 VanDerWaalsContact C-N 3.29Å; L745-G747 PolarHBondContact O-N 3.4Å
746	N	80.6	Confident	67.4	Low	80 Å²	80	84 Å²	84	43%	0.428	42%	0.422	S	S	.	.	H	α-helix	trans	-67.1	-27.3	-179.1	-160.1	31.4	0	0	0	113.2	A648 R673 A742 N743	A648-N746 HydrophobicContact CB-CB 4.18Å; R673-N746 VanDerWaalsContact NH2-C 3.28Å; R673-N746 PolarHBondContact NH2-O 2.88Å; A742-N746 WeakPolarHBondContact O-CB 3.27Å; A742-N746 PolarHBondContact O-N 3.09Å; N743-N746 PolarHBondContact O-N 2.88Å
747	G	66.4	Low	64.2	Low	25 Å²	25	81.9 Å²	81.9	26%	0.258	43%	0.428	S	S	.	.			trans	96.7	-150.3	-176.8	0	0	0	0	0	112.1	L745 V749	L745-G747 VanDerWaalsContact C-N 3.29Å; L745-G747 PolarHBondContact O-N 3.4Å; G747-V749 PolarHBondContact O-N 3.14Å
748	D	57.2	Low	60.9	Low	127 Å²	127	93.1 Å²	93.1	68%	0.679	47%	0.471	S	S	*	.			trans	-66.7	99.3	177.5	-103.9	-40.1	0	0	0	110.9	W750 S751	D748-W750 PolarHBondContact O-N 3.25Å; D748-S751 WeakPolarHBondContact CB-OG 3.43Å; D748-S751 PolarHBondContact O-N 3.27Å; D748-S751 PolarHBondContact O-OG 3.46Å
749	V	48.9	Very low	57.8	Low	87 Å²	87	98.5 Å²	98.5	53%	0.527	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.2	175.9	-179	0	0	0	0	111.9	G747	G747-V749 PolarHBondContact O-N 3.14Å
750	W	45.4	Very low	55	Low	227 Å²	227	106.8 Å²	106.8	86%	0.86	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-3.2	177.5	-60.1	103.5	0	0	0	114.6	D748 I752	D748-W750 PolarHBondContact O-N 3.25Å; W750-I752 PolarHBondContact O-N 3.31Å
751	S	36.4	Very low	52	Low	67 Å²	67	111.7 Å²	111.7	47%	0.469	57%	0.568	S	S	.	*			trans	-78.7	68.9	177	67.8	0	0	0	0	111.9	D748 R753	D748-S751 WeakPolarHBondContact CB-OG 3.43Å; D748-S751 PolarHBondContact O-N 3.27Å; D748-S751 PolarHBondContact O-OG 3.46Å; S751-R753 PolarHBondContact O-N 2.7Å
752	I	31.9	Very low	49.1	Very low	136 Å²	136	121.3 Å²	121.3	70%	0.697	61%	0.609	S	S	*	*			trans	-71.1	68.7	163.5	-52.5	174.4	0	0	0	107.8	W750 H754	W750-I752 PolarHBondContact O-N 3.31Å; I752-H754 PolarHBondContact O-N 3.02Å
753	R	32.1	Very low	46.3	Very low	213 Å²	213	136.4 Å²	136.4	80%	0.804	67%	0.665	S	S	*	*			trans	-73.8	112	168.9	-78.4	-167.6	174	-165.8	0.4	107.9	S751 T755	S751-R753 PolarHBondContact O-N 2.7Å; R753-T755 PolarHBondContact O-N 3.01Å
754	H	33.4	Very low	44.1	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.787	68%	0.678	S	S	*	*			trans	-57.2	102.4	-178	-62	-99.6	0	0	0	112	I752	I752-H754 PolarHBondContact O-N 3.02Å
755	T	29.7	Very low	41.8	Very low	126 Å²	126	144.9 Å²	144.9	77%	0.773	70%	0.7	S	S	*	*			trans	-115.3	24.5	177.7	47	0	0	0	0	113.6	R753	R753-T755 PolarHBondContact O-N 3.01Å
756	H	30.9	Very low	39.3	Very low	194 Å²	194	152.8 Å²	152.8	90%	0.898	74%	0.738	S	S	*	*			trans	-129.3	67.1	169.9	-78.5	-41.5	0	0	0	112.1
757	S	28.5	Very low	36.9	Very low	92 Å²	92	157.1 Å²	157.1	64%	0.643	76%	0.756	S	S	*	*			trans	-147.5	39.2	169.6	69.2	0	0	0	0	114.2
758	Y	26.9	Very low	35	Very low	241 Å²	241	165.3 Å²	165.3	95%	0.945	79%	0.787	S	S	*	*			trans	-100.4	74.5	158	-90.6	-76.6	0	0	0	109.6	H760	Y758-H760 PolarHBondContact O-N 2.85Å
759	T	29.4	Very low	33.6	Very low	115 Å²	115	167.9 Å²	167.9	71%	0.706	79%	0.794	S	S	*	*			trans	-69.4	121.3	169.3	44.8	0	0	0	0	109.8	T761	T759-T761 PolarHBondContact O-N 2.7Å
760	H	34.6	Very low	32.5	Very low	197 Å²	197	173.6 Å²	173.6	91%	0.912	81%	0.813	S	S	*	*			trans	-60.4	100.9	165.8	-88.1	-76.6	0	0	0	110.5	Y758	Y758-H760 PolarHBondContact O-N 2.85Å
761	T	29.2	Very low	31.5	Very low	131 Å²	131	169.5 Å²	169.5	80%	0.804	81%	0.81	S	S	*	*			trans	-91.4	109	163.2	32.4	0	0	0	0	109.6	T759 R763	T759-T761 PolarHBondContact O-N 2.7Å; T761-R763 PolarHBondContact O-N 3.26Å
762	K	33.8	Very low	31.1	Very low	203 Å²	203	178.1 Å²	178.1	88%	0.883	84%	0.838	S	S	*	*			trans	-71.1	122.3	167.8	-71.3	179.2	175.5	179.3	0	110.1
763	R	32.7	Very low	31	Very low	319 Å²	319	181.9 Å²	181.9	100%	1.204	85%	0.851	S	S	*	*			trans	-160.6	0	134.1	-113.7	176.4	-173.7	-167	0.7	110.9	T761	T761-R763 PolarHBondContact O-N 3.26Å

Retrieved 763 of 763 residues in 355 ms (Link to these results)

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