A0A087X3F1_POEFO Loading...

Stress-70 protein, mitochondrial

AlphaFold DB , UniProt , Accession A0A087X3F1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 679 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	37.4	Very low	30	Very low	252 Å²	252	154.3 Å²	154.3	100%	1.241	85%	0.854	S	S	*	*				0	115.6	0	-75.8	-174.3	-175.7	0	0	108.3
2	L	28.5	Very low	29.8	Very low	177 Å²	177	154.3 Å²	154.3	93%	0.927	85%	0.851	S	S	*	*			trans	-88.9	163.8	179.5	-86.9	145	0	0	0	111.1
3	S	29	Very low	30.3	Very low	108 Å²	108	151.5 Å²	151.5	76%	0.755	84%	0.844	S	S	*	*			trans	100.6	97.9	171.1	-164.9	0	0	0	0	114.3
4	V	32	Very low	30.2	Very low	131 Å²	131	149.1 Å²	149.1	79%	0.794	84%	0.835	S	S	*	*				63.1	111.1	64.8	-172.9	0	0	0	0	113.3
5	A	32	Very low	30	Very low	81 Å²	81	153.3 Å²	153.3	67%	0.669	84%	0.841	S	S	*	*				145.9	123.8	122	0	0	0	0	0	115.9
6	R	29.8	Very low	30	Very low	232 Å²	232	153.8 Å²	153.8	88%	0.875	84%	0.84	S	S	*	*			trans	70.5	115.7	133.5	-67.4	177.1	178.6	-169.2	-0.5	120.6
7	S	27.8	Very low	29.7	Very low	124 Å²	124	151.9 Å²	151.9	87%	0.867	84%	0.84	S	S	*	*				-134.8	140.7	124	72.2	0	0	0	0	110
8	V	29.2	Very low	29.9	Very low	125 Å²	125	149.1 Å²	149.1	76%	0.758	83%	0.832	S	S	*	*			trans	-118.3	150.7	-173.6	164.8	0	0	0	0	108.2
9	S	28.7	Very low	29.9	Very low	105 Å²	105	154.2 Å²	154.2	73%	0.734	84%	0.837	S	S	*	*			trans	129.3	143.2	148.4	71.3	0	0	0	0	111.8
10	R	28.9	Very low	30	Very low	234 Å²	234	154.3 Å²	154.3	88%	0.883	84%	0.837	S	S	*	*			cis	-171	138.3	-3.3	-112.4	172.2	-177.8	-162.3	2.2	105.2
11	S	27.2	Very low	29.8	Very low	128 Å²	128	153.7 Å²	153.7	90%	0.895	84%	0.838	S	S	*	*			trans	162.3	127.3	131.1	51.7	0	0	0	0	111.6
12	L	26.7	Very low	29.6	Very low	155 Å²	155	146.6 Å²	146.6	81%	0.812	81%	0.813	S	S	*	*			trans	-108.7	157.1	168.8	-101.4	155.4	0	0	0	106.4
13	P	36.9	Very low	29.7	Very low	118 Å²	118	143.2 Å²	143.2	77%	0.766	80%	0.804	S	S	*	*				-143.3	137	89	29.3	-8.8	0	0	0	116.5
14	T	28.7	Very low	29.7	Very low	117 Å²	117	146.2 Å²	146.2	72%	0.718	81%	0.811	S	S	*	*			trans	12.7	127.9	140.1	45.6	0	0	0	0	121.3
15	K	26.8	Very low	29.7	Very low	213 Å²	213	146 Å²	146	93%	0.926	81%	0.81	S	S	*	*				-160.6	147.2	123.3	-108.3	175.9	-172.7	-179.1	0	112.8
16	I	29.7	Very low	29.8	Very low	160 Å²	160	152 Å²	152	82%	0.821	82%	0.821	S	S	*	*			trans	-83.1	139.8	-166.1	-67	151.7	0	0	0	112
17	C	25.6	Very low	30	Very low	123 Å²	123	150.8 Å²	150.8	83%	0.831	82%	0.822	S	S	*	*				-178	133.7	120.7	-131.9	0	0	0	0	112.8
18	S	33.3	Very low	30.2	Very low	100 Å²	100	148.9 Å²	148.9	70%	0.699	81%	0.814	S	S	*	*			trans	-89.1	141.5	169.4	47.3	0	0	0	0	110.6
19	R	29.7	Very low	30.2	Very low	247 Å²	247	148.6 Å²	148.6	93%	0.932	82%	0.816	S	S	*	*			trans	176.2	127.1	133.6	-102	169.3	143.1	161.4	-6.1	112.4
20	N	31.8	Very low	30.3	Very low	156 Å²	156	156.4 Å²	156.4	83%	0.834	83%	0.829	S	S	*	*			trans	-45.3	142.3	156.8	-73.6	-32.6	0	0	0	111.4
21	V	26.5	Very low	30.7	Very low	141 Å²	141	151 Å²	151	86%	0.855	83%	0.827	S	S	*	*				-160.4	123.2	125.2	165.9	0	0	0	0	108.2
22	S	31.9	Very low	31.1	Very low	103 Å²	103	148.1 Å²	148.1	72%	0.72	82%	0.818	S	S	*	*			trans	-62.3	160.1	166.4	47.8	0	0	0	0	112
23	S	31.7	Very low	31.6	Very low	106 Å²	106	150.4 Å²	150.4	74%	0.741	82%	0.822	S	S	*	*			trans	84	93.1	171.2	81.4	0	0	0	0	115.9
24	L	29.4	Very low	31.8	Very low	171 Å²	171	152.1 Å²	152.1	90%	0.895	82%	0.819	S	S	*	*			trans	167.4	76.7	136.4	-93.2	156.5	0	0	0	108.8
25	V	30.7	Very low	32.5	Very low	128 Å²	128	150.7 Å²	150.7	78%	0.776	82%	0.815	S	S	*	*			trans	-163.3	77.9	135.4	-176	0	0	0	0	106.3
26	K	35.7	Very low	32.9	Very low	206 Å²	206	145.7 Å²	145.7	90%	0.896	80%	0.798	S	S	*	*			trans	-85.1	133.3	148.2	-95.2	-179.5	174.7	178.3	0	105.4
27	K	34	Very low	33.1	Very low	207 Å²	207	140.9 Å²	140.9	90%	0.9	78%	0.782	S	S	*	*	S	Bend	trans	85.6	78.8	178	-60.4	-179.2	172.5	-178.6	0	116.4
28	A	31.8	Very low	34	Very low	84 Å²	84	140.8 Å²	140.8	69%	0.694	77%	0.772	S	S	*	*	S	Bend	trans	175.8	147.8	133.6	0	0	0	0	0	108.3
29	C	29	Very low	34.2	Very low	119 Å²	119	142.9 Å²	142.9	80%	0.804	76%	0.764	S	S	*	*			trans	82.7	59.9	177.8	-58.4	0	0	0	0	117.2
30	W	30.7	Very low	34.4	Very low	268 Å²	268	133.9 Å²	133.9	100%	1.015	74%	0.743	S	S	*	*			trans	-118	77.2	149.8	-89	44.7	0	0	0	108.4
31	S	37.1	Very low	34.6	Very low	120 Å²	120	133 Å²	133	84%	0.839	74%	0.737	S	S	*	*	S	Bend	trans	-172.3	109.3	162.5	55.6	0	0	0	0	107.6
32	G	36.5	Very low	35.4	Very low	68 Å²	68	130.1 Å²	130.1	70%	0.701	72%	0.724	S	S	*	*	S	Bend	trans	151.3	6.2	170.3	0	0	0	0	0	118.4
33	F	35.9	Very low	35.8	Very low	203 Å²	203	134.3 Å²	134.3	89%	0.89	72%	0.724	S	S	*	*			trans	-144.2	83.4	176.4	-89.7	-85.6	0	0	0	110.9
34	Q	41.7	Very low	35.8	Very low	154 Å²	154	139.9 Å²	139.9	72%	0.72	73%	0.729	S	S	*	*	S	Bend	trans	-152.2	-10.8	165.8	-120.2	169	-7.2	0	0	115.7	I38	Q34-I38 WeakPolarHBondContact O-CD1 3.23Å; Q34-I38 WeakPolarHBondContact O-CG1 2.81Å
35	S	42.3	Very low	36.1	Very low	88 Å²	88	138.4 Å²	138.4	62%	0.615	72%	0.722	S	S	*	*	H	α-helix	trans	-78	-43	176	53.6	0	0	0	0	113.2	R39	S35-R39 WeakPolarHBondContact O-CB 3.37Å; S35-R39 PolarHBondContact O-N 3.32Å; S35-R39 VanDerWaalsContact O-N 3.16Å
36	D	35.7	Very low	36.7	Very low	107 Å²	107	141.2 Å²	141.2	57%	0.572	72%	0.719	S	S	*	*	H	α-helix	trans	-77.6	-28.4	-172	-68.3	-21.3	0	0	0	113.3	R39 A40	D36-R39 PolarHBondContact O-N 2.56Å; D36-A40 VanDerWaalsContact O-CB 3.27Å; D36-A40 WeakPolarHBondContact O-CB 3.42Å; D36-A40 PolarHBondContact O-N 2.79Å
37	A	35	Very low	36.6	Very low	59 Å²	59	136.1 Å²	136.1	49%	0.488	72%	0.716	S	S	.	*	H	α-helix	trans	-69.6	-39.1	176.4	0	0	0	0	0	111.8	A40 L41	A37-A40 PolarHBondContact O-N 3.23Å; A37-L41 WeakPolarHBondContact O-CB 3.33Å; A37-L41 WeakPolarHBondContact O-CD1 3.36Å; A37-L41 WeakPolarHBondContact O-CG 3.49Å; A37-L41 PolarHBondContact O-N 3.04Å
38	I	43	Very low	37.2	Very low	121 Å²	121	130.1 Å²	130.1	62%	0.621	70%	0.7	S	S	*	*	H	α-helix	trans	-68.5	-39.3	175.3	-63.4	175.2	0	0	0	110.1	Q34 A40 L41 S42	Q34-I38 WeakPolarHBondContact O-CD1 3.23Å; Q34-I38 WeakPolarHBondContact O-CG1 2.81Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 3.05Å; I38-L41 PolarHBondContact O-N 2.82Å; I38-S42 PolarHBondContact O-N 3.3Å
39	R	39.1	Very low	38.2	Very low	144 Å²	144	135 Å²	135	54%	0.543	71%	0.708	S	S	.	*	H	α-helix	trans	-68.2	-27.8	176.9	-151.8	176.2	-171.6	-169.4	2.6	113.5	S35 D36 R43	S35-R39 WeakPolarHBondContact O-CB 3.37Å; S35-R39 PolarHBondContact O-N 3.32Å; S35-R39 VanDerWaalsContact O-N 3.16Å; D36-R39 PolarHBondContact O-N 2.56Å; R39-R43 WeakPolarHBondContact O-CG 3.18Å
40	A	33.6	Very low	40	Very low	58 Å²	58	133.3 Å²	133.3	48%	0.479	70%	0.703	S	S	.	*	H	α-helix	trans	-87.3	-31.6	177.8	0	0	0	0	0	113.1	D36 A37 I38 R43	D36-A40 VanDerWaalsContact O-CB 3.27Å; D36-A40 WeakPolarHBondContact O-CB 3.42Å; D36-A40 PolarHBondContact O-N 2.79Å; A37-A40 PolarHBondContact O-N 3.23Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 3.05Å; A40-R43 PolarHBondContact O-N 3.13Å
41	L	36	Very low	42.3	Very low	137 Å²	137	122.8 Å²	122.8	72%	0.717	67%	0.666	S	S	*	*	H	α-helix	trans	-74.4	-28.6	178.7	-80.3	159.7	0	0	0	112.8	A37 I38 R43	A37-L41 WeakPolarHBondContact O-CB 3.33Å; A37-L41 WeakPolarHBondContact O-CD1 3.36Å; A37-L41 WeakPolarHBondContact O-CG 3.49Å; A37-L41 PolarHBondContact O-N 3.04Å; I38-L41 PolarHBondContact O-N 2.82Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.76Å
42	S	41.9	Very low	44.2	Very low	82 Å²	82	126 Å²	126	57%	0.573	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-16.8	173.4	73.1	0	0	0	0	114.1	I38	I38-S42 PolarHBondContact O-N 3.3Å
43	R	40.9	Very low	46.4	Very low	190 Å²	190	125.7 Å²	125.7	72%	0.717	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-15.3	-176.9	-81.7	-179.3	175	-172.4	-1.6	114.6	R39 A40 L41	R39-R43 WeakPolarHBondContact O-CG 3.18Å; A40-R43 PolarHBondContact O-N 3.13Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.76Å
44	R	32.2	Very low	48.9	Very low	224 Å²	224	118.7 Å²	118.7	85%	0.845	64%	0.638	S	S	*	*	S	Bend	trans	-90.8	-19.3	-168.8	-97.2	-178.2	169.6	167.6	-2.3	115.9
45	D	35.4	Very low	51.5	Low	140 Å²	140	112 Å²	112	75%	0.749	61%	0.607	S	S	*	*	S	Bend	trans	-111.7	5.1	-174.8	-68.5	-23.8	0	0	0	115.1
46	Y	42.4	Very low	54.1	Low	186 Å²	186	107.8 Å²	107.8	73%	0.729	58%	0.578	S	S	*	*			trans	-134	48.4	179.4	-75.9	-83.4	0	0	0	113.7	S48	Y46-S48 PolarHBondContact O-N 2.73Å
47	A	34.6	Very low	57.1	Low	99 Å²	99	102.7 Å²	102.7	82%	0.818	55%	0.551	S	S	*	*			trans	-80.3	81.7	154.3	0	0	0	0	0	107.8
48	S	45.7	Very low	60.1	Low	81 Å²	81	99.9 Å²	99.9	57%	0.566	53%	0.528	S	S	*	.			trans	-61.7	152.5	165.6	65.9	0	0	0	0	108.7	Y46 A50	Y46-S48 PolarHBondContact O-N 2.73Å; S48-A50 PolarHBondContact O-N 2.83Å
49	E	54.5	Low	62.8	Low	186 Å²	186	95 Å²	95	87%	0.869	50%	0.503	S	S	*	.			trans	-46	132.1	159	-72.9	-177.5	141.1	0	0	108.4	I51	E49-I51 PolarHBondContact O-N 3.5Å
50	A	65.1	Low	65.6	Low	84 Å²	84	88.6 Å²	88.6	69%	0.694	48%	0.479	S	S	*	.			trans	-53.1	121.1	-178	0	0	0	0	0	109.1	S48 K52	S48-A50 PolarHBondContact O-N 2.83Å; A50-K52 PolarHBondContact O-N 3.34Å
51	I	79.7	Confident	68.6	Low	47 Å²	47	86.4 Å²	86.4	24%	0.241	46%	0.462	C	S	.	.			trans	-59.8	114.6	-179.5	-58.5	-178.6	0	0	0	107.4	E49 V55 L217 L428	E49-I51 PolarHBondContact O-N 3.5Å; I51-V55 HydrophobicContact CG2-CG2 3.91Å; I51-L217 HydrophobicContact CD1-CD1 3.81Å; I51-L217 HydrophobicContact CD1-CD2 4.29Å; I51-L217 HydrophobicContact CG2-CD1 4.07Å; I51-L428 HydrophobicContact CD1-CB 4Å; I51-L428 VanDerWaalsContact CD1-O 3.26Å; I51-L428 WeakPolarHBondContact CD1-O 3.42Å
52	K	76.3	Confident	71.5	Confident	188 Å²	188	80.2 Å²	80.2	82%	0.817	43%	0.43	S	S	*	.			trans	-89.7	126.5	-179.5	-68.1	-177.1	-178.1	174.2	0	110.1	A50 N188	A50-K52 PolarHBondContact O-N 3.34Å; K52-N188 PolarHBondContact O-ND2 3.28Å
53	G	82.4	Confident	74.1	Confident	61 Å²	61	77.7 Å²	77.7	63%	0.629	41%	0.411	S	S	*	.	S	Bend	trans	89.1	165.7	176.2	0	0	0	0	0	113.7
54	S	89.1	Confident	76.8	Confident	57 Å²	57	71.6 Å²	71.6	40%	0.399	39%	0.393	S	S	.	.			trans	-60.6	141.1	-175.6	-51.9	0	0	0	0	112.5
55	V	95.7	Very high	80	Confident	12 Å²	12	61 Å²	61	7%	0.073	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.3	171.5	-174.5	0	0	0	0	108.6	I51 N188 V190 L217 A429	I51-V55 HydrophobicContact CG2-CG2 3.91Å; V55-N188 WeakPolarHBondContact CA-O 3.35Å; V55-N188 HydrophobicContact CB-CB 4.41Å; V55-N188 HydrophobicContact CG1-CB 4.43Å; V55-N188 HydrophobicContact CG2-CB 3.93Å; V55-V190 HydrophobicContact CG1-CG2 4.09Å; V55-L217 HydrophobicContact CB-CD1 4.37Å; V55-L217 HydrophobicContact CG1-CD1 3.76Å; V55-L217 HydrophobicContact CG2-CD1 3.64Å; V55-A429 HydrophobicContact CG2-CB 4.29Å
56	I	97.9	Very high	83	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.7	178.1	67	167.7	0	0	0	110.9	I58 V67 V69 A178 V186 N188 A189 V190	I56-I58 HydrophobicContact CD1-CD1 3.67Å; I56-I58 HydrophobicContact CD1-CG1 3.86Å; I56-I58 HydrophobicContact CG1-CD1 4.18Å; I56-I58 HydrophobicContact CG1-CG1 4.09Å; I56-V67 HydrophobicContact CB-CG2 4.34Å; I56-V67 HydrophobicContact CD1-CG2 4.06Å; I56-V69 HydrophobicContact CB-CG1 4.32Å; I56-V69 HydrophobicContact CG2-CG1 3.74Å; I56-A178 HydrophobicContact CD1-CB 4.05Å; I56-A178 HydrophobicContact CG2-CB 3.89Å; I56-V186 HydrophobicContact CB-CG1 4.34Å; I56-V186 HydrophobicContact CD1-CG1 3.73Å; I56-V186 HydrophobicContact CG1-CG1 3.79Å; I56-V186 HydrophobicContact CG2-CG1 3.59Å; I56-V186 HydrophobicContact CG2-CG2 4.22Å; I56-N188 PolarHBondContact N-O 2.96Å; I56-A189 HydrophobicContact CG1-CB 3.9Å; I56-A189 CarbonylContact O-C 3.57Å; I56-A189 VanDerWaalsContact O-CA 3.24Å; I56-A189 WeakPolarHBondContact O-CA 3.38Å; I56-V190 PolarHBondContact O-N 3.09Å
57	G	98.4	Very high	85.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.3	171.3	0	0	0	0	0	110.2	V67 A68	G57-V67 CarbonylContact O-C 3.56Å; G57-V67 WeakPolarHBondContact O-CA 3.34Å; G57-A68 PolarHBondContact N-O 2.84Å; G57-A68 PolarHBondContact O-N 2.93Å
58	I	98.7	Very high	88.7	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.8	179.6	-54.1	171.8	0	0	0	109.4	I56 C66 V67 L171 M174 A189 V190 I191 T192 L214	I56-I58 HydrophobicContact CD1-CD1 3.67Å; I56-I58 HydrophobicContact CD1-CG1 3.86Å; I56-I58 HydrophobicContact CG1-CD1 4.18Å; I56-I58 HydrophobicContact CG1-CG1 4.09Å; I58-C66 WeakPolarHBondContact CA-O 3.35Å; I58-V67 HydrophobicContact CG1-CG2 4.04Å; I58-L171 HydrophobicContact CB-CD2 4.39Å; I58-L171 HydrophobicContact CD1-CD2 3.92Å; I58-L171 HydrophobicContact CG2-CD2 3.72Å; I58-M174 HydrophobicContact CD1-CB 4.08Å; I58-M174 HydrophobicContact CG1-CB 4.33Å; I58-M174 HydrophobicContact CG2-CB 4.1Å; I58-M174 HydrophobicContact CG2-CG 3.86Å; I58-A189 HydrophobicContact CD1-CB 4.2Å; I58-V190 PolarHBondContact N-O 2.95Å; I58-I191 WeakPolarHBondContact O-CA 3.21Å; I58-T192 WeakPolarHBondContact O-CG2 3.39Å; I58-T192 PolarHBondContact O-N 2.92Å; I58-L214 HydrophobicContact CD1-CD1 3.76Å
59	D	98.5	Very high	91.1	Very high	20 Å²	20	37.3 Å²	37.3	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	106.2	159.7	-178.3	24.4	0	0	0	110.1	G61 S65 C66 T192 V417 A418	D59-G61 PolarHBondContact O-N 3.15Å; D59-S65 CarbonylContact O-C 3.54Å; D59-S65 WeakPolarHBondContact O-CA 3.43Å; D59-S65 VanDerWaalsContact O-CB 3.23Å; D59-S65 WeakPolarHBondContact O-CB 3.48Å; D59-C66 HydrophobicContact CB-CB 4.23Å; D59-C66 PolarHBondContact N-O 2.67Å; D59-C66 PolarHBondContact O-N 2.8Å; D59-T192 VanDerWaalsContact CA-OG1 3.25Å; D59-T192 WeakPolarHBondContact CA-OG1 3.33Å; D59-T192 HydrophobicContact CB-CG2 4.28Å; D59-T192 PolarHBondContact OD1-OG1 2.88Å; D59-V417 HydrophobicContact CB-CB 4.16Å; D59-V417 HydrophobicContact CB-CG1 4.16Å; D59-A418 HydrophobicContact CB-CB 3.89Å
60	L	97.9	Very high	93	Very high	8 Å²	8	30 Å²	30	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	79.7	177.4	177.9	63.6	0	0	0	108.9	K121 V170 L171 I191 T192 T205	L60-K121 WeakPolarHBondContact O-CD 3.34Å; L60-K121 WeakPolarHBondContact O-CE 3.41Å; L60-K121 PolarHBondContact O-NZ 3.33Å; L60-V170 HydrophobicContact CD1-CB 4.15Å; L60-V170 HydrophobicContact CD1-CG1 3.94Å; L60-L171 HydrophobicContact CB-CD2 4.24Å; L60-L171 HydrophobicContact CD1-CD2 4.06Å; L60-L171 HydrophobicContact CD1-CG 4.19Å; L60-L171 HydrophobicContact CD2-CD1 4.21Å; L60-L171 HydrophobicContact CD2-CD2 4.18Å; L60-L171 HydrophobicContact CD2-CG 4.22Å; L60-L171 HydrophobicContact CG-CD2 4.38Å; L60-I191 HydrophobicContact CB-CG2 4.06Å; L60-I191 HydrophobicContact CD2-CG2 4.45Å; L60-T192 PolarHBondContact N-OG1 3.39Å; L60-T205 HydrophobicContact CD2-CG2 4.17Å
61	G	96.4	Very high	94.2	Very high	12 Å²	12	30 Å²	30	12%	0.124	17%	0.172	C	C	.	.			trans	-83.5	165.6	-175.2	0	0	0	0	0	114.6	D59 N64 S89	D59-G61 PolarHBondContact O-N 3.15Å; G61-N64 CarbonylContact C-O 3.32Å; G61-N64 WeakPolarHBondContact CA-O 3.01Å; G61-N64 PolarHBondContact N-O 3.04Å; G61-S89 VanDerWaalsContact O-CB 3.31Å; G61-S89 WeakPolarHBondContact O-CB 3.48Å; G61-S89 PolarHBondContact O-OG 2.86Å
62	T	96.9	Very high	94.6	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.043	19%	0.19	C	C	.	.	S	Bend	trans	-63.2	-41.8	178.3	-52.9	0	0	0	0	112.7	A119 R122 G248	T62-A119 HydrophobicContact CG2-CB 3.88Å; T62-R122 HydrophobicContact CG2-CG 3.98Å; T62-G248 PolarHBondContact OG1-N 2.93Å
63	T	97	Very high	94.9	Very high	29 Å²	29	29.6 Å²	29.6	18%	0.178	19%	0.185	C	C	.	.	S	Bend	trans	-107.8	-40.6	-174.8	-54.6	0	0	0	0	111.7	P88 S89 G247 E276	T63-P88 CarbonylContact O-C 3.59Å; T63-P88 WeakPolarHBondContact O-CA 3.29Å; T63-S89 PolarHBondContact O-N 2.81Å; T63-G247 WeakPolarHBondContact OG1-CA 3.23Å; T63-E276 PolarHBondContact OG1-OE1 3.29Å
64	N	97.9	Very high	95.3	Very high	63 Å²	63	34 Å²	34	34%	0.337	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.3	176.9	-60.6	-60.3	0	0	0	109.6	G61 T87	G61-N64 CarbonylContact C-O 3.32Å; G61-N64 WeakPolarHBondContact CA-O 3.01Å; G61-N64 PolarHBondContact N-O 3.04Å; N64-T87 CarbonylContact C-O 3.52Å; N64-T87 WeakPolarHBondContact CA-O 3.18Å
65	S	98.6	Very high	95.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.2	169.3	-60.5	0	0	0	0	110.3	D59 T86 T87 S89 V170	D59-S65 CarbonylContact O-C 3.54Å; D59-S65 WeakPolarHBondContact O-CA 3.43Å; D59-S65 VanDerWaalsContact O-CB 3.23Å; D59-S65 WeakPolarHBondContact O-CB 3.48Å; S65-T86 CarbonylContact O-C 3.59Å; S65-T86 WeakPolarHBondContact O-CA 3.49Å; S65-T87 PolarHBondContact N-O 3.32Å; S65-T87 PolarHBondContact O-N 3Å; S65-S89 PolarHBondContact N-OG 2.78Å; S65-S89 PolarHBondContact OG-OG 2.87Å; S65-V170 VanDerWaalsContact OG-CG1 3.29Å; S65-V170 WeakPolarHBondContact OG-CG1 3.4Å
66	C	98.6	Very high	95.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.4	-179.5	-177.3	0	0	0	0	109.5	I58 D59 V77 R85 T86 A418	I58-C66 WeakPolarHBondContact CA-O 3.35Å; D59-C66 HydrophobicContact CB-CB 4.23Å; D59-C66 PolarHBondContact N-O 2.67Å; D59-C66 PolarHBondContact O-N 2.8Å; C66-V77 WeakPolarHBondContact SG-CG1 3.4Å; C66-R85 PolarHBondContact SG-O 2.87Å; C66-T86 HydrophobicContact CB-CG2 4.37Å; C66-A418 HydrophobicContact CB-CB 3.79Å; C66-A418 VanDerWaalsContact SG-CB 3.54Å
67	V	98.7	Very high	95.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.1	178.1	62.7	0	0	0	0	110.6	I56 G57 I58 V77 L78 M174 T177 A178	I56-V67 HydrophobicContact CB-CG2 4.34Å; I56-V67 HydrophobicContact CD1-CG2 4.06Å; G57-V67 CarbonylContact O-C 3.56Å; G57-V67 WeakPolarHBondContact O-CA 3.34Å; I58-V67 HydrophobicContact CG1-CG2 4.04Å; V67-V77 WeakPolarHBondContact O-CA 3.34Å; V67-L78 HydrophobicContact CG1-CB 4.21Å; V67-L78 PolarHBondContact O-N 3.27Å; V67-M174 HydrophobicContact CB-CB 4.18Å; V67-M174 HydrophobicContact CB-SD 4.26Å; V67-M174 HydrophobicContact CG1-SD 4.27Å; V67-T177 HydrophobicContact CG1-CG2 3.83Å; V67-A178 HydrophobicContact CG2-CB 4.31Å
68	A	98.4	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158	177.9	0	0	0	0	0	111.4	G57 K76 V77 A418 A422	G57-A68 PolarHBondContact N-O 2.84Å; G57-A68 PolarHBondContact O-N 2.93Å; A68-K76 CarbonylContact C-O 3.53Å; A68-K76 WeakPolarHBondContact CA-O 3.33Å; A68-K76 WeakPolarHBondContact CB-O 3.49Å; A68-V77 HydrophobicContact CB-CG2 3.83Å; A68-A418 HydrophobicContact CB-CB 4.16Å; A68-A418 WeakPolarHBondContact CB-O 3.4Å; A68-A422 HydrophobicContact CB-CB 3.8Å
69	V	97.1	Very high	95.5	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158	177.9	-57.5	0	0	0	0	110.2	I56 E71 A75 K76 L78 Y181 L182	I56-V69 HydrophobicContact CB-CG1 4.32Å; I56-V69 HydrophobicContact CG2-CG1 3.74Å; V69-E71 HydrophobicContact CG2-CG 4.35Å; V69-A75 CarbonylContact O-C 3.48Å; V69-A75 WeakPolarHBondContact O-CA 3.28Å; V69-K76 PolarHBondContact N-O 3.37Å; V69-K76 PolarHBondContact O-N 2.86Å; V69-L78 HydrophobicContact CG1-CD1 3.79Å; V69-L78 HydrophobicContact CG1-CG 4.4Å; V69-L78 HydrophobicContact CG2-CD1 4.4Å; V69-L78 HydrophobicContact CG2-CD2 3.93Å; V69-L78 HydrophobicContact CG2-CG 4.41Å; V69-Y181 HydrophobicContact CG2-CE1 4.42Å; V69-L182 HydrophobicContact CG1-CD1 4.42Å
70	M	94.3	Very high	95.4	Very high	32 Å²	32	41.2 Å²	41.2	16%	0.158	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.4	168.9	-68	-61.4	-62	0	0	109.8	A75 A422 I423 V432	M70-A75 HydrophobicContact SD-CB 3.7Å; M70-A422 HydrophobicContact CG-CB 4.45Å; M70-A422 WeakPolarHBondContact CG-O 3.21Å; M70-A422 HydrophobicContact SD-CB 4.42Å; M70-I423 HydrophobicContact SD-CG1 4.07Å; M70-V432 HydrophobicContact CE-CG2 3.79Å
71	E	90.1	Very high	95.1	Very high	85 Å²	85	44.3 Å²	44.3	40%	0.397	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	93.5	167	-68.2	-169.7	156.7	0	0	108.6	V69 K73 Q74 K76 Y181	V69-E71 HydrophobicContact CG2-CG 4.35Å; E71-K73 PolarHBondContact O-N 3.39Å; E71-K73 VanDerWaalsContact O-N 3.07Å; E71-Q74 PolarHBondContact N-O 2.95Å; E71-Q74 PolarHBondContact O-N 3.38Å; E71-Q74 VanDerWaalsContact O-N 3.12Å; E71-K76 VanDerWaalsContact OE2-CD 3.28Å; E71-K76 WeakPolarHBondContact OE2-CD 3.26Å; E71-K76 IonicContact OE2-NZ 2.93Å; E71-Y181 WeakPolarHBondContact OE1-CE1 3.41Å; E71-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E71-Y181 PolarHBondContact OE1-OH 2.88Å
72	G	86.6	Confident	95	Very high	60 Å²	60	47.1 Å²	47.1	62%	0.619	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-112.3	-169	0	0	0	0	0	110.5
73	K	84.3	Confident	94.9	Very high	165 Å²	165	49.2 Å²	49.2	72%	0.717	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-7.6	179.7	-65.4	-169.6	176.6	-170	0	114.4	E71	E71-K73 PolarHBondContact O-N 3.39Å; E71-K73 VanDerWaalsContact O-N 3.07Å
74	Q	89.8	Confident	94.8	Very high	153 Å²	153	49.5 Å²	49.5	72%	0.715	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	133.1	-177.2	-68.2	-172.5	-3.2	0	0	110.7	E71	E71-Q74 PolarHBondContact N-O 2.95Å; E71-Q74 PolarHBondContact O-N 3.38Å; E71-Q74 VanDerWaalsContact O-N 3.12Å
75	A	94.3	Very high	94.8	Very high	27 Å²	27	50.5 Å²	50.5	22%	0.223	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135	170.9	0	0	0	0	0	110.2	V69 M70 I419 A422 I423	V69-A75 CarbonylContact O-C 3.48Å; V69-A75 WeakPolarHBondContact O-CA 3.28Å; M70-A75 HydrophobicContact SD-CB 3.7Å; A75-I419 HydrophobicContact CB-CB 4.48Å; A75-I419 HydrophobicContact CB-CG2 3.74Å; A75-A422 HydrophobicContact CB-CB 4.31Å; A75-I423 HydrophobicContact CB-CD1 4.48Å; A75-I423 HydrophobicContact CB-CG1 3.97Å
76	K	96	Very high	94.8	Very high	80 Å²	80	52.5 Å²	52.5	35%	0.348	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.1	-178.5	-176.3	176.7	-176.2	176.5	0	110.8	A68 V69 E71 Y181	A68-K76 CarbonylContact C-O 3.53Å; A68-K76 WeakPolarHBondContact CA-O 3.33Å; A68-K76 WeakPolarHBondContact CB-O 3.49Å; V69-K76 PolarHBondContact N-O 3.37Å; V69-K76 PolarHBondContact O-N 2.86Å; E71-K76 VanDerWaalsContact OE2-CD 3.28Å; E71-K76 WeakPolarHBondContact OE2-CD 3.26Å; E71-K76 IonicContact OE2-NZ 2.93Å; K76-Y181 WeakPolarHBondContact CE-OH 3.48Å; K76-Y181 PolarHBondContact NZ-OH 2.97Å
77	V	98.1	Very high	94.8	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.4	168.9	162.6	0	0	0	0	110.2	C66 V67 A68 R85 E415 A418 I419	C66-V77 WeakPolarHBondContact SG-CG1 3.4Å; V67-V77 WeakPolarHBondContact O-CA 3.34Å; A68-V77 HydrophobicContact CB-CG2 3.83Å; V77-R85 VanDerWaalsContact CB-NH2 3.31Å; V77-R85 HydrophobicContact CG1-CB 3.94Å; V77-R85 HydrophobicContact CG1-CG 4.48Å; V77-R85 PolarHBondContact O-NH1 3.21Å; V77-R85 PolarHBondContact O-NH2 3.43Å; V77-E415 HydrophobicContact CG1-CG 4.28Å; V77-E415 HydrophobicContact CG2-CB 4.05Å; V77-E415 HydrophobicContact CG2-CG 4.21Å; V77-A418 HydrophobicContact CG2-CB 4.39Å; V77-I419 HydrophobicContact CG2-CD1 4.27Å; V77-I419 HydrophobicContact CG2-CG1 3.7Å
78	L	98.3	Very high	94.8	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-99.2	147.8	-174.9	-53.1	-175.6	0	0	0	111.7	V67 V69 T177 A178 Y181	V67-L78 HydrophobicContact CG1-CB 4.21Å; V67-L78 PolarHBondContact O-N 3.27Å; V69-L78 HydrophobicContact CG1-CD1 3.79Å; V69-L78 HydrophobicContact CG1-CG 4.4Å; V69-L78 HydrophobicContact CG2-CD1 4.4Å; V69-L78 HydrophobicContact CG2-CD2 3.93Å; V69-L78 HydrophobicContact CG2-CG 4.41Å; L78-T177 HydrophobicContact CB-CG2 4.14Å; L78-A178 HydrophobicContact CD1-CB 4Å; L78-Y181 HydrophobicContact CD1-CD1 4.04Å; L78-Y181 HydrophobicContact CD1-CG 4.01Å; L78-Y181 HydrophobicContact CD2-CD1 3.53Å; L78-Y181 HydrophobicContact CD2-CD2 3.91Å; L78-Y181 HydrophobicContact CD2-CE1 3.71Å; L78-Y181 HydrophobicContact CD2-CE2 4.07Å; L78-Y181 HydrophobicContact CD2-CG 3.64Å; L78-Y181 HydrophobicContact CG-CD1 4.44Å; L78-Y181 HydrophobicContact CG-CG 4.39Å
79	E	98	Very high	94.8	Very high	119 Å²	119	53 Å²	53	56%	0.556	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-85.8	137.3	171.2	-70.2	170.8	-168.3	0	0	109.9	A84 R85 T177	E79-A84 WeakPolarHBondContact CA-O 3.41Å; E79-R85 HydrophobicContact CG-CG 3.75Å; E79-T177 VanDerWaalsContact O-CG2 3.29Å; E79-T177 WeakPolarHBondContact O-CG2 3.29Å
80	N	96.3	Very high	94.8	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.053	30%	0.302	C	S	.	.			trans	-73.5	175.2	172.4	66.5	17.1	0	0	0	111.5	E82 G83 A84 T87 T177	N80-E82 PolarHBondContact ND2-OE2 2.83Å; N80-E82 PolarHBondContact O-N 3.24Å; N80-E82 WeakPolarHBondContact OD1-CA 3.23Å; N80-E82 WeakPolarHBondContact OD1-CB 3.32Å; N80-E82 PolarHBondContact OD1-N 3.11Å; N80-E82 PolarHBondContact OD1-OE2 2.77Å; N80-G83 PolarHBondContact O-N 3.26Å; N80-G83 PolarHBondContact OD1-N 2.88Å; N80-G83 VanDerWaalsContact OD1-N 3.11Å; N80-A84 PolarHBondContact N-O 3.39Å; N80-A84 PolarHBondContact OD1-N 2.93Å; N80-A84 PolarHBondContact OD1-O 2.82Å; N80-T87 PolarHBondContact ND2-OG1 3.46Å; N80-T177 HydrophobicContact CB-CG2 4.37Å
81	A	92.2	Very high	95	Very high	72 Å²	72	52 Å²	52	60%	0.595	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.1	178.4	0	0	0	0	0	113.5	G83	A81-G83 VanDerWaalsContact C-N 3.34Å
82	E	93.1	Very high	95.4	Very high	72 Å²	72	48 Å²	48	34%	0.336	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.9	177.6	-56.8	77.4	-156.2	0	0	113.2	N80 M103 K173	N80-E82 PolarHBondContact ND2-OE2 2.83Å; N80-E82 PolarHBondContact O-N 3.24Å; N80-E82 WeakPolarHBondContact OD1-CA 3.23Å; N80-E82 WeakPolarHBondContact OD1-CB 3.32Å; N80-E82 PolarHBondContact OD1-N 3.11Å; N80-E82 PolarHBondContact OD1-OE2 2.77Å; E82-M103 HydrophobicContact CG-CB 4.45Å; E82-K173 IonicContact OE1-NZ 2.84Å; E82-K173 PolarHBondContact OE1-NZ 2.81Å; E82-K173 IonicContact OE2-NZ 2.74Å
83	G	94.3	Very high	95.8	Very high	51 Å²	51	45.8 Å²	45.8	53%	0.526	25%	0.249	S	C	.	.	S	Bend	trans	78	14.4	178	0	0	0	0	0	114.7	N80 A81	N80-G83 PolarHBondContact O-N 3.26Å; N80-G83 PolarHBondContact OD1-N 2.88Å; N80-G83 VanDerWaalsContact OD1-N 3.11Å; A81-G83 VanDerWaalsContact C-N 3.34Å
84	A	96.9	Very high	96.2	Very high	34 Å²	34	38.7 Å²	38.7	28%	0.281	22%	0.219	S	C	.	.			trans	-105.7	142.5	178.6	0	0	0	0	0	111.5	E79 N80 T86	E79-A84 WeakPolarHBondContact CA-O 3.41Å; N80-A84 PolarHBondContact N-O 3.39Å; N80-A84 PolarHBondContact OD1-N 2.93Å; N80-A84 PolarHBondContact OD1-O 2.82Å; A84-T86 VanDerWaalsContact C-N 3.27Å; A84-T86 WeakPolarHBondContact CB-O 3.41Å; A84-T86 PolarHBondContact O-N 2.95Å
85	R	97.4	Very high	96.1	Very high	85 Å²	85	35.5 Å²	35.5	32%	0.321	22%	0.219	S	C	.	.	S	Bend	trans	-77	-14.3	178.2	-63.1	177	68.6	75.8	-7	113.6	C66 V77 E79 E415	C66-R85 PolarHBondContact SG-O 2.87Å; V77-R85 VanDerWaalsContact CB-NH2 3.31Å; V77-R85 HydrophobicContact CG1-CB 3.94Å; V77-R85 HydrophobicContact CG1-CG 4.48Å; V77-R85 PolarHBondContact O-NH1 3.21Å; V77-R85 PolarHBondContact O-NH2 3.43Å; E79-R85 HydrophobicContact CG-CG 3.75Å; R85-E415 IonicContact CZ-OE1 3.75Å; R85-E415 IonicContact CZ-OE2 2.79Å; R85-E415 VanDerWaalsContact NE-CD 3.34Å; R85-E415 IonicContact NE-OE1 3.38Å; R85-E415 PolarHBondContact NE-OE1 3.27Å; R85-E415 IonicContact NE-OE2 2.85Å; R85-E415 PolarHBondContact NE-OE2 3.23Å; R85-E415 IonicContact NH2-OE1 3.29Å; R85-E415 IonicContact NH2-OE2 2.92Å; R85-E415 PolarHBondContact NH2-OE2 3.44Å
86	T	97.9	Very high	95.6	Very high	42 Å²	42	41.2 Å²	41.2	26%	0.258	24%	0.241	S	C	.	.	S	Bend	trans	-128.2	147.2	174.8	63.1	0	0	0	0	109.7	S65 C66 A84 D414	S65-T86 CarbonylContact O-C 3.59Å; S65-T86 WeakPolarHBondContact O-CA 3.49Å; C66-T86 HydrophobicContact CB-CG2 4.37Å; A84-T86 VanDerWaalsContact C-N 3.27Å; A84-T86 WeakPolarHBondContact CB-O 3.41Å; A84-T86 PolarHBondContact O-N 2.95Å; T86-D414 HydrophobicContact CG2-CB 4.44Å
87	T	98.5	Very high	94.8	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.8	179.4	-61	0	0	0	0	110.1	N64 S65 N80 S89 K173 M174	N64-T87 CarbonylContact C-O 3.52Å; N64-T87 WeakPolarHBondContact CA-O 3.18Å; S65-T87 PolarHBondContact N-O 3.32Å; S65-T87 PolarHBondContact O-N 3Å; N80-T87 PolarHBondContact ND2-OG1 3.46Å; T87-S89 PolarHBondContact O-N 2.88Å; T87-K173 HydrophobicContact CG2-CG 4.27Å; T87-M174 VanDerWaalsContact CB-CE 3.49Å; T87-M174 HydrophobicContact CG2-CE 3.82Å; T87-M174 WeakPolarHBondContact OG1-CE 3.48Å
88	P	98.3	Very high	94.3	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.032	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	132.1	174.5	-26.4	34.7	0	0	0	111.9	T63 V90 G102 M103 K106	T63-P88 CarbonylContact O-C 3.59Å; T63-P88 WeakPolarHBondContact O-CA 3.29Å; P88-V90 HydrophobicContact CB-CB 4.4Å; P88-V90 HydrophobicContact CB-CG2 3.87Å; P88-V90 PolarHBondContact O-N 3.45Å; P88-G102 VanDerWaalsContact O-CA 3.31Å; P88-G102 WeakPolarHBondContact O-CA 3.32Å; P88-M103 HydrophobicContact CG-CE 4.03Å; P88-K106 HydrophobicContact CB-CB 4.38Å; P88-K106 HydrophobicContact CB-CD 4.21Å; P88-K106 HydrophobicContact CG-CD 4.17Å
89	S	98.4	Very high	94.1	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.063	27%	0.269	C	S	.	.			trans	-79.1	58.8	174.9	-62	0	0	0	0	110.2	G61 T63 S65 T87	G61-S89 VanDerWaalsContact O-CB 3.31Å; G61-S89 WeakPolarHBondContact O-CB 3.48Å; G61-S89 PolarHBondContact O-OG 2.86Å; T63-S89 PolarHBondContact O-N 2.81Å; S65-S89 PolarHBondContact N-OG 2.78Å; S65-S89 PolarHBondContact OG-OG 2.87Å; T87-S89 PolarHBondContact O-N 2.88Å
90	V	98.4	Very high	93.9	Very high	14 Å²	14	39.7 Å²	39.7	9%	0.085	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.4	-175.5	-173.9	0	0	0	0	108.7	P88 V101 G102 A105 K106 T116 L117	P88-V90 HydrophobicContact CB-CB 4.4Å; P88-V90 HydrophobicContact CB-CG2 3.87Å; P88-V90 PolarHBondContact O-N 3.45Å; V90-V101 WeakPolarHBondContact O-CA 3.44Å; V90-G102 PolarHBondContact O-N 3.15Å; V90-A105 HydrophobicContact CB-CB 4.21Å; V90-A105 HydrophobicContact CG1-CB 3.85Å; V90-A105 WeakPolarHBondContact O-CB 3.47Å; V90-K106 HydrophobicContact CG2-CB 4.38Å; V90-T116 HydrophobicContact CG1-CG2 3.5Å; V90-L117 WeakPolarHBondContact CA-O 3.37Å
91	V	98.2	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.3	175.9	-178.3	0	0	0	0	108.6	F93 R99 L100 V101 T116 L117 V166 F169 V170	V91-F93 HydrophobicContact CG1-CE2 4.13Å; V91-F93 HydrophobicContact CG1-CZ 4.17Å; V91-R99 HydrophobicContact CG1-CG 4.06Å; V91-L100 CarbonylContact C-O 3.58Å; V91-L100 VanDerWaalsContact CA-O 3.3Å; V91-L100 WeakPolarHBondContact CA-O 3.3Å; V91-V101 HydrophobicContact CG1-CG2 4.47Å; V91-V101 HydrophobicContact CG2-CG2 4.34Å; V91-T116 CarbonylContact O-C 3.54Å; V91-L117 PolarHBondContact N-O 3.18Å; V91-L117 PolarHBondContact O-N 3.42Å; V91-V166 HydrophobicContact CB-CG1 4.16Å; V91-V166 HydrophobicContact CG2-CG1 3.81Å; V91-F169 HydrophobicContact CG1-CB 4.4Å; V91-F169 HydrophobicContact CG1-CD2 3.89Å; V91-F169 HydrophobicContact CG2-CB 3.93Å; V91-F169 HydrophobicContact CG2-CD2 4.41Å; V91-V170 HydrophobicContact CG2-CG2 3.96Å
92	A	97.7	Very high	94.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.7	175.5	0	0	0	0	0	111.7	R99 L100 A105 Q108 N115 T116	A92-R99 CarbonylContact O-C 3.57Å; A92-R99 WeakPolarHBondContact O-CA 3.47Å; A92-L100 HydrophobicContact CB-CB 4.31Å; A92-L100 PolarHBondContact N-O 3.37Å; A92-L100 PolarHBondContact O-N 2.83Å; A92-A105 HydrophobicContact CB-CB 3.86Å; A92-Q108 HydrophobicContact CB-CG 4.46Å; A92-N115 WeakPolarHBondContact CA-O 3.24Å; A92-T116 HydrophobicContact CB-CG2 4.14Å
93	F	95.6	Very high	94.3	Very high	14 Å²	14	36.1 Å²	36.1	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.4	171.9	-61.2	-82.9	0	0	0	109.7	V91 E98 R99 N112 N115 L117 A156 H157 Y161 F169	V91-F93 HydrophobicContact CG1-CE2 4.13Å; V91-F93 HydrophobicContact CG1-CZ 4.17Å; F93-E98 CarbonylContact C-O 3.48Å; F93-E98 VanDerWaalsContact CA-O 3.25Å; F93-E98 WeakPolarHBondContact CA-O 3.48Å; F93-R99 HydrophobicContact CD1-CB 4.2Å; F93-R99 HydrophobicContact CD1-CG 4.41Å; F93-R99 HydrophobicContact CE1-CB 4.03Å; F93-R99 HydrophobicContact CE1-CG 3.91Å; F93-R99 HydrophobicContact CZ-CG 4.46Å; F93-N112 PolarHBondContact O-ND2 3.18Å; F93-N115 PolarHBondContact N-O 3.04Å; F93-L117 HydrophobicContact CD2-CD1 4.47Å; F93-L117 HydrophobicContact CE2-CD1 3.87Å; F93-A156 HydrophobicContact CB-CB 4.46Å; F93-A156 HydrophobicContact CD2-CB 3.52Å; F93-A156 HydrophobicContact CE2-CB 4.13Å; F93-A156 HydrophobicContact CG-CB 4.3Å; F93-H157 PolarHBondContact O-NE2 3.39Å; F93-Y161 HydrophobicContact CD2-CE2 4.39Å; F93-Y161 HydrophobicContact CE1-CE1 4.14Å; F93-Y161 AromaticContact CE1-CZ 3.9Å; F93-Y161 HydrophobicContact CE2-CD2 4.2Å; F93-Y161 HydrophobicContact CE2-CE1 4.31Å; F93-Y161 AromaticContact CE2-CE2 3.86Å; F93-Y161 HydrophobicContact CE2-CE2 3.86Å; F93-Y161 AromaticContact CE2-CZ 3.91Å; F93-Y161 HydrophobicContact CZ-CD1 4.17Å; F93-Y161 HydrophobicContact CZ-CD2 4.46Å; F93-Y161 AromaticContact CZ-CE1 3.64Å; F93-Y161 HydrophobicContact CZ-CE1 3.64Å; F93-Y161 AromaticContact CZ-CE2 3.98Å; F93-Y161 HydrophobicContact CZ-CE2 3.98Å; F93-Y161 AromaticContact CZ-CZ 3.53Å; F93-F169 HydrophobicContact CZ-CD2 4.33Å; F93-F169 AromaticContact CZ-CE2 3.74Å; F93-F169 HydrophobicContact CZ-CE2 3.74Å; F93-F169 HydrophobicContact CZ-CZ 4.43Å
94	T	92.4	Very high	94.4	Very high	16 Å²	16	36 Å²	36	10%	0.098	21%	0.213	C	C	.	.			trans	-74.8	168.8	178.6	80	0	0	0	0	110.9	E96 G97 E98 L100 H157	T94-E96 WeakPolarHBondContact CB-OE2 3.46Å; T94-E96 PolarHBondContact O-N 3.34Å; T94-E96 PolarHBondContact OG1-N 3.38Å; T94-E96 PolarHBondContact OG1-OE2 3.1Å; T94-G97 PolarHBondContact O-N 3.3Å; T94-G97 VanDerWaalsContact O-N 3.1Å; T94-E98 HydrophobicContact CG2-CB 3.77Å; T94-E98 HydrophobicContact CG2-CG 4.48Å; T94-E98 PolarHBondContact N-O 3Å; T94-E98 WeakPolarHBondContact OG1-CB 3.37Å; T94-E98 PolarHBondContact OG1-N 3.12Å; T94-L100 HydrophobicContact CG2-CD1 3.8Å; T94-L100 HydrophobicContact CG2-CG 4.07Å; T94-H157 PolarHBondContact O-NE2 2.97Å; T94-H157 VanDerWaalsContact O-NE2 3.1Å
95	A	88.1	Confident	94.4	Very high	86 Å²	86	34.3 Å²	34.3	71%	0.711	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-28	178.2	0	0	0	0	0	112.2	G97	A95-G97 PolarHBondContact O-N 3.03Å
96	E	83.1	Confident	94.3	Very high	148 Å²	148	33.1 Å²	33.1	69%	0.692	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	0.5	177.3	-53.3	70.2	-147.7	0	0	112.3	T94	T94-E96 WeakPolarHBondContact CB-OE2 3.46Å; T94-E96 PolarHBondContact O-N 3.34Å; T94-E96 PolarHBondContact OG1-N 3.38Å; T94-E96 PolarHBondContact OG1-OE2 3.1Å
97	G	80.7	Confident	94.1	Very high	58 Å²	58	40.1 Å²	40.1	60%	0.598	22%	0.218	S	C	*	.	S	Bend	trans	83.5	9.8	-179.5	0	0	0	0	0	114.6	T94 A95	T94-G97 PolarHBondContact O-N 3.3Å; T94-G97 VanDerWaalsContact O-N 3.1Å; A95-G97 PolarHBondContact O-N 3.03Å
98	E	86.7	Confident	93.9	Very high	53 Å²	53	41.7 Å²	41.7	25%	0.248	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-69.8	139	175.7	-170.3	173.7	-165.4	0	0	111.4	F93 T94 L100 R575	F93-E98 CarbonylContact C-O 3.48Å; F93-E98 VanDerWaalsContact CA-O 3.25Å; F93-E98 WeakPolarHBondContact CA-O 3.48Å; T94-E98 HydrophobicContact CG2-CB 3.77Å; T94-E98 HydrophobicContact CG2-CG 4.48Å; T94-E98 PolarHBondContact N-O 3Å; T94-E98 WeakPolarHBondContact OG1-CB 3.37Å; T94-E98 PolarHBondContact OG1-N 3.12Å; E98-L100 HydrophobicContact CG-CD2 3.99Å; E98-L100 HydrophobicContact CG-CG 4.49Å; E98-R575 IonicContact OE1-CZ 2.8Å; E98-R575 VanDerWaalsContact OE1-CZ 3.3Å; E98-R575 IonicContact OE1-NE 3.9Å; E98-R575 IonicContact OE1-NH1 3.46Å; E98-R575 IonicContact OE1-NH2 2.88Å; E98-R575 PolarHBondContact OE1-NH2 2.51Å; E98-R575 IonicContact OE2-CZ 3.59Å; E98-R575 IonicContact OE2-NH1 2.83Å; E98-R575 PolarHBondContact OE2-NH1 3.06Å; E98-R575 IonicContact OE2-NH2 2.69Å; E98-R575 PolarHBondContact OE2-NH2 3.24Å
99	R	93.1	Very high	93.7	Very high	30 Å²	30	41.7 Å²	41.7	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.2	170.8	-178.6	-176.7	61.2	-160.3	-2.7	110	V91 A92 F93 V101 D572	V91-R99 HydrophobicContact CG1-CG 4.06Å; A92-R99 CarbonylContact O-C 3.57Å; A92-R99 WeakPolarHBondContact O-CA 3.47Å; F93-R99 HydrophobicContact CD1-CB 4.2Å; F93-R99 HydrophobicContact CD1-CG 4.41Å; F93-R99 HydrophobicContact CE1-CB 4.03Å; F93-R99 HydrophobicContact CE1-CG 3.91Å; F93-R99 HydrophobicContact CZ-CG 4.46Å; R99-V101 HydrophobicContact CG-CG2 4.32Å; R99-D572 IonicContact CZ-OD2 3.21Å; R99-D572 IonicContact NE-OD2 3.34Å; R99-D572 IonicContact NH2-OD2 2.67Å; R99-D572 PolarHBondContact NH2-OD2 2.82Å
100	L	94.9	Very high	93.4	Very high	31 Å²	31	42.6 Å²	42.6	16%	0.162	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.9	172.4	-56.5	176.3	0	0	0	109.6	V91 A92 T94 E98 P104 A105 Q108	V91-L100 CarbonylContact C-O 3.58Å; V91-L100 VanDerWaalsContact CA-O 3.3Å; V91-L100 WeakPolarHBondContact CA-O 3.3Å; A92-L100 HydrophobicContact CB-CB 4.31Å; A92-L100 PolarHBondContact N-O 3.37Å; A92-L100 PolarHBondContact O-N 2.83Å; T94-L100 HydrophobicContact CG2-CD1 3.8Å; T94-L100 HydrophobicContact CG2-CG 4.07Å; E98-L100 HydrophobicContact CG-CD2 3.99Å; E98-L100 HydrophobicContact CG-CG 4.49Å; L100-P104 HydrophobicContact CB-CB 4.44Å; L100-P104 HydrophobicContact CD2-CB 4.41Å; L100-A105 HydrophobicContact CB-CB 3.95Å; L100-Q108 HydrophobicContact CD1-CG 3.85Å
101	V	97	Very high	93	Very high	19 Å²	19	47.3 Å²	47.3	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141	176.8	-176	0	0	0	0	109.6	V90 V91 R99 P104 F169 V170 K173	V90-V101 WeakPolarHBondContact O-CA 3.44Å; V91-V101 HydrophobicContact CG1-CG2 4.47Å; V91-V101 HydrophobicContact CG2-CG2 4.34Å; R99-V101 HydrophobicContact CG-CG2 4.32Å; V101-P104 WeakPolarHBondContact O-CD 3.3Å; V101-F169 HydrophobicContact CG2-CB 4.19Å; V101-V170 HydrophobicContact CG1-CG2 4.34Å; V101-K173 HydrophobicContact CB-CB 4.46Å; V101-K173 HydrophobicContact CG1-CB 3.9Å; V101-K173 HydrophobicContact CG1-CG 4.31Å
102	G	97.4	Very high	92.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	83.9	-139.1	175.1	0	0	0	0	0	113.8	P88 V90 A105 K106	P88-G102 VanDerWaalsContact O-CA 3.31Å; P88-G102 WeakPolarHBondContact O-CA 3.32Å; V90-G102 PolarHBondContact O-N 3.15Å; G102-A105 PolarHBondContact O-N 3.27Å; G102-K106 PolarHBondContact O-N 3.03Å
103	M	96.1	Very high	92.7	Very high	60 Å²	60	49.1 Å²	49.1	30%	0.296	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-41.9	-177	-170.8	60.7	66.1	0	0	113.5	E82 P88 A105 K106 R107	E82-M103 HydrophobicContact CG-CB 4.45Å; P88-M103 HydrophobicContact CG-CE 4.03Å; M103-A105 VanDerWaalsContact C-N 3.31Å; M103-A105 PolarHBondContact O-N 3.29Å; M103-K106 PolarHBondContact O-N 3.15Å; M103-R107 HydrophobicContact CG-CG 4.41Å; M103-R107 WeakPolarHBondContact O-CG 3.39Å; M103-R107 PolarHBondContact O-N 2.84Å; M103-R107 HydrophobicContact SD-CG 4.39Å
104	P	94.9	Very high	92.6	Very high	48 Å²	48	54.2 Å²	54.2	31%	0.312	29%	0.292	S	S	.	.	H	α-helix	trans	-56.3	-43.4	173.7	-26.5	35.8	0	0	0	113	L100 V101 R107 Q108	L100-P104 HydrophobicContact CB-CB 4.44Å; L100-P104 HydrophobicContact CD2-CB 4.41Å; V101-P104 WeakPolarHBondContact O-CD 3.3Å; P104-R107 PolarHBondContact O-N 3.44Å; P104-Q108 WeakPolarHBondContact O-CG 3.46Å
105	A	96.9	Very high	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-43.1	176.5	0	0	0	0	0	111.9	V90 A92 L100 G102 M103 R107 Q108	V90-A105 HydrophobicContact CB-CB 4.21Å; V90-A105 HydrophobicContact CG1-CB 3.85Å; V90-A105 WeakPolarHBondContact O-CB 3.47Å; A92-A105 HydrophobicContact CB-CB 3.86Å; L100-A105 HydrophobicContact CB-CB 3.95Å; G102-A105 PolarHBondContact O-N 3.27Å; M103-A105 VanDerWaalsContact C-N 3.31Å; M103-A105 PolarHBondContact O-N 3.29Å; A105-R107 VanDerWaalsContact C-N 3.35Å; A105-R107 PolarHBondContact O-N 3.21Å; A105-Q108 PolarHBondContact O-NE2 3Å
106	K	95.6	Very high	93.2	Very high	59 Å²	59	50.5 Å²	50.5	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-41.2	177.5	-170.9	167.5	-176.9	166.9	0	111.9	P88 V90 G102 M103 Q108 A109 E313	P88-K106 HydrophobicContact CB-CB 4.38Å; P88-K106 HydrophobicContact CB-CD 4.21Å; P88-K106 HydrophobicContact CG-CD 4.17Å; V90-K106 HydrophobicContact CG2-CB 4.38Å; G102-K106 PolarHBondContact O-N 3.03Å; M103-K106 PolarHBondContact O-N 3.15Å; K106-Q108 PolarHBondContact O-N 3.49Å; K106-A109 VanDerWaalsContact O-CB 3.3Å; K106-A109 WeakPolarHBondContact O-CB 3.23Å; K106-A109 PolarHBondContact O-N 3.48Å; K106-E313 IonicContact NZ-OE1 3.93Å; K106-E313 PolarHBondContact NZ-OE1 3.35Å; K106-E313 IonicContact NZ-OE2 3.14Å; K106-E313 PolarHBondContact NZ-OE2 2.88Å
107	R	94.4	Very high	93.9	Very high	190 Å²	190	43.5 Å²	43.5	72%	0.717	23%	0.227	S	C	*	.	H	α-helix	trans	-63.1	-36.1	-177.2	-75.6	175.5	-177.8	170.4	2.4	114.3	M103 P104 A105	M103-R107 HydrophobicContact CG-CG 4.41Å; M103-R107 WeakPolarHBondContact O-CG 3.39Å; M103-R107 PolarHBondContact O-N 2.84Å; M103-R107 HydrophobicContact SD-CG 4.39Å; P104-R107 PolarHBondContact O-N 3.44Å; A105-R107 VanDerWaalsContact C-N 3.35Å; A105-R107 PolarHBondContact O-N 3.21Å
108	Q	94	Very high	94.7	Very high	35 Å²	35	41.6 Å²	41.6	16%	0.164	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.9	-178.5	62.9	73.6	73.6	0	0	113.9	A92 L100 P104 A105 K106 V110 T111 N112 T116	A92-Q108 HydrophobicContact CB-CG 4.46Å; L100-Q108 HydrophobicContact CD1-CG 3.85Å; P104-Q108 WeakPolarHBondContact O-CG 3.46Å; A105-Q108 PolarHBondContact O-NE2 3Å; K106-Q108 PolarHBondContact O-N 3.49Å; Q108-V110 PolarHBondContact O-N 3.38Å; Q108-T111 PolarHBondContact O-N 3.34Å; Q108-T111 VanDerWaalsContact O-N 3.16Å; Q108-T111 PolarHBondContact O-OG1 3.22Å; Q108-N112 PolarHBondContact O-N 3.06Å; Q108-N112 VanDerWaalsContact O-N 3.1Å; Q108-N112 PolarHBondContact OE1-ND2 3.15Å; Q108-T116 PolarHBondContact NE2-OG1 3Å
109	A	93.4	Very high	95.2	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.041	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.7	-175.4	0	0	0	0	0	112.7	K106 T111 N112 P113 T116	K106-A109 VanDerWaalsContact O-CB 3.3Å; K106-A109 WeakPolarHBondContact O-CB 3.23Å; K106-A109 PolarHBondContact O-N 3.48Å; A109-T111 PolarHBondContact O-N 3.14Å; A109-N112 CarbonylContact O-C 3.45Å; A109-N112 PolarHBondContact O-N 3.44Å; A109-P113 VanDerWaalsContact O-CA 3.27Å; A109-P113 WeakPolarHBondContact O-CA 3.49Å; A109-P113 WeakPolarHBondContact O-CD 3.32Å; A109-P113 VanDerWaalsContact O-N 3.11Å; A109-T116 HydrophobicContact CB-CG2 3.84Å
110	V	91.8	Very high	95.3	Very high	29 Å²	29	38.7 Å²	38.7	18%	0.176	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-45.2	177.6	178.1	0	0	0	0	112.8	Q108 M303 R307 E310	Q108-V110 PolarHBondContact O-N 3.38Å; V110-M303 HydrophobicContact CG1-CG 4.34Å; V110-R307 HydrophobicContact CG1-CG 3.53Å; V110-R307 HydrophobicContact CG2-CG 4.37Å; V110-E310 VanDerWaalsContact CG2-CD 3.42Å; V110-E310 WeakPolarHBondContact CG2-OE1 3.35Å; V110-E310 WeakPolarHBondContact CG2-OE2 3.34Å
111	T	91.9	Very high	95.4	Very high	113 Å²	113	37.9 Å²	37.9	69%	0.693	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-15	-175	51.9	0	0	0	0	112.7	Q108 A109 P113	Q108-T111 PolarHBondContact O-N 3.34Å; Q108-T111 VanDerWaalsContact O-N 3.16Å; Q108-T111 PolarHBondContact O-OG1 3.22Å; A109-T111 PolarHBondContact O-N 3.14Å; T111-P113 VanDerWaalsContact C-CD 3.45Å
112	N	94.7	Very high	95.3	Very high	24 Å²	24	37.4 Å²	37.4	13%	0.128	18%	0.183	C	C	.	.			trans	-132.9	51.9	-179.2	-170.7	21.1	0	0	0	113.2	F93 Q108 A109 K114 N115 T116	F93-N112 PolarHBondContact O-ND2 3.18Å; Q108-N112 PolarHBondContact O-N 3.06Å; Q108-N112 VanDerWaalsContact O-N 3.1Å; Q108-N112 PolarHBondContact OE1-ND2 3.15Å; A109-N112 CarbonylContact O-C 3.45Å; A109-N112 PolarHBondContact O-N 3.44Å; N112-K114 VanDerWaalsContact C-N 3.27Å; N112-K114 PolarHBondContact O-N 3.42Å; N112-N115 PolarHBondContact O-N 2.56Å; N112-N115 WeakPolarHBondContact OD1-CB 3.45Å; N112-N115 PolarHBondContact OD1-ND2 3.34Å; N112-T116 WeakPolarHBondContact O-CB 3.42Å; N112-T116 PolarHBondContact O-N 2.88Å; N112-T116 PolarHBondContact O-OG1 3.3Å
113	P	93	Very high	95.2	Very high	14 Å²	14	37.5 Å²	37.5	9%	0.091	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67.6	-26.8	-169.8	26.8	-36.1	0	0	0	113.2	A109 T111 P141 Q306	A109-P113 VanDerWaalsContact O-CA 3.27Å; A109-P113 WeakPolarHBondContact O-CA 3.49Å; A109-P113 WeakPolarHBondContact O-CD 3.32Å; A109-P113 VanDerWaalsContact O-N 3.11Å; T111-P113 VanDerWaalsContact C-CD 3.45Å; P113-P141 HydrophobicContact CB-CB 3.89Å; P113-P141 HydrophobicContact CB-CG 4.07Å; P113-P141 WeakPolarHBondContact O-CG 3.49Å; P113-Q306 HydrophobicContact CB-CB 4.28Å; P113-Q306 HydrophobicContact CB-CG 4.21Å
114	K	94.3	Very high	95.1	Very high	121 Å²	121	34.9 Å²	34.9	53%	0.526	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-76.3	-26	-178.4	-67.3	-177.9	179.2	176.9	0	113.9	N112 F142	N112-K114 VanDerWaalsContact C-N 3.27Å; N112-K114 PolarHBondContact O-N 3.42Å; K114-F142 WeakPolarHBondContact O-CB 3.46Å
115	N	96.6	Very high	94.9	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.123	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-113.1	16	-178.6	-48.7	-65.2	0	0	0	112	A92 F93 N112 A156 H157	A92-N115 WeakPolarHBondContact CA-O 3.24Å; F93-N115 PolarHBondContact N-O 3.04Å; N112-N115 PolarHBondContact O-N 2.56Å; N112-N115 WeakPolarHBondContact OD1-CB 3.45Å; N112-N115 PolarHBondContact OD1-ND2 3.34Å; N115-A156 HydrophobicContact CB-CB 4.14Å; N115-H157 PolarHBondContact ND2-CE1 3.29Å; N115-H157 PolarHBondContact ND2-NE2 3.05Å; N115-H157 PolarHBondContact OD1-N 3.46Å
116	T	97.2	Very high	94.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	110.2	173.6	-54.8	0	0	0	0	108.8	V90 V91 A92 Q108 A109 N112 F142	V90-T116 HydrophobicContact CG1-CG2 3.5Å; V91-T116 CarbonylContact O-C 3.54Å; A92-T116 HydrophobicContact CB-CG2 4.14Å; Q108-T116 PolarHBondContact NE2-OG1 3Å; A109-T116 HydrophobicContact CB-CG2 3.84Å; N112-T116 WeakPolarHBondContact O-CB 3.42Å; N112-T116 PolarHBondContact O-N 2.88Å; N112-T116 PolarHBondContact O-OG1 3.3Å; T116-F142 VanDerWaalsContact O-CD1 3.31Å; T116-F142 WeakPolarHBondContact O-CD1 3.16Å
117	L	97.9	Very high	94.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.1	-175.1	-50.1	176.4	0	0	0	109.1	V90 V91 F93 T120 F142 V154 V166	V90-L117 WeakPolarHBondContact CA-O 3.37Å; V91-L117 PolarHBondContact N-O 3.18Å; V91-L117 PolarHBondContact O-N 3.42Å; F93-L117 HydrophobicContact CD2-CD1 4.47Å; F93-L117 HydrophobicContact CE2-CD1 3.87Å; L117-T120 HydrophobicContact CB-CG2 4.1Å; L117-F142 HydrophobicContact CD2-CB 3.78Å; L117-F142 HydrophobicContact CD2-CD1 4.32Å; L117-F142 HydrophobicContact CD2-CD2 3.93Å; L117-F142 HydrophobicContact CD2-CG 3.76Å; L117-V154 HydrophobicContact CD1-CG2 3.72Å; L117-V154 HydrophobicContact CD2-CB 4.1Å; L117-V154 HydrophobicContact CD2-CG2 4.04Å; L117-V154 HydrophobicContact CG-CG2 4.45Å; L117-V166 HydrophobicContact CB-CG1 4.29Å; L117-V166 HydrophobicContact CD1-CG1 4.39Å; L117-V166 HydrophobicContact CD1-CG2 3.75Å
118	Y	97	Very high	94.4	Very high	19 Å²	19	29.2 Å²	29.2	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	164.8	177.5	59.3	-92.4	0	0	0	109.6	T120 P141 F142 R309	Y118-T120 PolarHBondContact O-N 3.06Å; Y118-P141 HydrophobicContact CE1-CG 4.13Å; Y118-P141 WeakPolarHBondContact OH-CD 3Å; Y118-F142 HydrophobicContact CD1-CD1 4.36Å; Y118-F142 HydrophobicContact CD1-CE1 4.03Å; Y118-F142 HydrophobicContact CE1-CD1 4.2Å; Y118-F142 HydrophobicContact CE1-CE1 4.03Å; Y118-F142 HydrophobicContact CG-CE1 4.31Å; Y118-F142 WeakPolarHBondContact O-CZ 3.49Å; Y118-R309 WeakPolarHBondContact OH-CD 3.3Å; Y118-R309 PolarHBondContact OH-NE 3.23Å
119	A	96.4	Very high	94.4	Very high	9 Å²	9	32.1 Å²	32.1	7%	0.074	17%	0.166	C	C	.	.			trans	53.2	21.6	-177.2	0	0	0	0	0	114.4	T62 K121 R122 E276	T62-A119 HydrophobicContact CG2-CB 3.88Å; A119-K121 PolarHBondContact O-N 2.82Å; A119-K121 VanDerWaalsContact O-N 3.13Å; A119-R122 VanDerWaalsContact O-CB 3.31Å; A119-R122 WeakPolarHBondContact O-CB 3.27Å; A119-R122 PolarHBondContact O-N 3.5Å; A119-E276 HydrophobicContact CB-CG 4.11Å
120	T	96.6	Very high	94.2	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.074	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-65.8	-18.5	-176.9	55.4	0	0	0	0	112.9	L117 Y118 R122 L123 I124 V166	L117-T120 HydrophobicContact CB-CG2 4.1Å; Y118-T120 PolarHBondContact O-N 3.06Å; T120-R122 PolarHBondContact O-N 2.99Å; T120-L123 WeakPolarHBondContact O-CA 3.41Å; T120-L123 WeakPolarHBondContact O-CB 3.46Å; T120-L123 PolarHBondContact O-N 3.5Å; T120-I124 PolarHBondContact O-N 3.44Å; T120-I124 VanDerWaalsContact O-N 3.16Å; T120-V166 HydrophobicContact CG2-CB 4.36Å; T120-V166 HydrophobicContact CG2-CG1 3.88Å
121	K	95.9	Very high	94.2	Very high	15 Å²	15	36.3 Å²	36.3	7%	0.065	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59	-23.1	168.1	-165.5	176.6	-177	-173.7	0	112.7	L60 A119 L123 I124 F197 E222	L60-K121 WeakPolarHBondContact O-CD 3.34Å; L60-K121 WeakPolarHBondContact O-CE 3.41Å; L60-K121 PolarHBondContact O-NZ 3.33Å; A119-K121 PolarHBondContact O-N 2.82Å; A119-K121 VanDerWaalsContact O-N 3.13Å; K121-L123 PolarHBondContact O-N 3.4Å; K121-I124 HydrophobicContact CG-CG2 4.29Å; K121-I124 VanDerWaalsContact O-CG2 3.26Å; K121-I124 WeakPolarHBondContact O-CG2 3.34Å; K121-F197 HydrophobicContact CG-CZ 4.23Å; K121-E222 IonicContact NZ-OE1 3.44Å; K121-E222 PolarHBondContact NZ-OE1 3.28Å
122	R	95.4	Very high	94.1	Very high	8 Å²	8	34.4 Å²	34.4	3%	0.03	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-70.6	-21	171.8	-64.6	176.3	72.7	112.5	4.4	112.7	T62 A119 T120 R126 D136 F272 D277	T62-R122 HydrophobicContact CG2-CG 3.98Å; A119-R122 VanDerWaalsContact O-CB 3.31Å; A119-R122 WeakPolarHBondContact O-CB 3.27Å; A119-R122 PolarHBondContact O-N 3.5Å; T120-R122 PolarHBondContact O-N 2.99Å; R122-R126 WeakPolarHBondContact O-CD 3.24Å; R122-R126 PolarHBondContact O-NE 3.2Å; R122-D136 IonicContact NE-OD1 3.54Å; R122-D136 IonicContact NE-OD2 2.58Å; R122-D136 PolarHBondContact NE-OD2 2.95Å; R122-F272 HydrophobicContact CB-CD2 4.48Å; R122-F272 HydrophobicContact CB-CE2 4.08Å; R122-F272 VanDerWaalsContact NE-CE2 3.34Å; R122-D277 IonicContact CZ-OD2 3.87Å; R122-D277 IonicContact NH1-OD2 3.49Å; R122-D277 PolarHBondContact NH1-OD2 2.94Å; R122-D277 IonicContact NH2-OD1 2.66Å; R122-D277 PolarHBondContact NH2-OD1 3.16Å; R122-D277 IonicContact NH2-OD2 2.9Å; R122-D277 PolarHBondContact NH2-OD2 3Å; R122-D277 VanDerWaalsContact NH2-OD2 3.09Å
123	L	96	Very high	94.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-20.2	-178.5	-52.9	178.1	0	0	0	113.1	T120 K121 G125 R126 V133 F142 I144 V154 P163	T120-L123 WeakPolarHBondContact O-CA 3.41Å; T120-L123 WeakPolarHBondContact O-CB 3.46Å; T120-L123 PolarHBondContact O-N 3.5Å; K121-L123 PolarHBondContact O-N 3.4Å; L123-G125 PolarHBondContact O-N 3.05Å; L123-R126 WeakPolarHBondContact O-CB 3.46Å; L123-R126 PolarHBondContact O-N 2.95Å; L123-R126 VanDerWaalsContact O-N 3.08Å; L123-V133 HydrophobicContact CD2-CG1 4.34Å; L123-V133 HydrophobicContact CD2-CG2 4.16Å; L123-F142 HydrophobicContact CD1-CE2 4.4Å; L123-I144 HydrophobicContact CD1-CD1 3.86Å; L123-I144 HydrophobicContact CD1-CG1 3.89Å; L123-I144 HydrophobicContact CD2-CD1 3.88Å; L123-V154 HydrophobicContact CD1-CG1 3.65Å; L123-P163 HydrophobicContact CB-CB 4.31Å; L123-P163 HydrophobicContact CB-CG 3.84Å
124	I	93.7	Very high	94.3	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	129	-175.8	-156.3	167	0	0	0	111	T120 K121 R126 P163 F197 Q201 A204	T120-I124 PolarHBondContact O-N 3.44Å; T120-I124 VanDerWaalsContact O-N 3.16Å; K121-I124 HydrophobicContact CG-CG2 4.29Å; K121-I124 VanDerWaalsContact O-CG2 3.26Å; K121-I124 WeakPolarHBondContact O-CG2 3.34Å; I124-R126 VanDerWaalsContact C-N 3.26Å; I124-R126 PolarHBondContact O-N 2.78Å; I124-P163 HydrophobicContact CB-CB 4.02Å; I124-P163 HydrophobicContact CG1-CB 4.19Å; I124-F197 HydrophobicContact CG2-CE2 3.91Å; I124-F197 HydrophobicContact CG2-CZ 4.03Å; I124-Q201 WeakPolarHBondContact O-CG 3.46Å; I124-A204 HydrophobicContact CD1-CB 4.29Å; I124-A204 HydrophobicContact CG1-CB 3.63Å
125	G	89.1	Confident	94.2	Very high	20 Å²	20	33.4 Å²	33.4	21%	0.206	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	14.4	-178	0	0	0	0	0	116.2	L123	L123-G125 PolarHBondContact O-N 3.05Å
126	R	91.6	Very high	94	Very high	21 Å²	21	33 Å²	33	8%	0.079	17%	0.172	C	C	.	.			trans	-103.3	151.9	178.3	-63.2	-167	-173.2	-93.3	-0.9	113.2	R122 L123 I124 D130 V133 A152 T271	R122-R126 WeakPolarHBondContact O-CD 3.24Å; R122-R126 PolarHBondContact O-NE 3.2Å; L123-R126 WeakPolarHBondContact O-CB 3.46Å; L123-R126 PolarHBondContact O-N 2.95Å; L123-R126 VanDerWaalsContact O-N 3.08Å; I124-R126 VanDerWaalsContact C-N 3.26Å; I124-R126 PolarHBondContact O-N 2.78Å; R126-D130 WeakPolarHBondContact CB-OD2 3.44Å; R126-V133 HydrophobicContact CB-CG2 3.75Å; R126-V133 HydrophobicContact CG-CG2 4.48Å; R126-A152 PolarHBondContact O-N 2.99Å; R126-A152 VanDerWaalsContact O-N 3.07Å; R126-T271 PolarHBondContact NH2-O 3.34Å; R126-T271 PolarHBondContact NH2-OG1 2.87Å
127	R	90.8	Very high	93.9	Very high	100 Å²	100	35.7 Å²	35.7	38%	0.377	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-82.2	151.3	172.4	-62.6	-59.3	-164.5	162.6	7.3	110.1	D129 D130 V133 N149 D151	R127-D129 PolarHBondContact O-N 3.46Å; R127-D130 PolarHBondContact N-OD2 3.03Å; R127-D130 WeakPolarHBondContact O-CB 3.14Å; R127-D130 PolarHBondContact O-N 3.31Å; R127-D130 VanDerWaalsContact O-N 3.17Å; R127-V133 WeakPolarHBondContact O-CG2 3.45Å; R127-N149 PolarHBondContact NH1-O 3.5Å; R127-D151 WeakPolarHBondContact CD-OD1 3.41Å; R127-D151 IonicContact CZ-OD1 3.74Å; R127-D151 IonicContact NE-OD1 3.9Å; R127-D151 IonicContact NH1-OD1 2.69Å; R127-D151 PolarHBondContact NH1-OD1 3.1Å
128	F	95.3	Very high	93.6	Very high	37 Å²	37	43.3 Å²	43.3	16%	0.162	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.2	177.4	-178.4	-92.7	0	0	0	112.3	D130 Q134 I137 I144 V145 R146 G150	F128-D130 VanDerWaalsContact C-N 3.33Å; F128-D130 PolarHBondContact O-N 3.34Å; F128-Q134 PolarHBondContact O-NE2 3.4Å; F128-I137 HydrophobicContact CD2-CD1 4.45Å; F128-I137 HydrophobicContact CE1-CD1 4.45Å; F128-I137 HydrophobicContact CE2-CD1 3.74Å; F128-I137 HydrophobicContact CZ-CD1 3.75Å; F128-I144 HydrophobicContact CD2-CG2 4.33Å; F128-I144 HydrophobicContact CE2-CG2 4.34Å; F128-V145 VanDerWaalsContact CD2-C 3.4Å; F128-V145 WeakPolarHBondContact CD2-O 3.08Å; F128-R146 HydrophobicContact CB-CB 4.04Å; F128-R146 HydrophobicContact CB-CG 3.99Å; F128-R146 HydrophobicContact CD1-CB 4.01Å; F128-R146 HydrophobicContact CD1-CG 4.39Å; F128-R146 HydrophobicContact CD2-CB 3.87Å; F128-R146 HydrophobicContact CE1-CB 4.43Å; F128-R146 HydrophobicContact CE2-CB 4.31Å; F128-R146 HydrophobicContact CG-CB 3.68Å; F128-R146 HydrophobicContact CG-CG 4.12Å; F128-G150 PolarHBondContact N-O 3.28Å
129	D	93.1	Very high	93.2	Very high	97 Å²	97	43.6 Å²	43.6	52%	0.519	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.1	-177.4	-65.5	-46.2	0	0	0	115	R127 A131 R146	R127-D129 PolarHBondContact O-N 3.46Å; D129-A131 PolarHBondContact O-N 3.08Å; D129-R146 VanDerWaalsContact CG-NH2 3.25Å; D129-R146 IonicContact OD1-CZ 3.6Å; D129-R146 IonicContact OD1-NH1 3.94Å; D129-R146 IonicContact OD1-NH2 2.74Å; D129-R146 PolarHBondContact OD1-NH2 2.98Å; D129-R146 IonicContact OD2-CZ 3.44Å; D129-R146 IonicContact OD2-NH1 2.69Å; D129-R146 PolarHBondContact OD2-NH1 3.32Å; D129-R146 IonicContact OD2-NH2 3.09Å; D129-R146 PolarHBondContact OD2-NH2 3.31Å; D129-R146 VanDerWaalsContact OD2-NH2 3.14Å
130	D	89.8	Confident	93	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.251	23%	0.226	S	C	.	.			trans	-60.2	138.8	179.4	-69.3	-16.3	0	0	0	110	R126 R127 F128 E132 V133 Q134	R126-D130 WeakPolarHBondContact CB-OD2 3.44Å; R127-D130 PolarHBondContact N-OD2 3.03Å; R127-D130 WeakPolarHBondContact O-CB 3.14Å; R127-D130 PolarHBondContact O-N 3.31Å; R127-D130 VanDerWaalsContact O-N 3.17Å; F128-D130 VanDerWaalsContact C-N 3.33Å; F128-D130 PolarHBondContact O-N 3.34Å; D130-E132 PolarHBondContact O-N 3.35Å; D130-V133 HydrophobicContact CB-CB 4.42Å; D130-V133 HydrophobicContact CB-CG2 4.11Å; D130-V133 WeakPolarHBondContact O-CB 3.31Å; D130-V133 PolarHBondContact O-N 3.15Å; D130-Q134 WeakPolarHBondContact O-CG 3.38Å; D130-Q134 PolarHBondContact O-N 3.19Å
131	A	91.5	Very high	92.8	Very high	75 Å²	75	45.3 Å²	45.3	62%	0.62	23%	0.232	S	C	*	.	H	α-helix	trans	-59.2	-35.5	-174.4	0	0	0	0	0	112.3	D129 Q134 K135	D129-A131 PolarHBondContact O-N 3.08Å; A131-Q134 PolarHBondContact O-N 3.03Å; A131-K135 PolarHBondContact O-N 3.49Å
132	E	90.9	Very high	92.7	Very high	72 Å²	72	45 Å²	45	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-46.1	173.5	-66.5	79	-171	0	0	111.5	D130 K135 D136 F272	D130-E132 PolarHBondContact O-N 3.35Å; E132-K135 WeakPolarHBondContact O-CB 3.43Å; E132-K135 PolarHBondContact O-N 3.13Å; E132-D136 PolarHBondContact O-N 2.87Å; E132-F272 HydrophobicContact CB-CD1 4Å; E132-F272 HydrophobicContact CB-CD2 3.71Å; E132-F272 HydrophobicContact CB-CE1 3.94Å; E132-F272 HydrophobicContact CB-CE2 3.65Å; E132-F272 HydrophobicContact CB-CG 3.86Å; E132-F272 HydrophobicContact CB-CZ 3.74Å; E132-F272 HydrophobicContact CG-CB 3.92Å; E132-F272 HydrophobicContact CG-CD1 3.82Å; E132-F272 HydrophobicContact CG-CD2 3.93Å; E132-F272 HydrophobicContact CG-CE1 4.25Å; E132-F272 HydrophobicContact CG-CE2 4.35Å; E132-F272 HydrophobicContact CG-CG 3.61Å; E132-F272 HydrophobicContact CG-CZ 4.47Å; E132-F272 WeakPolarHBondContact O-CZ 3.39Å
133	V	95	Very high	92.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-41.2	178.4	176.8	0	0	0	0	110.7	L123 R126 R127 D130 K135 D136 I137 I144 A152	L123-V133 HydrophobicContact CD2-CG1 4.34Å; L123-V133 HydrophobicContact CD2-CG2 4.16Å; R126-V133 HydrophobicContact CB-CG2 3.75Å; R126-V133 HydrophobicContact CG-CG2 4.48Å; R127-V133 WeakPolarHBondContact O-CG2 3.45Å; D130-V133 HydrophobicContact CB-CB 4.42Å; D130-V133 HydrophobicContact CB-CG2 4.11Å; D130-V133 WeakPolarHBondContact O-CB 3.31Å; D130-V133 PolarHBondContact O-N 3.15Å; V133-K135 PolarHBondContact O-N 3.19Å; V133-D136 PolarHBondContact O-N 3.47Å; V133-D136 VanDerWaalsContact O-N 3.09Å; V133-I137 HydrophobicContact CG1-CD1 4.21Å; V133-I137 WeakPolarHBondContact O-CG1 3.38Å; V133-I137 PolarHBondContact O-N 2.84Å; V133-I144 HydrophobicContact CG1-CG2 3.95Å; V133-A152 HydrophobicContact CG1-CB 3.8Å; V133-A152 HydrophobicContact CG2-CB 4.08Å
134	Q	95.7	Very high	92.9	Very high	64 Å²	64	50.9 Å²	50.9	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-29.2	174.9	-66.4	-59.4	-49.5	0	0	113	F128 D130 A131	F128-Q134 PolarHBondContact O-NE2 3.4Å; D130-Q134 WeakPolarHBondContact O-CG 3.38Å; D130-Q134 PolarHBondContact O-N 3.19Å; A131-Q134 PolarHBondContact O-N 3.03Å
135	K	93	Very high	93.1	Very high	75 Å²	75	51.9 Å²	51.9	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-70.7	-46.9	170.6	176.1	176	155.2	-155.6	0	110.7	A131 E132 V133 I137 K138 N139 F272 D277	A131-K135 PolarHBondContact O-N 3.49Å; E132-K135 WeakPolarHBondContact O-CB 3.43Å; E132-K135 PolarHBondContact O-N 3.13Å; V133-K135 PolarHBondContact O-N 3.19Å; K135-I137 PolarHBondContact O-N 3.08Å; K135-K138 PolarHBondContact O-N 3.38Å; K135-N139 PolarHBondContact O-ND2 3.09Å; K135-F272 HydrophobicContact CB-CE1 4.47Å; K135-F272 HydrophobicContact CD-CE1 3.94Å; K135-F272 HydrophobicContact CG-CE1 4.41Å; K135-D277 IonicContact NZ-OD1 3.26Å; K135-D277 PolarHBondContact NZ-OD1 3.21Å
136	D	93.1	Very high	93.4	Very high	15 Å²	15	56.5 Å²	56.5	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-35.4	-178.2	-82.1	-5.1	0	0	0	113.3	R122 E132 V133 K138 N139 V140 I144 F272	R122-D136 IonicContact NE-OD1 3.54Å; R122-D136 IonicContact NE-OD2 2.58Å; R122-D136 PolarHBondContact NE-OD2 2.95Å; E132-D136 PolarHBondContact O-N 2.87Å; V133-D136 PolarHBondContact O-N 3.47Å; V133-D136 VanDerWaalsContact O-N 3.09Å; D136-K138 PolarHBondContact O-N 3.2Å; D136-N139 PolarHBondContact O-N 3.12Å; D136-V140 WeakPolarHBondContact O-CG2 3.41Å; D136-V140 PolarHBondContact O-N 3.02Å; D136-I144 HydrophobicContact CB-CD1 4.09Å; D136-F272 HydrophobicContact CB-CZ 4.42Å; D136-F272 VanDerWaalsContact OD1-CZ 3.23Å; D136-F272 WeakPolarHBondContact OD1-CZ 3.27Å; D136-F272 VanDerWaalsContact OD2-CE2 3.24Å; D136-F272 WeakPolarHBondContact OD2-CE2 3.31Å; D136-F272 WeakPolarHBondContact OD2-CZ 3.37Å
137	I	94.9	Very high	93.6	Very high	56 Å²	56	55.7 Å²	55.7	29%	0.287	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-34	173.4	-76.5	165.8	0	0	0	112.3	F128 V133 K135 I144	F128-I137 HydrophobicContact CD2-CD1 4.45Å; F128-I137 HydrophobicContact CE1-CD1 4.45Å; F128-I137 HydrophobicContact CE2-CD1 3.74Å; F128-I137 HydrophobicContact CZ-CD1 3.75Å; V133-I137 HydrophobicContact CG1-CD1 4.21Å; V133-I137 WeakPolarHBondContact O-CG1 3.38Å; V133-I137 PolarHBondContact O-N 2.84Å; K135-I137 PolarHBondContact O-N 3.08Å; I137-I144 HydrophobicContact CD1-CG2 4.42Å; I137-I144 HydrophobicContact CG1-CB 3.8Å; I137-I144 HydrophobicContact CG1-CD1 4.05Å; I137-I144 HydrophobicContact CG1-CG1 4.47Å; I137-I144 HydrophobicContact CG1-CG2 4.07Å
138	K	90.4	Very high	93.5	Very high	161 Å²	161	57.4 Å²	57.4	70%	0.7	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-12.8	-178.2	-59.6	174	-173.1	174	0	113.3	K135 D136	K135-K138 PolarHBondContact O-N 3.38Å; D136-K138 PolarHBondContact O-N 3.2Å
139	N	88.6	Confident	92.9	Very high	24 Å²	24	58.7 Å²	58.7	13%	0.128	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-10.1	-170.3	-62.7	-45.4	0	0	0	113.5	K135 D136 Q280 R309	K135-N139 PolarHBondContact O-ND2 3.09Å; D136-N139 PolarHBondContact O-N 3.12Å; N139-Q280 PolarHBondContact OD1-NE2 3.2Å; N139-R309 PolarHBondContact O-NH2 3.26Å
140	V	92.6	Very high	92.8	Very high	27 Å²	27	54.8 Å²	54.8	16%	0.164	29%	0.291	C	S	.	.			trans	-110.9	149.6	179.1	-58.8	0	0	0	0	111.9	D136 F142 I144	D136-V140 WeakPolarHBondContact O-CG2 3.41Å; D136-V140 PolarHBondContact O-N 3.02Å; V140-F142 HydrophobicContact CB-CD1 4.11Å; V140-F142 HydrophobicContact CB-CE1 3.74Å; V140-F142 HydrophobicContact CB-CE2 4.26Å; V140-F142 HydrophobicContact CB-CZ 3.83Å; V140-F142 HydrophobicContact CG1-CE1 4.04Å; V140-F142 HydrophobicContact CG1-CZ 3.92Å; V140-F142 HydrophobicContact CG2-CD1 4.39Å; V140-F142 HydrophobicContact CG2-CD2 4.02Å; V140-F142 HydrophobicContact CG2-CE1 4.15Å; V140-F142 HydrophobicContact CG2-CE2 3.75Å; V140-F142 HydrophobicContact CG2-CG 4.33Å; V140-F142 HydrophobicContact CG2-CZ 3.83Å; V140-F142 WeakPolarHBondContact CG2-O 3.42Å; V140-I144 HydrophobicContact CG2-CD1 3.79Å; V140-I144 HydrophobicContact CG2-CG1 4.15Å
141	P	91.8	Very high	92.9	Very high	31 Å²	31	53.2 Å²	53.2	20%	0.201	28%	0.283	C	S	.	.	S	Bend	trans	-82.9	-25.1	-179.4	31	-34.6	0	0	0	114.1	P113 Y118	P113-P141 HydrophobicContact CB-CB 3.89Å; P113-P141 HydrophobicContact CB-CG 4.07Å; P113-P141 WeakPolarHBondContact O-CG 3.49Å; Y118-P141 HydrophobicContact CE1-CG 4.13Å; Y118-P141 WeakPolarHBondContact OH-CD 3Å
142	F	95.3	Very high	93.1	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.035	25%	0.253	C	S	.	.	S	Bend	trans	-78.3	159	173.6	58.9	-97.2	0	0	0	110.6	K114 T116 L117 Y118 L123 V140 I144 V154	K114-F142 WeakPolarHBondContact O-CB 3.46Å; T116-F142 VanDerWaalsContact O-CD1 3.31Å; T116-F142 WeakPolarHBondContact O-CD1 3.16Å; L117-F142 HydrophobicContact CD2-CB 3.78Å; L117-F142 HydrophobicContact CD2-CD1 4.32Å; L117-F142 HydrophobicContact CD2-CD2 3.93Å; L117-F142 HydrophobicContact CD2-CG 3.76Å; Y118-F142 HydrophobicContact CD1-CD1 4.36Å; Y118-F142 HydrophobicContact CD1-CE1 4.03Å; Y118-F142 HydrophobicContact CE1-CD1 4.2Å; Y118-F142 HydrophobicContact CE1-CE1 4.03Å; Y118-F142 HydrophobicContact CG-CE1 4.31Å; Y118-F142 WeakPolarHBondContact O-CZ 3.49Å; L123-F142 HydrophobicContact CD1-CE2 4.4Å; V140-F142 HydrophobicContact CB-CD1 4.11Å; V140-F142 HydrophobicContact CB-CE1 3.74Å; V140-F142 HydrophobicContact CB-CE2 4.26Å; V140-F142 HydrophobicContact CB-CZ 3.83Å; V140-F142 HydrophobicContact CG1-CE1 4.04Å; V140-F142 HydrophobicContact CG1-CZ 3.92Å; V140-F142 HydrophobicContact CG2-CD1 4.39Å; V140-F142 HydrophobicContact CG2-CD2 4.02Å; V140-F142 HydrophobicContact CG2-CE1 4.15Å; V140-F142 HydrophobicContact CG2-CE2 3.75Å; V140-F142 HydrophobicContact CG2-CG 4.33Å; V140-F142 HydrophobicContact CG2-CZ 3.83Å; V140-F142 WeakPolarHBondContact CG2-O 3.42Å; F142-I144 HydrophobicContact CD2-CG1 4.25Å; F142-I144 HydrophobicContact CE2-CD1 4.35Å; F142-I144 HydrophobicContact CE2-CG1 3.86Å; F142-V154 HydrophobicContact CD2-CB 4.37Å; F142-V154 HydrophobicContact CD2-CG1 3.99Å; F142-V154 HydrophobicContact CE2-CG1 3.74Å
143	K	96.8	Very high	93.4	Very high	118 Å²	118	48 Å²	48	51%	0.513	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.4	-180	-66.9	180	-170.7	169.1	0	110.5	V145 V154 E155	K143-V145 HydrophobicContact CB-CG1 4.22Å; K143-V154 CarbonylContact O-C 3.58Å; K143-V154 VanDerWaalsContact O-CA 3.29Å; K143-V154 WeakPolarHBondContact O-CA 3.42Å; K143-E155 HydrophobicContact CB-CB 4.14Å; K143-E155 WeakPolarHBondContact CD-OE1 3.46Å; K143-E155 IonicContact NZ-OE1 3.18Å; K143-E155 PolarHBondContact NZ-OE1 3.47Å; K143-E155 IonicContact NZ-OE2 2.86Å; K143-E155 PolarHBondContact O-N 2.9Å
144	I	98.1	Very high	93.5	Very high	16 Å²	16	48 Å²	48	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129	162.6	-59.4	167.7	0	0	0	106.9	L123 F128 V133 D136 I137 V140 F142 A152 W153 V154	L123-I144 HydrophobicContact CD1-CD1 3.86Å; L123-I144 HydrophobicContact CD1-CG1 3.89Å; L123-I144 HydrophobicContact CD2-CD1 3.88Å; F128-I144 HydrophobicContact CD2-CG2 4.33Å; F128-I144 HydrophobicContact CE2-CG2 4.34Å; V133-I144 HydrophobicContact CG1-CG2 3.95Å; D136-I144 HydrophobicContact CB-CD1 4.09Å; I137-I144 HydrophobicContact CD1-CG2 4.42Å; I137-I144 HydrophobicContact CG1-CB 3.8Å; I137-I144 HydrophobicContact CG1-CD1 4.05Å; I137-I144 HydrophobicContact CG1-CG1 4.47Å; I137-I144 HydrophobicContact CG1-CG2 4.07Å; V140-I144 HydrophobicContact CG2-CD1 3.79Å; V140-I144 HydrophobicContact CG2-CG1 4.15Å; F142-I144 HydrophobicContact CD2-CG1 4.25Å; F142-I144 HydrophobicContact CE2-CD1 4.35Å; F142-I144 HydrophobicContact CE2-CG1 3.86Å; I144-A152 HydrophobicContact CG2-CB 4.3Å; I144-W153 CarbonylContact C-O 3.58Å; I144-W153 VanDerWaalsContact CA-O 3.29Å; I144-W153 WeakPolarHBondContact CA-O 3.41Å; I144-W153 WeakPolarHBondContact CG2-O 3.4Å; I144-V154 HydrophobicContact CG1-CG1 4.31Å
145	V	97.3	Very high	93.6	Very high	26 Å²	26	47 Å²	47	16%	0.158	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.5	-172.1	-62.2	0	0	0	0	110.9	F128 K143 W153 E155 M160	F128-V145 VanDerWaalsContact CD2-C 3.4Å; F128-V145 WeakPolarHBondContact CD2-O 3.08Å; K143-V145 HydrophobicContact CB-CG1 4.22Å; V145-W153 HydrophobicContact CG2-CB 4.03Å; V145-W153 PolarHBondContact N-O 3.38Å; V145-W153 PolarHBondContact O-N 2.88Å; V145-E155 HydrophobicContact CG1-CB 4.06Å; V145-E155 HydrophobicContact CG2-CB 4.43Å; V145-M160 HydrophobicContact CG2-CG 4.13Å; V145-M160 HydrophobicContact CG2-SD 4.01Å
146	R	96.9	Very high	93.6	Very high	116 Å²	116	43.5 Å²	43.5	44%	0.438	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121	176.1	-175.3	-168.1	-65.1	-83.6	3.6	109.6	F128 D129	F128-R146 HydrophobicContact CB-CB 4.04Å; F128-R146 HydrophobicContact CB-CG 3.99Å; F128-R146 HydrophobicContact CD1-CB 4.01Å; F128-R146 HydrophobicContact CD1-CG 4.39Å; F128-R146 HydrophobicContact CD2-CB 3.87Å; F128-R146 HydrophobicContact CE1-CB 4.43Å; F128-R146 HydrophobicContact CE2-CB 4.31Å; F128-R146 HydrophobicContact CG-CB 3.68Å; F128-R146 HydrophobicContact CG-CG 4.12Å; D129-R146 VanDerWaalsContact CG-NH2 3.25Å; D129-R146 IonicContact OD1-CZ 3.6Å; D129-R146 IonicContact OD1-NH1 3.94Å; D129-R146 IonicContact OD1-NH2 2.74Å; D129-R146 PolarHBondContact OD1-NH2 2.98Å; D129-R146 IonicContact OD2-CZ 3.44Å; D129-R146 IonicContact OD2-NH1 2.69Å; D129-R146 PolarHBondContact OD2-NH1 3.32Å; D129-R146 IonicContact OD2-NH2 3.09Å; D129-R146 PolarHBondContact OD2-NH2 3.31Å; D129-R146 VanDerWaalsContact OD2-NH2 3.14Å
147	A	94.3	Very high	93.6	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	24%	0.241	C	C	.	.			trans	-72.6	163.8	170.5	0	0	0	0	0	112.1	N149 G150 D151 W153	A147-N149 VanDerWaalsContact CB-OD1 3.3Å; A147-N149 WeakPolarHBondContact CB-OD1 3.27Å; A147-N149 PolarHBondContact O-N 2.79Å; A147-N149 VanDerWaalsContact O-N 3.14Å; A147-G150 PolarHBondContact O-N 2.92Å; A147-D151 HydrophobicContact CB-CB 4.38Å; A147-D151 PolarHBondContact N-O 3.03Å; A147-W153 HydrophobicContact CB-CB 4.4Å; A147-W153 HydrophobicContact CB-CD2 3.72Å; A147-W153 HydrophobicContact CB-CE3 4.46Å; A147-W153 HydrophobicContact CB-CG 3.68Å; A147-W153 HydrophobicContact CB-CZ2 4.26Å
148	S	89.4	Confident	93.4	Very high	135 Å²	135	47.3 Å²	47.3	94%	0.944	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.5	179.8	52.5	0	0	0	0	113.3	G150	S148-G150 VanDerWaalsContact C-N 3.35Å
149	N	83.2	Confident	93.6	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.6	178.1	71.2	-7.6	0	0	0	113.9	R127 A147 D151 G552	R127-N149 PolarHBondContact NH1-O 3.5Å; A147-N149 VanDerWaalsContact CB-OD1 3.3Å; A147-N149 WeakPolarHBondContact CB-OD1 3.27Å; A147-N149 PolarHBondContact O-N 2.79Å; A147-N149 VanDerWaalsContact O-N 3.14Å; N149-D151 VanDerWaalsContact ND2-CG 3.35Å; N149-D151 PolarHBondContact ND2-OD2 3.45Å; N149-D151 VanDerWaalsContact OD1-CB 3.31Å; N149-D151 WeakPolarHBondContact OD1-CB 3.48Å; N149-D151 PolarHBondContact OD1-N 3.43Å; N149-G552 PolarHBondContact ND2-O 2.91Å
150	G	89.7	Confident	93.9	Very high	16 Å²	16	49.3 Å²	49.3	17%	0.165	27%	0.266	C	S	.	.	S	Bend	trans	94.8	-0.9	-177.5	0	0	0	0	0	116.1	F128 A147 S148	F128-G150 PolarHBondContact N-O 3.28Å; A147-G150 PolarHBondContact O-N 2.92Å; S148-G150 VanDerWaalsContact C-N 3.35Å
151	D	91.9	Very high	94.1	Very high	14 Å²	14	48.7 Å²	48.7	8%	0.075	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-75.9	158.3	-178.7	-67	-13	0	0	0	113.6	R127 A147 N149 W153 G552	R127-D151 WeakPolarHBondContact CD-OD1 3.41Å; R127-D151 IonicContact CZ-OD1 3.74Å; R127-D151 IonicContact NE-OD1 3.9Å; R127-D151 IonicContact NH1-OD1 2.69Å; R127-D151 PolarHBondContact NH1-OD1 3.1Å; A147-D151 HydrophobicContact CB-CB 4.38Å; A147-D151 PolarHBondContact N-O 3.03Å; N149-D151 VanDerWaalsContact ND2-CG 3.35Å; N149-D151 PolarHBondContact ND2-OD2 3.45Å; N149-D151 VanDerWaalsContact OD1-CB 3.31Å; N149-D151 WeakPolarHBondContact OD1-CB 3.48Å; N149-D151 PolarHBondContact OD1-N 3.43Å; D151-W153 PolarHBondContact O-N 2.73Å; D151-G552 WeakPolarHBondContact OD2-CA 3.36Å
152	A	95.9	Very high	94.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	107.3	172.9	0	0	0	0	0	110.2	R126 V133 I144 P163	R126-A152 PolarHBondContact O-N 2.99Å; R126-A152 VanDerWaalsContact O-N 3.07Å; V133-A152 HydrophobicContact CG1-CB 3.8Å; V133-A152 HydrophobicContact CG2-CB 4.08Å; I144-A152 HydrophobicContact CG2-CB 4.3Å; A152-P163 VanDerWaalsContact O-CD 3.28Å; A152-P163 WeakPolarHBondContact O-CD 3.2Å; A152-P163 WeakPolarHBondContact O-CG 3.34Å
153	W	97.6	Very high	94.4	Very high	35 Å²	35	47.2 Å²	47.2	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	173.1	173.7	-77.3	31	0	0	0	110.5	I144 V145 A147 D151 M160 Y161 L553 M561	I144-W153 CarbonylContact C-O 3.58Å; I144-W153 VanDerWaalsContact CA-O 3.29Å; I144-W153 WeakPolarHBondContact CA-O 3.41Å; I144-W153 WeakPolarHBondContact CG2-O 3.4Å; V145-W153 HydrophobicContact CG2-CB 4.03Å; V145-W153 PolarHBondContact N-O 3.38Å; V145-W153 PolarHBondContact O-N 2.88Å; A147-W153 HydrophobicContact CB-CB 4.4Å; A147-W153 HydrophobicContact CB-CD2 3.72Å; A147-W153 HydrophobicContact CB-CE3 4.46Å; A147-W153 HydrophobicContact CB-CG 3.68Å; A147-W153 HydrophobicContact CB-CZ2 4.26Å; D151-W153 PolarHBondContact O-N 2.73Å; W153-M160 HydrophobicContact CE3-CB 3.89Å; W153-M160 HydrophobicContact CZ3-CB 4.4Å; W153-Y161 WeakPolarHBondContact CB-O 3.15Å; W153-L553 HydrophobicContact CH2-CD2 4.4Å; W153-L553 HydrophobicContact CZ2-CD2 3.74Å; W153-M561 HydrophobicContact CH2-CE 4.06Å
154	V	97.8	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.2	176.6	-62.7	0	0	0	0	110.9	L117 L123 F142 K143 I144 M160 Y161 V166	L117-V154 HydrophobicContact CD1-CG2 3.72Å; L117-V154 HydrophobicContact CD2-CB 4.1Å; L117-V154 HydrophobicContact CD2-CG2 4.04Å; L117-V154 HydrophobicContact CG-CG2 4.45Å; L123-V154 HydrophobicContact CD1-CG1 3.65Å; F142-V154 HydrophobicContact CD2-CB 4.37Å; F142-V154 HydrophobicContact CD2-CG1 3.99Å; F142-V154 HydrophobicContact CE2-CG1 3.74Å; K143-V154 CarbonylContact O-C 3.58Å; K143-V154 VanDerWaalsContact O-CA 3.29Å; K143-V154 WeakPolarHBondContact O-CA 3.42Å; I144-V154 HydrophobicContact CG1-CG1 4.31Å; V154-M160 CarbonylContact O-C 3.6Å; V154-M160 WeakPolarHBondContact O-CA 3.42Å; V154-Y161 WeakPolarHBondContact CG2-O 3.31Å; V154-Y161 PolarHBondContact N-O 2.88Å; V154-Y161 PolarHBondContact O-N 3.2Å; V154-V166 HydrophobicContact CG2-CG2 3.87Å
155	E	96.3	Very high	94.2	Very high	44 Å²	44	41.7 Å²	41.7	21%	0.206	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133	178.9	-177.7	-164.7	116.9	0	0	110.8	K143 V145 K159	K143-E155 HydrophobicContact CB-CB 4.14Å; K143-E155 WeakPolarHBondContact CD-OE1 3.46Å; K143-E155 IonicContact NZ-OE1 3.18Å; K143-E155 PolarHBondContact NZ-OE1 3.47Å; K143-E155 IonicContact NZ-OE2 2.86Å; K143-E155 PolarHBondContact O-N 2.9Å; V145-E155 HydrophobicContact CG1-CB 4.06Å; V145-E155 HydrophobicContact CG2-CB 4.43Å; E155-K159 CarbonylContact C-O 3.59Å; E155-K159 VanDerWaalsContact CA-O 3.28Å; E155-K159 WeakPolarHBondContact CA-O 3.44Å
156	A	94.9	Very high	94.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.2	169.5	0	0	0	0	0	109.2	F93 N115 G158 K159 Y161	F93-A156 HydrophobicContact CB-CB 4.46Å; F93-A156 HydrophobicContact CD2-CB 3.52Å; F93-A156 HydrophobicContact CE2-CB 4.13Å; F93-A156 HydrophobicContact CG-CB 4.3Å; N115-A156 HydrophobicContact CB-CB 4.14Å; A156-G158 PolarHBondContact O-N 3.46Å; A156-G158 VanDerWaalsContact O-N 3.16Å; A156-K159 PolarHBondContact N-O 3.48Å; A156-K159 PolarHBondContact O-N 2.92Å; A156-Y161 HydrophobicContact CB-CD2 4.46Å; A156-Y161 HydrophobicContact CB-CE2 4.11Å
157	H	92.4	Very high	94.3	Very high	93 Å²	93	35.3 Å²	35.3	43%	0.431	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	40.8	-175	-65.4	-66.3	0	0	0	114.2	F93 T94 N115 K159	F93-H157 PolarHBondContact O-NE2 3.39Å; T94-H157 PolarHBondContact O-NE2 2.97Å; T94-H157 VanDerWaalsContact O-NE2 3.1Å; N115-H157 PolarHBondContact ND2-CE1 3.29Å; N115-H157 PolarHBondContact ND2-NE2 3.05Å; N115-H157 PolarHBondContact OD1-N 3.46Å; H157-K159 PolarHBondContact O-N 3.27Å
158	G	91.3	Very high	94.5	Very high	59 Å²	59	35 Å²	35	61%	0.608	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	1.8	-179.9	0	0	0	0	0	115.2	A156	A156-G158 PolarHBondContact O-N 3.46Å; A156-G158 VanDerWaalsContact O-N 3.16Å
159	K	93.1	Very high	94.9	Very high	123 Å²	123	28.8 Å²	28.8	54%	0.535	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136	172.5	-67.3	179.6	-178.5	173.6	0	109.9	E155 A156 H157 Y161	E155-K159 CarbonylContact C-O 3.59Å; E155-K159 VanDerWaalsContact CA-O 3.28Å; E155-K159 WeakPolarHBondContact CA-O 3.44Å; A156-K159 PolarHBondContact N-O 3.48Å; A156-K159 PolarHBondContact O-N 2.92Å; H157-K159 PolarHBondContact O-N 3.27Å; K159-Y161 HydrophobicContact CB-CE2 3.69Å; K159-Y161 WeakPolarHBondContact O-CD2 3.3Å; K159-Y161 WeakPolarHBondContact O-CE2 3.36Å
160	M	95.2	Very high	95.6	Very high	103 Å²	103	25.9 Å²	25.9	51%	0.507	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.4	176.8	-56.8	-173.2	-70.4	0	0	110.6	V145 W153 V154	V145-M160 HydrophobicContact CG2-CG 4.13Å; V145-M160 HydrophobicContact CG2-SD 4.01Å; W153-M160 HydrophobicContact CE3-CB 3.89Å; W153-M160 HydrophobicContact CZ3-CB 4.4Å; V154-M160 CarbonylContact O-C 3.6Å; V154-M160 WeakPolarHBondContact O-CA 3.42Å
161	Y	96.3	Very high	96	Very high	14 Å²	14	25.1 Å²	25.1	6%	0.055	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.5	178.1	-60.5	-89.5	0	0	0	109	F93 W153 V154 A156 K159 Q165 F169	F93-Y161 HydrophobicContact CD2-CE2 4.39Å; F93-Y161 HydrophobicContact CE1-CE1 4.14Å; F93-Y161 AromaticContact CE1-CZ 3.9Å; F93-Y161 HydrophobicContact CE2-CD2 4.2Å; F93-Y161 HydrophobicContact CE2-CE1 4.31Å; F93-Y161 AromaticContact CE2-CE2 3.86Å; F93-Y161 HydrophobicContact CE2-CE2 3.86Å; F93-Y161 AromaticContact CE2-CZ 3.91Å; F93-Y161 HydrophobicContact CZ-CD1 4.17Å; F93-Y161 HydrophobicContact CZ-CD2 4.46Å; F93-Y161 AromaticContact CZ-CE1 3.64Å; F93-Y161 HydrophobicContact CZ-CE1 3.64Å; F93-Y161 AromaticContact CZ-CE2 3.98Å; F93-Y161 HydrophobicContact CZ-CE2 3.98Å; F93-Y161 AromaticContact CZ-CZ 3.53Å; W153-Y161 WeakPolarHBondContact CB-O 3.15Å; V154-Y161 WeakPolarHBondContact CG2-O 3.31Å; V154-Y161 PolarHBondContact N-O 2.88Å; V154-Y161 PolarHBondContact O-N 3.2Å; A156-Y161 HydrophobicContact CB-CD2 4.46Å; A156-Y161 HydrophobicContact CB-CE2 4.11Å; K159-Y161 HydrophobicContact CB-CE2 3.69Å; K159-Y161 WeakPolarHBondContact O-CD2 3.3Å; K159-Y161 WeakPolarHBondContact O-CE2 3.36Å; Y161-Q165 HydrophobicContact CD1-CG 4.47Å; Y161-F169 AromaticContact CD1-CE2 3.96Å; Y161-F169 HydrophobicContact CD1-CE2 3.96Å; Y161-F169 HydrophobicContact CD1-CZ 4.13Å; Y161-F169 HydrophobicContact CE1-CE2 4.23Å; Y161-F169 HydrophobicContact CE1-CZ 4.2Å
162	S	96.7	Very high	96.2	Very high	1 Å²	1	26 Å²	26	1%	0.007	14%	0.138	C	C	.	.			trans	-72.1	150.8	170	72.6	0	0	0	0	109.9	S164 Q165 V166	S162-S164 PolarHBondContact O-N 3.43Å; S162-Q165 WeakPolarHBondContact O-CB 3.48Å; S162-Q165 PolarHBondContact O-N 3.41Å; S162-Q165 WeakPolarHBondContact OG-CB 3.27Å; S162-Q165 PolarHBondContact OG-N 2.91Å; S162-V166 PolarHBondContact O-N 3.44Å
163	P	97	Very high	96.3	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-32.4	173.7	-25.8	35.7	0	0	0	112.7	L123 I124 A152 V166 G167	L123-P163 HydrophobicContact CB-CB 4.31Å; L123-P163 HydrophobicContact CB-CG 3.84Å; I124-P163 HydrophobicContact CB-CB 4.02Å; I124-P163 HydrophobicContact CG1-CB 4.19Å; A152-P163 VanDerWaalsContact O-CD 3.28Å; A152-P163 WeakPolarHBondContact O-CD 3.2Å; A152-P163 WeakPolarHBondContact O-CG 3.34Å; P163-V166 PolarHBondContact O-N 3.31Å; P163-G167 PolarHBondContact O-N 3.1Å
164	S	96.3	Very high	96.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-40.7	173.6	-46.8	0	0	0	0	111.8	S162 G167 A168 A204 A208	S162-S164 PolarHBondContact O-N 3.43Å; S164-G167 PolarHBondContact O-N 3.38Å; S164-A168 WeakPolarHBondContact O-CB 3.43Å; S164-A168 PolarHBondContact O-N 3.31Å; S164-A204 WeakPolarHBondContact CB-O 3.08Å; S164-A204 PolarHBondContact OG-O 3.41Å; S164-A208 WeakPolarHBondContact O-CA 3.44Å; S164-A208 WeakPolarHBondContact O-CB 3.31Å
165	Q	95.8	Very high	96.3	Very high	15 Å²	15	27 Å²	27	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-39.1	175.7	-167.7	-177.7	3.7	0	0	111.8	Y161 S162 A168 F169 M561	Y161-Q165 HydrophobicContact CD1-CG 4.47Å; S162-Q165 WeakPolarHBondContact O-CB 3.48Å; S162-Q165 PolarHBondContact O-N 3.41Å; S162-Q165 WeakPolarHBondContact OG-CB 3.27Å; S162-Q165 PolarHBondContact OG-N 2.91Å; Q165-A168 WeakPolarHBondContact O-CB 3.5Å; Q165-A168 PolarHBondContact O-N 3.3Å; Q165-F169 HydrophobicContact CG-CE1 4.1Å; Q165-F169 HydrophobicContact CG-CE2 4.09Å; Q165-F169 HydrophobicContact CG-CZ 3.63Å; Q165-F169 WeakPolarHBondContact O-CD2 3.42Å; Q165-F169 WeakPolarHBondContact O-CG 3.47Å; Q165-F169 PolarHBondContact O-N 3.12Å; Q165-F169 VanDerWaalsContact O-N 3.14Å; Q165-M561 HydrophobicContact CB-SD 4.1Å; Q165-M561 HydrophobicContact CG-SD 4.37Å
166	V	97.8	Very high	96.2	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-43.3	173.9	-176.8	0	0	0	0	111	V91 L117 T120 V154 S162 P163 A168 F169 V170	V91-V166 HydrophobicContact CB-CG1 4.16Å; V91-V166 HydrophobicContact CG2-CG1 3.81Å; L117-V166 HydrophobicContact CB-CG1 4.29Å; L117-V166 HydrophobicContact CD1-CG1 4.39Å; L117-V166 HydrophobicContact CD1-CG2 3.75Å; T120-V166 HydrophobicContact CG2-CB 4.36Å; T120-V166 HydrophobicContact CG2-CG1 3.88Å; V154-V166 HydrophobicContact CG2-CG2 3.87Å; S162-V166 PolarHBondContact O-N 3.44Å; P163-V166 PolarHBondContact O-N 3.31Å; V166-A168 VanDerWaalsContact C-N 3.28Å; V166-A168 PolarHBondContact O-N 2.89Å; V166-F169 WeakPolarHBondContact O-CB 3.37Å; V166-F169 PolarHBondContact O-N 3.49Å; V166-V170 PolarHBondContact O-N 3.17Å
167	G	97.6	Very high	96.4	Very high	6 Å²	6	28.3 Å²	28.3	6%	0.062	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-39.5	172.7	0	0	0	0	0	112.2	P163 S164 F169 V170 L171	P163-G167 PolarHBondContact O-N 3.1Å; S164-G167 PolarHBondContact O-N 3.38Å; G167-F169 VanDerWaalsContact C-N 3.32Å; G167-F169 PolarHBondContact O-N 3.45Å; G167-V170 WeakPolarHBondContact O-CB 3.36Å; G167-V170 PolarHBondContact O-N 2.93Å; G167-V170 VanDerWaalsContact O-N 3.14Å; G167-L171 WeakPolarHBondContact O-CG 3.36Å; G167-L171 PolarHBondContact O-N 2.67Å
168	A	97.8	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-37.5	176.5	0	0	0	0	0	112.5	S164 Q165 V166 V170 L171 M172 A208 I211 A212	S164-A168 WeakPolarHBondContact O-CB 3.43Å; S164-A168 PolarHBondContact O-N 3.31Å; Q165-A168 WeakPolarHBondContact O-CB 3.5Å; Q165-A168 PolarHBondContact O-N 3.3Å; V166-A168 VanDerWaalsContact C-N 3.28Å; V166-A168 PolarHBondContact O-N 2.89Å; A168-V170 VanDerWaalsContact C-N 3.3Å; A168-V170 PolarHBondContact O-N 2.86Å; A168-L171 PolarHBondContact O-N 3.3Å; A168-M172 WeakPolarHBondContact O-CB 3.2Å; A168-M172 WeakPolarHBondContact O-CG 3.4Å; A168-M172 PolarHBondContact O-N 3.44Å; A168-A208 WeakPolarHBondContact CB-O 3.47Å; A168-I211 HydrophobicContact CB-CB 3.63Å; A168-I211 HydrophobicContact CB-CG2 3.45Å; A168-I211 VanDerWaalsContact CB-CG2 3.45Å; A168-A212 HydrophobicContact CB-CB 4.24Å
169	F	97.6	Very high	96.8	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.013	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-39.2	174.7	-56.9	-36	0	0	0	112.2	V91 F93 V101 Y161 Q165 V166 G167 M172 K173	V91-F169 HydrophobicContact CG1-CB 4.4Å; V91-F169 HydrophobicContact CG1-CD2 3.89Å; V91-F169 HydrophobicContact CG2-CB 3.93Å; V91-F169 HydrophobicContact CG2-CD2 4.41Å; F93-F169 HydrophobicContact CZ-CD2 4.33Å; F93-F169 AromaticContact CZ-CE2 3.74Å; F93-F169 HydrophobicContact CZ-CE2 3.74Å; F93-F169 HydrophobicContact CZ-CZ 4.43Å; V101-F169 HydrophobicContact CG2-CB 4.19Å; Y161-F169 AromaticContact CD1-CE2 3.96Å; Y161-F169 HydrophobicContact CD1-CE2 3.96Å; Y161-F169 HydrophobicContact CD1-CZ 4.13Å; Y161-F169 HydrophobicContact CE1-CE2 4.23Å; Y161-F169 HydrophobicContact CE1-CZ 4.2Å; Q165-F169 HydrophobicContact CG-CE1 4.1Å; Q165-F169 HydrophobicContact CG-CE2 4.09Å; Q165-F169 HydrophobicContact CG-CZ 3.63Å; Q165-F169 WeakPolarHBondContact O-CD2 3.42Å; Q165-F169 WeakPolarHBondContact O-CG 3.47Å; Q165-F169 PolarHBondContact O-N 3.12Å; Q165-F169 VanDerWaalsContact O-N 3.14Å; V166-F169 WeakPolarHBondContact O-CB 3.37Å; V166-F169 PolarHBondContact O-N 3.49Å; G167-F169 VanDerWaalsContact C-N 3.32Å; G167-F169 PolarHBondContact O-N 3.45Å; F169-M172 HydrophobicContact CD1-CE 3.46Å; F169-M172 VanDerWaalsContact CD1-CE 3.46Å; F169-M172 HydrophobicContact CE1-CE 4.14Å; F169-M172 HydrophobicContact CG-CE 4.47Å; F169-K173 PolarHBondContact O-N 3Å
170	V	98.4	Very high	96.9	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-44.6	174.3	-178.9	0	0	0	0	110.9	L60 S65 V91 V101 V166 G167 A168 M172 K173 M174	L60-V170 HydrophobicContact CD1-CB 4.15Å; L60-V170 HydrophobicContact CD1-CG1 3.94Å; S65-V170 VanDerWaalsContact OG-CG1 3.29Å; S65-V170 WeakPolarHBondContact OG-CG1 3.4Å; V91-V170 HydrophobicContact CG2-CG2 3.96Å; V101-V170 HydrophobicContact CG1-CG2 4.34Å; V166-V170 PolarHBondContact O-N 3.17Å; G167-V170 WeakPolarHBondContact O-CB 3.36Å; G167-V170 PolarHBondContact O-N 2.93Å; G167-V170 VanDerWaalsContact O-N 3.14Å; A168-V170 VanDerWaalsContact C-N 3.3Å; A168-V170 PolarHBondContact O-N 2.86Å; V170-M172 VanDerWaalsContact C-N 3.31Å; V170-M172 PolarHBondContact O-N 3.44Å; V170-K173 WeakPolarHBondContact O-CB 3.38Å; V170-K173 PolarHBondContact O-N 2.9Å; V170-K173 VanDerWaalsContact O-N 3.14Å; V170-M174 WeakPolarHBondContact O-CG 3.19Å; V170-M174 PolarHBondContact O-N 3.16Å; V170-M174 VanDerWaalsContact O-N 3.09Å
171	L	98.4	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-35.6	177.4	-68.8	173.8	0	0	0	112.7	I58 L60 G167 A168 K173 M174 K175 I191 A208 A212 L214	I58-L171 HydrophobicContact CB-CD2 4.39Å; I58-L171 HydrophobicContact CD1-CD2 3.92Å; I58-L171 HydrophobicContact CG2-CD2 3.72Å; L60-L171 HydrophobicContact CB-CD2 4.24Å; L60-L171 HydrophobicContact CD1-CD2 4.06Å; L60-L171 HydrophobicContact CD1-CG 4.19Å; L60-L171 HydrophobicContact CD2-CD1 4.21Å; L60-L171 HydrophobicContact CD2-CD2 4.18Å; L60-L171 HydrophobicContact CD2-CG 4.22Å; L60-L171 HydrophobicContact CG-CD2 4.38Å; G167-L171 WeakPolarHBondContact O-CG 3.36Å; G167-L171 PolarHBondContact O-N 2.67Å; A168-L171 PolarHBondContact O-N 3.3Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.18Å; L171-M174 WeakPolarHBondContact O-CB 3.33Å; L171-M174 PolarHBondContact O-N 3.2Å; L171-M174 VanDerWaalsContact O-N 3.17Å; L171-K175 WeakPolarHBondContact O-CB 3.42Å; L171-K175 PolarHBondContact O-N 3.25Å; L171-I191 HydrophobicContact CD1-CD1 3.85Å; L171-I191 HydrophobicContact CD2-CD1 4.09Å; L171-I191 HydrophobicContact CD2-CG2 4.48Å; L171-A208 HydrophobicContact CD1-CB 3.92Å; L171-A212 HydrophobicContact CB-CB 3.68Å; L171-L214 HydrophobicContact CB-CD1 4.44Å
172	M	96.4	Very high	96.9	Very high	31 Å²	31	23.8 Å²	23.8	15%	0.153	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-40	173.7	-77.7	-170.1	-71.4	0	0	111.8	A168 F169 V170 M174 K175 E176 A212 A565	A168-M172 WeakPolarHBondContact O-CB 3.2Å; A168-M172 WeakPolarHBondContact O-CG 3.4Å; A168-M172 PolarHBondContact O-N 3.44Å; F169-M172 HydrophobicContact CD1-CE 3.46Å; F169-M172 VanDerWaalsContact CD1-CE 3.46Å; F169-M172 HydrophobicContact CE1-CE 4.14Å; F169-M172 HydrophobicContact CG-CE 4.47Å; V170-M172 VanDerWaalsContact C-N 3.31Å; V170-M172 PolarHBondContact O-N 3.44Å; M172-M174 VanDerWaalsContact C-N 3.32Å; M172-M174 PolarHBondContact O-N 3.46Å; M172-K175 PolarHBondContact O-N 3.47Å; M172-E176 WeakPolarHBondContact O-CB 3.39Å; M172-E176 PolarHBondContact O-N 3.07Å; M172-A212 HydrophobicContact CG-CB 3.72Å; M172-A565 HydrophobicContact CE-CB 4.19Å; M172-A565 HydrophobicContact SD-CB 4.17Å
173	K	96.9	Very high	96.7	Very high	27 Å²	27	27.2 Å²	27.2	12%	0.117	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-35.2	173.3	-175.8	66.3	172.2	-175.5	0	112	E82 T87 V101 F169 V170 L171 T177	E82-K173 IonicContact OE1-NZ 2.84Å; E82-K173 PolarHBondContact OE1-NZ 2.81Å; E82-K173 IonicContact OE2-NZ 2.74Å; T87-K173 HydrophobicContact CG2-CG 4.27Å; V101-K173 HydrophobicContact CB-CB 4.46Å; V101-K173 HydrophobicContact CG1-CB 3.9Å; V101-K173 HydrophobicContact CG1-CG 4.31Å; F169-K173 PolarHBondContact O-N 3Å; V170-K173 WeakPolarHBondContact O-CB 3.38Å; V170-K173 PolarHBondContact O-N 2.9Å; V170-K173 VanDerWaalsContact O-N 3.14Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.18Å; K173-T177 WeakPolarHBondContact O-CB 3.48Å; K173-T177 PolarHBondContact O-N 3.1Å; K173-T177 PolarHBondContact O-OG1 2.95Å
174	M	98.4	Very high	96.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-41.9	175.5	-62.3	-54.4	86.3	0	0	111.6	I58 V67 T87 V170 L171 M172 T177 A178	I58-M174 HydrophobicContact CD1-CB 4.08Å; I58-M174 HydrophobicContact CG1-CB 4.33Å; I58-M174 HydrophobicContact CG2-CB 4.1Å; I58-M174 HydrophobicContact CG2-CG 3.86Å; V67-M174 HydrophobicContact CB-CB 4.18Å; V67-M174 HydrophobicContact CB-SD 4.26Å; V67-M174 HydrophobicContact CG1-SD 4.27Å; T87-M174 VanDerWaalsContact CB-CE 3.49Å; T87-M174 HydrophobicContact CG2-CE 3.82Å; T87-M174 WeakPolarHBondContact OG1-CE 3.48Å; V170-M174 WeakPolarHBondContact O-CG 3.19Å; V170-M174 PolarHBondContact O-N 3.16Å; V170-M174 VanDerWaalsContact O-N 3.09Å; L171-M174 WeakPolarHBondContact O-CB 3.33Å; L171-M174 PolarHBondContact O-N 3.2Å; L171-M174 VanDerWaalsContact O-N 3.17Å; M172-M174 VanDerWaalsContact C-N 3.32Å; M172-M174 PolarHBondContact O-N 3.46Å; M174-T177 WeakPolarHBondContact O-CB 3.49Å; M174-T177 PolarHBondContact O-N 3.02Å; M174-A178 PolarHBondContact O-N 2.85Å
175	K	97.3	Very high	96.2	Very high	30 Å²	30	34.5 Å²	34.5	13%	0.13	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-51.4	172.3	176.2	-179.5	170.6	166.4	0	111	L171 M172 T177 A178 E179 V186 G213 L214	L171-K175 WeakPolarHBondContact O-CB 3.42Å; L171-K175 PolarHBondContact O-N 3.25Å; M172-K175 PolarHBondContact O-N 3.47Å; K175-T177 VanDerWaalsContact C-N 3.26Å; K175-T177 PolarHBondContact O-N 3.24Å; K175-A178 PolarHBondContact O-N 2.88Å; K175-E179 WeakPolarHBondContact CE-OE1 3.25Å; K175-E179 HydrophobicContact CG-CG 4.23Å; K175-E179 WeakPolarHBondContact O-CG 3.49Å; K175-E179 PolarHBondContact O-N 3.37Å; K175-V186 WeakPolarHBondContact CE-O 3.43Å; K175-V186 HydrophobicContact CG-CB 4.39Å; K175-V186 PolarHBondContact NZ-O 2.98Å; K175-G213 PolarHBondContact NZ-O 3.4Å; K175-G213 VanDerWaalsContact NZ-O 3.09Å; K175-L214 HydrophobicContact CB-CD2 4.34Å; K175-L214 HydrophobicContact CD-CD2 3.85Å; K175-L214 HydrophobicContact CD-CG 4.29Å; K175-L214 HydrophobicContact CG-CD2 4.14Å
176	E	95.3	Very high	96.1	Very high	65 Å²	65	33.9 Å²	33.9	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-55.8	-43.2	177.5	-171.5	-162.1	170.5	0	0	111.2	M172 A178 E179 N180	M172-E176 WeakPolarHBondContact O-CB 3.39Å; M172-E176 PolarHBondContact O-N 3.07Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 2.68Å; E176-E179 PolarHBondContact O-N 2.83Å; E176-N180 WeakPolarHBondContact O-CB 3.24Å; E176-N180 PolarHBondContact O-N 3Å; E176-N180 PolarHBondContact O-ND2 3.32Å
177	T	97.7	Very high	96	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-45.6	176.4	-61.8	0	0	0	0	111.6	V67 L78 E79 N80 K173 M174 K175 Y181	V67-T177 HydrophobicContact CG1-CG2 3.83Å; L78-T177 HydrophobicContact CB-CG2 4.14Å; E79-T177 VanDerWaalsContact O-CG2 3.29Å; E79-T177 WeakPolarHBondContact O-CG2 3.29Å; N80-T177 HydrophobicContact CB-CG2 4.37Å; K173-T177 WeakPolarHBondContact O-CB 3.48Å; K173-T177 PolarHBondContact O-N 3.1Å; K173-T177 PolarHBondContact O-OG1 2.95Å; M174-T177 WeakPolarHBondContact O-CB 3.49Å; M174-T177 PolarHBondContact O-N 3.02Å; K175-T177 VanDerWaalsContact C-N 3.26Å; K175-T177 PolarHBondContact O-N 3.24Å; T177-Y181 PolarHBondContact O-N 3.22Å
178	A	97.6	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.2	-39.1	177.1	0	0	0	0	0	113	I56 V67 L78 M174 K175 E176 Y181 L182 V186	I56-A178 HydrophobicContact CD1-CB 4.05Å; I56-A178 HydrophobicContact CG2-CB 3.89Å; V67-A178 HydrophobicContact CG2-CB 4.31Å; L78-A178 HydrophobicContact CD1-CB 4Å; M174-A178 PolarHBondContact O-N 2.85Å; K175-A178 PolarHBondContact O-N 2.88Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 2.68Å; A178-Y181 PolarHBondContact O-N 3.17Å; A178-L182 WeakPolarHBondContact O-CB 3.4Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.49Å; A178-L182 PolarHBondContact O-N 3.25Å; A178-V186 HydrophobicContact CB-CG2 4.2Å
179	E	95.8	Very high	96	Very high	45 Å²	45	40.7 Å²	40.7	21%	0.21	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-43.7	177.6	-71.6	-178.8	148.7	0	0	111.6	K175 E176 Y181 L182 G183 S184 N185 V186	K175-E179 WeakPolarHBondContact CE-OE1 3.25Å; K175-E179 HydrophobicContact CG-CG 4.23Å; K175-E179 WeakPolarHBondContact O-CG 3.49Å; K175-E179 PolarHBondContact O-N 3.37Å; E176-E179 PolarHBondContact O-N 2.83Å; E179-Y181 VanDerWaalsContact C-N 3.27Å; E179-Y181 PolarHBondContact O-N 3.38Å; E179-L182 PolarHBondContact O-N 3.06Å; E179-G183 WeakPolarHBondContact O-CA 3.42Å; E179-G183 PolarHBondContact O-N 3.23Å; E179-S184 WeakPolarHBondContact CA-O 3.47Å; E179-S184 WeakPolarHBondContact CG-O 3.5Å; E179-N185 WeakPolarHBondContact OE1-CA 3.4Å; E179-N185 PolarHBondContact OE1-ND2 3.26Å; E179-V186 HydrophobicContact CG-CB 3.83Å; E179-V186 HydrophobicContact CG-CG2 3.73Å; E179-V186 PolarHBondContact OE1-N 3.38Å
180	N	95.2	Very high	96	Very high	100 Å²	100	40.5 Å²	40.5	54%	0.535	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-37.8	175.8	-72.1	-24.7	0	0	0	111.8	E176	E176-N180 WeakPolarHBondContact O-CB 3.24Å; E176-N180 PolarHBondContact O-N 3Å; E176-N180 PolarHBondContact O-ND2 3.32Å
181	Y	96	Very high	95.9	Very high	97 Å²	97	40.3 Å²	40.3	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-73.7	-44.7	178.2	-177.2	-95.5	0	0	0	112.7	V69 E71 K76 L78 T177 A178 E179	V69-Y181 HydrophobicContact CG2-CE1 4.42Å; E71-Y181 WeakPolarHBondContact OE1-CE1 3.41Å; E71-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E71-Y181 PolarHBondContact OE1-OH 2.88Å; K76-Y181 WeakPolarHBondContact CE-OH 3.48Å; K76-Y181 PolarHBondContact NZ-OH 2.97Å; L78-Y181 HydrophobicContact CD1-CD1 4.04Å; L78-Y181 HydrophobicContact CD1-CG 4.01Å; L78-Y181 HydrophobicContact CD2-CD1 3.53Å; L78-Y181 HydrophobicContact CD2-CD2 3.91Å; L78-Y181 HydrophobicContact CD2-CE1 3.71Å; L78-Y181 HydrophobicContact CD2-CE2 4.07Å; L78-Y181 HydrophobicContact CD2-CG 3.64Å; L78-Y181 HydrophobicContact CG-CD1 4.44Å; L78-Y181 HydrophobicContact CG-CG 4.39Å; T177-Y181 PolarHBondContact O-N 3.22Å; A178-Y181 PolarHBondContact O-N 3.17Å; E179-Y181 VanDerWaalsContact C-N 3.27Å; E179-Y181 PolarHBondContact O-N 3.38Å
182	L	94.3	Very high	95.9	Very high	54 Å²	54	40.3 Å²	40.3	28%	0.283	22%	0.218	S	C	.	.	H	α-helix	trans	-81.5	-15.7	-176.1	-66.8	172.8	0	0	0	113.5	V69 A178 E179 S184 V186	V69-L182 HydrophobicContact CG1-CD1 4.42Å; A178-L182 WeakPolarHBondContact O-CB 3.4Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.49Å; A178-L182 PolarHBondContact O-N 3.25Å; E179-L182 PolarHBondContact O-N 3.06Å; L182-S184 PolarHBondContact O-N 3.36Å; L182-V186 HydrophobicContact CD1-CG2 3.77Å
183	G	93.4	Very high	95.7	Very high	73 Å²	73	38.9 Å²	38.9	75%	0.753	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	20	-175.1	0	0	0	0	0	113.9	E179	E179-G183 WeakPolarHBondContact O-CA 3.42Å; E179-G183 PolarHBondContact O-N 3.23Å
184	S	92	Very high	95.5	Very high	63 Å²	63	37.6 Å²	37.6	44%	0.441	21%	0.205	S	C	.	.	S	Bend	trans	-149.3	158.5	-177.4	59	0	0	0	0	111.6	E179 L182	E179-S184 WeakPolarHBondContact CA-O 3.47Å; E179-S184 WeakPolarHBondContact CG-O 3.5Å; L182-S184 PolarHBondContact O-N 3.36Å
185	N	90.9	Very high	94.9	Very high	102 Å²	102	37.5 Å²	37.5	55%	0.545	21%	0.205	S	C	.	.			trans	-68.5	134.9	-179.1	-170.8	-75.8	0	0	0	111.6	E179 K187	E179-N185 WeakPolarHBondContact OE1-CA 3.4Å; E179-N185 PolarHBondContact OE1-ND2 3.26Å; N185-K187 WeakPolarHBondContact OD1-CG 3.27Å
186	V	94.4	Very high	94.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	21%	0.208	C	C	.	.			trans	-106.2	121	-179.7	174.5	0	0	0	0	110	I56 K175 A178 E179 L182 L214	I56-V186 HydrophobicContact CB-CG1 4.34Å; I56-V186 HydrophobicContact CD1-CG1 3.73Å; I56-V186 HydrophobicContact CG1-CG1 3.79Å; I56-V186 HydrophobicContact CG2-CG1 3.59Å; I56-V186 HydrophobicContact CG2-CG2 4.22Å; K175-V186 WeakPolarHBondContact CE-O 3.43Å; K175-V186 HydrophobicContact CG-CB 4.39Å; K175-V186 PolarHBondContact NZ-O 2.98Å; A178-V186 HydrophobicContact CB-CG2 4.2Å; E179-V186 HydrophobicContact CG-CB 3.83Å; E179-V186 HydrophobicContact CG-CG2 3.73Å; E179-V186 PolarHBondContact OE1-N 3.38Å; L182-V186 HydrophobicContact CD1-CG2 3.77Å; V186-L214 HydrophobicContact CG1-CD2 4.33Å
187	K	94.6	Very high	93.7	Very high	137 Å²	137	35.4 Å²	35.4	60%	0.596	19%	0.194	S	C	*	.			trans	-111.7	-26.4	179.5	-65.8	-168.9	177.9	-173.7	0	114.3	N185 L214 N215	N185-K187 WeakPolarHBondContact OD1-CG 3.27Å; K187-L214 CarbonylContact O-C 3.58Å; K187-L214 WeakPolarHBondContact O-CA 3.28Å; K187-N215 WeakPolarHBondContact O-CB 3.48Å; K187-N215 PolarHBondContact O-N 2.87Å
188	N	96.9	Very high	92.8	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.8	-170.9	-57.3	-56.9	0	0	0	110.8	K52 V55 I56 N215 L217	K52-N188 PolarHBondContact O-ND2 3.28Å; V55-N188 WeakPolarHBondContact CA-O 3.35Å; V55-N188 HydrophobicContact CB-CB 4.41Å; V55-N188 HydrophobicContact CG1-CB 4.43Å; V55-N188 HydrophobicContact CG2-CB 3.93Å; I56-N188 PolarHBondContact N-O 2.96Å; N188-N215 WeakPolarHBondContact CA-O 3.49Å; N188-N215 PolarHBondContact OD1-ND2 3.11Å; N188-L217 HydrophobicContact CB-CD1 3.79Å; N188-L217 HydrophobicContact CB-CG 4.18Å
189	A	97.8	Very high	91.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.1	177.7	0	0	0	0	0	113	I56 I58 I191 L214 N215 V216 L217	I56-A189 HydrophobicContact CG1-CB 3.9Å; I56-A189 CarbonylContact O-C 3.57Å; I56-A189 VanDerWaalsContact O-CA 3.24Å; I56-A189 WeakPolarHBondContact O-CA 3.38Å; I58-A189 HydrophobicContact CD1-CB 4.2Å; A189-I191 HydrophobicContact CB-CG1 4.26Å; A189-L214 HydrophobicContact CB-CB 4.28Å; A189-L214 HydrophobicContact CB-CD1 3.99Å; A189-L214 HydrophobicContact CB-CD2 4.2Å; A189-L214 HydrophobicContact CB-CG 4.39Å; A189-N215 PolarHBondContact N-O 2.83Å; A189-V216 WeakPolarHBondContact O-CA 3.38Å; A189-L217 PolarHBondContact O-N 2.99Å
190	V	97.8	Very high	91.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.9	158.7	176.7	0	0	0	0	107.2	V55 I56 I58 R218 I220 A421 Q424 L428	V55-V190 HydrophobicContact CG1-CG2 4.09Å; I56-V190 PolarHBondContact O-N 3.09Å; I58-V190 PolarHBondContact N-O 2.95Å; V190-R218 WeakPolarHBondContact CA-O 3.29Å; V190-R218 HydrophobicContact CG1-CB 4.45Å; V190-R218 HydrophobicContact CG2-CB 4.38Å; V190-I220 HydrophobicContact CG1-CB 4.12Å; V190-I220 HydrophobicContact CG1-CG2 3.61Å; V190-A421 HydrophobicContact CB-CB 4.49Å; V190-A421 HydrophobicContact CG1-CB 4.12Å; V190-Q424 HydrophobicContact CG1-CB 4.26Å; V190-Q424 HydrophobicContact CG1-CG 4.11Å; V190-Q424 HydrophobicContact CG2-CG 4.37Å; V190-L428 HydrophobicContact CG2-CD1 3.94Å
191	I	97.9	Very high	90.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.5	-176.3	-57	178.4	0	0	0	109.5	I58 L60 L171 A189 T205 V216 R218 V219 I220	I58-I191 WeakPolarHBondContact O-CA 3.21Å; L60-I191 HydrophobicContact CB-CG2 4.06Å; L60-I191 HydrophobicContact CD2-CG2 4.45Å; L171-I191 HydrophobicContact CD1-CD1 3.85Å; L171-I191 HydrophobicContact CD2-CD1 4.09Å; L171-I191 HydrophobicContact CD2-CG2 4.48Å; A189-I191 HydrophobicContact CB-CG1 4.26Å; I191-T205 HydrophobicContact CG2-CG2 3.7Å; I191-V216 HydrophobicContact CD1-CG1 4.23Å; I191-V216 HydrophobicContact CD1-CG2 3.68Å; I191-V216 HydrophobicContact CG1-CG1 4.32Å; I191-R218 PolarHBondContact N-O 3.18Å; I191-R218 VanDerWaalsContact N-O 3.13Å; I191-V219 CarbonylContact O-C 3.53Å; I191-V219 VanDerWaalsContact O-CA 3.28Å; I191-V219 WeakPolarHBondContact O-CA 3.45Å; I191-I220 PolarHBondContact O-N 2.76Å
192	T	96.9	Very high	90.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	151	-177.8	67.9	0	0	0	0	112.4	I58 D59 L60 I220 V417 A421	I58-T192 WeakPolarHBondContact O-CG2 3.39Å; I58-T192 PolarHBondContact O-N 2.92Å; D59-T192 VanDerWaalsContact CA-OG1 3.25Å; D59-T192 WeakPolarHBondContact CA-OG1 3.33Å; D59-T192 HydrophobicContact CB-CG2 4.28Å; D59-T192 PolarHBondContact OD1-OG1 2.88Å; L60-T192 PolarHBondContact N-OG1 3.39Å; T192-I220 CarbonylContact C-O 3.59Å; T192-I220 VanDerWaalsContact CA-O 3.29Å; T192-I220 WeakPolarHBondContact CA-O 3.29Å; T192-I220 HydrophobicContact CG2-CG2 4.02Å; T192-V417 HydrophobicContact CG2-CG1 3.42Å; T192-V417 VanDerWaalsContact CG2-CG1 3.42Å; T192-A421 HydrophobicContact CG2-CB 3.86Å
193	V	93.8	Very high	90	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.3	168.8	-68.3	0	0	0	0	110.8	A195 F197 R202 T205 V219 I220 N221 E222	V193-A195 PolarHBondContact O-N 3.46Å; V193-F197 HydrophobicContact CB-CD2 3.82Å; V193-F197 HydrophobicContact CB-CE2 4.42Å; V193-F197 HydrophobicContact CB-CG 4.34Å; V193-F197 HydrophobicContact CG1-CD2 3.96Å; V193-F197 HydrophobicContact CG1-CE2 4.35Å; V193-R202 HydrophobicContact CG2-CG 4.31Å; V193-T205 HydrophobicContact CG1-CG2 3.7Å; V193-V219 HydrophobicContact CB-CG1 4.02Å; V193-V219 HydrophobicContact CG1-CG1 3.48Å; V193-V219 VanDerWaalsContact CG1-CG1 3.48Å; V193-V219 HydrophobicContact CG2-CG1 3.37Å; V193-I220 PolarHBondContact N-O 3.05Å; V193-N221 CarbonylContact O-C 3.47Å; V193-N221 WeakPolarHBondContact O-CA 3.41Å; V193-E222 VanDerWaalsContact C-OE1 3.29Å; V193-E222 WeakPolarHBondContact O-CG 3.44Å; V193-E222 PolarHBondContact O-N 2.76Å
194	P	92.1	Very high	89.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.			trans	-54.7	139.7	170.1	-29.1	40.2	0	0	0	110.4	Y196 F197 E222 T249 D251	P194-Y196 PolarHBondContact O-N 3.22Å; P194-F197 HydrophobicContact CB-CD1 3.55Å; P194-F197 HydrophobicContact CB-CE1 3.82Å; P194-F197 HydrophobicContact CB-CG 4.17Å; P194-F197 HydrophobicContact CG-CD1 3.64Å; P194-F197 HydrophobicContact CG-CE1 3.4Å; P194-F197 HydrophobicContact CG-CE2 4.4Å; P194-F197 HydrophobicContact CG-CG 4.26Å; P194-F197 HydrophobicContact CG-CZ 3.82Å; P194-F197 WeakPolarHBondContact O-CB 3.42Å; P194-F197 PolarHBondContact O-N 3.44Å; P194-E222 WeakPolarHBondContact CD-OE1 3.22Å; P194-T249 HydrophobicContact CB-CG2 4.14Å; P194-T249 HydrophobicContact CG-CG2 3.7Å; P194-D251 VanDerWaalsContact CB-OD2 3.29Å; P194-D251 WeakPolarHBondContact CB-OD2 3.37Å
195	A	86.3	Confident	89.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.008	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.9	-176	0	0	0	0	0	111.8	V193 F197 R202 N221 P223 D251 T267	V193-A195 PolarHBondContact O-N 3.46Å; A195-F197 VanDerWaalsContact C-N 3.27Å; A195-F197 PolarHBondContact O-N 3.42Å; A195-R202 PolarHBondContact O-NH2 2.87Å; A195-N221 HydrophobicContact CB-CB 4.09Å; A195-P223 HydrophobicContact CB-CG 3.64Å; A195-D251 HydrophobicContact CB-CB 4.44Å; A195-D251 PolarHBondContact N-OD1 3.4Å; A195-D251 VanDerWaalsContact N-OD1 3.11Å; A195-T267 VanDerWaalsContact CB-OG1 3.3Å; A195-T267 WeakPolarHBondContact CB-OG1 3.3Å
196	Y	82.9	Confident	90	Very high	49 Å²	49	20.3 Å²	20.3	19%	0.192	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	8.8	179.4	-140.4	-116.9	0	0	0	114.6	P194 N198 D251 T271 P442 L443	P194-Y196 PolarHBondContact O-N 3.22Å; Y196-N198 PolarHBondContact O-N 3.34Å; Y196-D251 PolarHBondContact N-OD1 3.44Å; Y196-T271 HydrophobicContact CD1-CG2 4.23Å; Y196-T271 WeakPolarHBondContact O-CG2 3.22Å; Y196-P442 HydrophobicContact CD2-CB 4.04Å; Y196-P442 HydrophobicContact CE2-CB 4.37Å; Y196-L443 HydrophobicContact CE1-CD2 4.47Å; Y196-L443 HydrophobicContact CE2-CD2 4.29Å; Y196-L443 WeakPolarHBondContact OH-CD2 3.31Å
197	F	83.9	Confident	89.9	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.009	9%	0.094	C	C	.	.			trans	-63.2	134.5	171.3	-93.7	21.8	0	0	0	111.8	K121 I124 V193 P194 A195 Q201 R202 T249 T271	K121-F197 HydrophobicContact CG-CZ 4.23Å; I124-F197 HydrophobicContact CG2-CE2 3.91Å; I124-F197 HydrophobicContact CG2-CZ 4.03Å; V193-F197 HydrophobicContact CB-CD2 3.82Å; V193-F197 HydrophobicContact CB-CE2 4.42Å; V193-F197 HydrophobicContact CB-CG 4.34Å; V193-F197 HydrophobicContact CG1-CD2 3.96Å; V193-F197 HydrophobicContact CG1-CE2 4.35Å; P194-F197 HydrophobicContact CB-CD1 3.55Å; P194-F197 HydrophobicContact CB-CE1 3.82Å; P194-F197 HydrophobicContact CB-CG 4.17Å; P194-F197 HydrophobicContact CG-CD1 3.64Å; P194-F197 HydrophobicContact CG-CE1 3.4Å; P194-F197 HydrophobicContact CG-CE2 4.4Å; P194-F197 HydrophobicContact CG-CG 4.26Å; P194-F197 HydrophobicContact CG-CZ 3.82Å; P194-F197 WeakPolarHBondContact O-CB 3.42Å; P194-F197 PolarHBondContact O-N 3.44Å; A195-F197 VanDerWaalsContact C-N 3.27Å; A195-F197 PolarHBondContact O-N 3.42Å; F197-Q201 HydrophobicContact CB-CB 4.1Å; F197-Q201 HydrophobicContact CD1-CB 4.38Å; F197-Q201 HydrophobicContact CD2-CB 3.36Å; F197-Q201 HydrophobicContact CD2-CG 4.44Å; F197-Q201 HydrophobicContact CE2-CB 3.75Å; F197-Q201 HydrophobicContact CG-CB 3.72Å; F197-Q201 HydrophobicContact CG-CG 4.5Å; F197-Q201 HydrophobicContact CZ-CB 4.39Å; F197-R202 HydrophobicContact CB-CG 4.12Å; F197-R202 PolarHBondContact O-NE 2.82Å; F197-T249 HydrophobicContact CE1-CG2 4.33Å; F197-T271 HydrophobicContact CD1-CG2 4.14Å
198	N	77.5	Confident	90	Very high	34 Å²	34	14 Å²	14	18%	0.182	7%	0.066	C	C	.	.			trans	-76.6	174	171.4	72.8	41.1	0	0	0	111.4	Y196 S200 Q201 R202	Y196-N198 PolarHBondContact O-N 3.34Å; N198-S200 VanDerWaalsContact C-N 3.34Å; N198-S200 PolarHBondContact O-N 3.21Å; N198-S200 WeakPolarHBondContact OD1-CB 3.43Å; N198-S200 PolarHBondContact OD1-N 3.39Å; N198-Q201 VanDerWaalsContact N-OE1 3.07Å; N198-Q201 PolarHBondContact ND2-OE1 2.97Å; N198-Q201 PolarHBondContact O-N 3.4Å; N198-Q201 WeakPolarHBondContact OD1-CG 3.41Å; N198-Q201 PolarHBondContact OD1-N 2.96Å; N198-R202 WeakPolarHBondContact O-CG 2.95Å; N198-R202 PolarHBondContact O-N 3.16Å
199	D	76.6	Confident	89.9	Confident	20 Å²	20	13.3 Å²	13.3	11%	0.107	6%	0.062	C	C	.	.	H	α-helix	trans	-64.2	-35.9	-173.4	-159	58.2	0	0	0	112.8	Q201 R202 Q203 S549	D199-Q201 PolarHBondContact O-N 2.77Å; D199-R202 PolarHBondContact O-N 3.38Å; D199-Q203 PolarHBondContact O-N 2.9Å; D199-S549 VanDerWaalsContact C-CB 3.43Å; D199-S549 WeakPolarHBondContact CB-OG 3.46Å; D199-S549 VanDerWaalsContact O-CB 3.31Å; D199-S549 WeakPolarHBondContact O-CB 3.39Å; D199-S549 PolarHBondContact O-OG 3.05Å; D199-S549 WeakPolarHBondContact OD2-CB 3.23Å; D199-S549 PolarHBondContact OD2-N 3.3Å; D199-S549 PolarHBondContact OD2-OG 2.97Å
200	S	81.6	Confident	89.7	Confident	20 Å²	20	16.7 Å²	16.7	14%	0.14	8%	0.078	C	C	.	.	H	α-helix	trans	-66.5	-38.7	176.8	-52.8	0	0	0	0	112.6	N198 A204 S549	N198-S200 VanDerWaalsContact C-N 3.34Å; N198-S200 PolarHBondContact O-N 3.21Å; N198-S200 WeakPolarHBondContact OD1-CB 3.43Å; N198-S200 PolarHBondContact OD1-N 3.39Å; S200-A204 VanDerWaalsContact O-CB 3.3Å; S200-A204 WeakPolarHBondContact O-CB 3.43Å; S200-A204 PolarHBondContact O-N 3.06Å; S200-S549 PolarHBondContact N-OG 2.71Å; S200-S549 VanDerWaalsContact N-OG 3.15Å
201	Q	87.5	Confident	89.6	Confident	3 Å²	3	16.8 Å²	16.8	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-70	-41.5	177.5	-59.3	176	-69.8	0	0	111.4	I124 F197 N198 D199 A204 T205	I124-Q201 WeakPolarHBondContact O-CG 3.46Å; F197-Q201 HydrophobicContact CB-CB 4.1Å; F197-Q201 HydrophobicContact CD1-CB 4.38Å; F197-Q201 HydrophobicContact CD2-CB 3.36Å; F197-Q201 HydrophobicContact CD2-CG 4.44Å; F197-Q201 HydrophobicContact CE2-CB 3.75Å; F197-Q201 HydrophobicContact CG-CB 3.72Å; F197-Q201 HydrophobicContact CG-CG 4.5Å; F197-Q201 HydrophobicContact CZ-CB 4.39Å; N198-Q201 VanDerWaalsContact N-OE1 3.07Å; N198-Q201 PolarHBondContact ND2-OE1 2.97Å; N198-Q201 PolarHBondContact O-N 3.4Å; N198-Q201 WeakPolarHBondContact OD1-CG 3.41Å; N198-Q201 PolarHBondContact OD1-N 2.96Å; D199-Q201 PolarHBondContact O-N 2.77Å; Q201-A204 PolarHBondContact O-N 2.8Å; Q201-T205 PolarHBondContact O-N 3.13Å; Q201-T205 PolarHBondContact O-OG1 2.97Å
202	R	88.2	Confident	89.5	Confident	36 Å²	36	17 Å²	17	14%	0.136	8%	0.081	C	C	.	.	H	α-helix	trans	-59.9	-46.7	174.9	-70.7	174	-178.6	-84.3	-6.6	111.5	V193 A195 F197 N198 D199 T205 K206 N221	V193-R202 HydrophobicContact CG2-CG 4.31Å; A195-R202 PolarHBondContact O-NH2 2.87Å; F197-R202 HydrophobicContact CB-CG 4.12Å; F197-R202 PolarHBondContact O-NE 2.82Å; N198-R202 WeakPolarHBondContact O-CG 2.95Å; N198-R202 PolarHBondContact O-N 3.16Å; D199-R202 PolarHBondContact O-N 3.38Å; R202-T205 PolarHBondContact O-N 3.24Å; R202-K206 PolarHBondContact O-N 3.36Å; R202-N221 VanDerWaalsContact CZ-OD1 3.22Å; R202-N221 PolarHBondContact NH1-OD1 2.88Å; R202-N221 PolarHBondContact NH2-OD1 3.26Å
203	Q	86.8	Confident	89.4	Confident	49 Å²	49	18.9 Å²	18.9	23%	0.229	10%	0.1	C	C	.	.	H	α-helix	trans	-64.1	-45.4	177	-174.2	64.3	40.8	0	0	111.3	D199 T205 K206 D207 S549	D199-Q203 PolarHBondContact O-N 2.9Å; Q203-T205 VanDerWaalsContact C-N 3.26Å; Q203-T205 PolarHBondContact O-N 3.41Å; Q203-K206 CarbonylContact O-C 3.43Å; Q203-K206 WeakPolarHBondContact O-CA 3.22Å; Q203-K206 VanDerWaalsContact O-CB 3.31Å; Q203-K206 WeakPolarHBondContact O-CB 3.38Å; Q203-K206 PolarHBondContact O-N 3.27Å; Q203-D207 PolarHBondContact NE2-OD1 3.2Å; Q203-D207 PolarHBondContact O-N 3.18Å; Q203-S549 VanDerWaalsContact CG-O 3.28Å; Q203-S549 WeakPolarHBondContact CG-O 3.22Å
204	A	90.9	Very high	89.5	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-35.5	178.9	0	0	0	0	0	112.6	I124 S164 S200 Q201 D207 A208	I124-A204 HydrophobicContact CD1-CB 4.29Å; I124-A204 HydrophobicContact CG1-CB 3.63Å; S164-A204 WeakPolarHBondContact CB-O 3.08Å; S164-A204 PolarHBondContact OG-O 3.41Å; S200-A204 VanDerWaalsContact O-CB 3.3Å; S200-A204 WeakPolarHBondContact O-CB 3.43Å; S200-A204 PolarHBondContact O-N 3.06Å; Q201-A204 PolarHBondContact O-N 2.8Å; A204-D207 PolarHBondContact O-N 2.71Å; A204-A208 PolarHBondContact O-N 3.16Å
205	T	93.6	Very high	89.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-39.2	171.1	-62.5	0	0	0	0	112.3	L60 I191 V193 Q201 R202 Q203 A208 G209	L60-T205 HydrophobicContact CD2-CG2 4.17Å; I191-T205 HydrophobicContact CG2-CG2 3.7Å; V193-T205 HydrophobicContact CG1-CG2 3.7Å; Q201-T205 PolarHBondContact O-N 3.13Å; Q201-T205 PolarHBondContact O-OG1 2.97Å; R202-T205 PolarHBondContact O-N 3.24Å; Q203-T205 VanDerWaalsContact C-N 3.26Å; Q203-T205 PolarHBondContact O-N 3.41Å; T205-A208 WeakPolarHBondContact O-CB 3.33Å; T205-A208 PolarHBondContact O-N 2.72Å; T205-G209 PolarHBondContact O-N 3.31Å
206	K	92.1	Very high	90	Very high	62 Å²	62	23.7 Å²	23.7	27%	0.27	13%	0.125	S	C	.	.	H	α-helix	trans	-62.7	-43.2	173.6	-171.8	176.3	-179.2	175.9	0	111.5	R202 Q203 A208 G209 Q210 V216 V219	R202-K206 PolarHBondContact O-N 3.36Å; Q203-K206 CarbonylContact O-C 3.43Å; Q203-K206 WeakPolarHBondContact O-CA 3.22Å; Q203-K206 VanDerWaalsContact O-CB 3.31Å; Q203-K206 WeakPolarHBondContact O-CB 3.38Å; Q203-K206 PolarHBondContact O-N 3.27Å; K206-A208 VanDerWaalsContact C-N 3.3Å; K206-A208 PolarHBondContact O-N 3.31Å; K206-G209 PolarHBondContact O-N 3.24Å; K206-G209 VanDerWaalsContact O-N 3.11Å; K206-Q210 PolarHBondContact O-N 3.25Å; K206-V216 HydrophobicContact CG-CB 4.05Å; K206-V216 HydrophobicContact CG-CG1 4.22Å; K206-V216 HydrophobicContact CG-CG2 4.42Å; K206-V219 HydrophobicContact CB-CG2 4.29Å
207	D	92.5	Very high	90.4	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-40.1	176.1	-60.3	-18.4	0	0	0	110.7	Q203 A204 G209 Q210 I211 L553 I558	Q203-D207 PolarHBondContact NE2-OD1 3.2Å; Q203-D207 PolarHBondContact O-N 3.18Å; A204-D207 PolarHBondContact O-N 2.71Å; D207-G209 VanDerWaalsContact C-N 3.29Å; D207-G209 PolarHBondContact O-N 3.09Å; D207-Q210 WeakPolarHBondContact O-CB 3.11Å; D207-Q210 PolarHBondContact O-N 2.98Å; D207-Q210 VanDerWaalsContact O-N 3.14Å; D207-I211 VanDerWaalsContact O-CG1 3.24Å; D207-I211 WeakPolarHBondContact O-CG1 3.37Å; D207-I211 PolarHBondContact O-N 3.49Å; D207-L553 HydrophobicContact CB-CD1 4.5Å; D207-I558 HydrophobicContact CB-CD1 4.28Å
208	A	96.1	Very high	90.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-41.6	173.8	0	0	0	0	0	112.1	S164 A168 L171 A204 T205 K206 I211 A212	S164-A208 WeakPolarHBondContact O-CA 3.44Å; S164-A208 WeakPolarHBondContact O-CB 3.31Å; A168-A208 WeakPolarHBondContact CB-O 3.47Å; L171-A208 HydrophobicContact CD1-CB 3.92Å; A204-A208 PolarHBondContact O-N 3.16Å; T205-A208 WeakPolarHBondContact O-CB 3.33Å; T205-A208 PolarHBondContact O-N 2.72Å; K206-A208 VanDerWaalsContact C-N 3.3Å; K206-A208 PolarHBondContact O-N 3.31Å; A208-I211 PolarHBondContact O-N 3.02Å; A208-A212 WeakPolarHBondContact O-CB 3.33Å; A208-A212 PolarHBondContact O-N 3.3Å
209	G	96	Very high	91.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-42.3	174.2	0	0	0	0	0	112.9	T205 K206 D207 I211 A212 G213 L214	T205-G209 PolarHBondContact O-N 3.31Å; K206-G209 PolarHBondContact O-N 3.24Å; K206-G209 VanDerWaalsContact O-N 3.11Å; D207-G209 VanDerWaalsContact C-N 3.29Å; D207-G209 PolarHBondContact O-N 3.09Å; G209-I211 PolarHBondContact O-N 2.93Å; G209-A212 CarbonylContact O-C 3.54Å; G209-A212 WeakPolarHBondContact O-CB 3.35Å; G209-A212 PolarHBondContact O-N 3.28Å; G209-A212 VanDerWaalsContact O-N 3.16Å; G209-G213 PolarHBondContact O-N 3.37Å; G209-L214 CarbonylContact C-O 3.55Å; G209-L214 WeakPolarHBondContact O-CA 3.5Å; G209-L214 WeakPolarHBondContact O-CB 3.28Å; G209-L214 PolarHBondContact O-N 3.08Å
210	Q	93.7	Very high	92.2	Very high	71 Å²	71	23.8 Å²	23.8	33%	0.332	13%	0.128	S	C	.	.	H	α-helix	trans	-61.6	-45	175.4	-68.1	-179.2	-8.5	0	0	111.9	K206 D207 A212 G213 I558	K206-Q210 PolarHBondContact O-N 3.25Å; D207-Q210 WeakPolarHBondContact O-CB 3.11Å; D207-Q210 PolarHBondContact O-N 2.98Å; D207-Q210 VanDerWaalsContact O-N 3.14Å; Q210-A212 PolarHBondContact O-N 2.96Å; Q210-G213 PolarHBondContact O-N 3.16Å; Q210-I558 HydrophobicContact CB-CG2 4.49Å
211	I	94.5	Very high	92.8	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-60.9	-33.8	176	-64.2	161.8	0	0	0	111.2	A168 D207 A208 G209 G213 L553 I558 M561 A565	A168-I211 HydrophobicContact CB-CB 3.63Å; A168-I211 HydrophobicContact CB-CG2 3.45Å; A168-I211 VanDerWaalsContact CB-CG2 3.45Å; D207-I211 VanDerWaalsContact O-CG1 3.24Å; D207-I211 WeakPolarHBondContact O-CG1 3.37Å; D207-I211 PolarHBondContact O-N 3.49Å; A208-I211 PolarHBondContact O-N 3.02Å; G209-I211 PolarHBondContact O-N 2.93Å; I211-G213 PolarHBondContact O-N 3.48Å; I211-L553 HydrophobicContact CD1-CD1 3.96Å; I211-I558 HydrophobicContact CG1-CG2 4.44Å; I211-M561 HydrophobicContact CD1-CB 4.12Å; I211-M561 HydrophobicContact CD1-SD 3.7Å; I211-M561 HydrophobicContact CG1-CB 3.94Å; I211-M561 HydrophobicContact CG2-CB 4.03Å; I211-A565 HydrophobicContact CG2-CB 4.26Å; I211-A565 WeakPolarHBondContact O-CB 3.35Å
212	A	95.9	Very high	93.1	Very high	5 Å²	5	23.4 Å²	23.4	4%	0.041	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	2.4	175	0	0	0	0	0	114.1	A168 L171 M172 A208 G209 Q210 L214	A168-A212 HydrophobicContact CB-CB 4.24Å; L171-A212 HydrophobicContact CB-CB 3.68Å; M172-A212 HydrophobicContact CG-CB 3.72Å; A208-A212 WeakPolarHBondContact O-CB 3.33Å; A208-A212 PolarHBondContact O-N 3.3Å; G209-A212 CarbonylContact O-C 3.54Å; G209-A212 WeakPolarHBondContact O-CB 3.35Å; G209-A212 PolarHBondContact O-N 3.28Å; G209-A212 VanDerWaalsContact O-N 3.16Å; Q210-A212 PolarHBondContact O-N 2.96Å; A212-L214 HydrophobicContact CB-CD1 4.4Å
213	G	94.2	Very high	93.4	Very high	39 Å²	39	21.7 Å²	21.7	40%	0.402	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	32.2	-176.8	0	0	0	0	0	113	K175 G209 Q210 I211	K175-G213 PolarHBondContact NZ-O 3.4Å; K175-G213 VanDerWaalsContact NZ-O 3.09Å; G209-G213 PolarHBondContact O-N 3.37Å; Q210-G213 PolarHBondContact O-N 3.16Å; I211-G213 PolarHBondContact O-N 3.48Å
214	L	95.9	Very high	93.8	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.026	11%	0.106	C	C	.	.			trans	-109.3	131.3	173.4	-64	168.2	0	0	0	110.2	I58 L171 K175 V186 K187 A189 G209 A212 V216	I58-L214 HydrophobicContact CD1-CD1 3.76Å; L171-L214 HydrophobicContact CB-CD1 4.44Å; K175-L214 HydrophobicContact CB-CD2 4.34Å; K175-L214 HydrophobicContact CD-CD2 3.85Å; K175-L214 HydrophobicContact CD-CG 4.29Å; K175-L214 HydrophobicContact CG-CD2 4.14Å; V186-L214 HydrophobicContact CG1-CD2 4.33Å; K187-L214 CarbonylContact O-C 3.58Å; K187-L214 WeakPolarHBondContact O-CA 3.28Å; A189-L214 HydrophobicContact CB-CB 4.28Å; A189-L214 HydrophobicContact CB-CD1 3.99Å; A189-L214 HydrophobicContact CB-CD2 4.2Å; A189-L214 HydrophobicContact CB-CG 4.39Å; G209-L214 CarbonylContact C-O 3.55Å; G209-L214 WeakPolarHBondContact O-CA 3.5Å; G209-L214 WeakPolarHBondContact O-CB 3.28Å; G209-L214 PolarHBondContact O-N 3.08Å; A212-L214 HydrophobicContact CB-CD1 4.4Å; L214-V216 PolarHBondContact O-N 3.42Å
215	N	94.9	Very high	94	Very high	89 Å²	89	19.4 Å²	19.4	48%	0.476	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	98.9	161.2	-179.6	31.5	0	0	0	108.8	K187 N188 A189 L217	K187-N215 WeakPolarHBondContact O-CB 3.48Å; K187-N215 PolarHBondContact O-N 2.87Å; N188-N215 WeakPolarHBondContact CA-O 3.49Å; N188-N215 PolarHBondContact OD1-ND2 3.11Å; A189-N215 PolarHBondContact N-O 2.83Å; N215-L217 WeakPolarHBondContact ND2-CD2 3.42Å; N215-L217 PolarHBondContact O-N 2.87Å
216	V	94.1	Very high	94.2	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.048	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	97.1	178.6	-173.7	0	0	0	0	109	A189 I191 K206 L214 V219	A189-V216 WeakPolarHBondContact O-CA 3.38Å; I191-V216 HydrophobicContact CD1-CG1 4.23Å; I191-V216 HydrophobicContact CD1-CG2 3.68Å; I191-V216 HydrophobicContact CG1-CG1 4.32Å; K206-V216 HydrophobicContact CG-CB 4.05Å; K206-V216 HydrophobicContact CG-CG1 4.22Å; K206-V216 HydrophobicContact CG-CG2 4.42Å; L214-V216 PolarHBondContact O-N 3.42Å; V216-V219 HydrophobicContact CG1-CG2 3.9Å
217	L	92.3	Very high	94.3	Very high	43 Å²	43	16.4 Å²	16.4	23%	0.225	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-37.2	-178	-65.9	175.8	0	0	0	111.8	I51 V55 N188 A189 N215 L428	I51-L217 HydrophobicContact CD1-CD1 3.81Å; I51-L217 HydrophobicContact CD1-CD2 4.29Å; I51-L217 HydrophobicContact CG2-CD1 4.07Å; V55-L217 HydrophobicContact CB-CD1 4.37Å; V55-L217 HydrophobicContact CG1-CD1 3.76Å; V55-L217 HydrophobicContact CG2-CD1 3.64Å; N188-L217 HydrophobicContact CB-CD1 3.79Å; N188-L217 HydrophobicContact CB-CG 4.18Å; A189-L217 PolarHBondContact O-N 2.99Å; N215-L217 WeakPolarHBondContact ND2-CD2 3.42Å; N215-L217 PolarHBondContact O-N 2.87Å; L217-L428 HydrophobicContact CB-CD1 4.02Å
218	R	90.8	Very high	94.4	Very high	35 Å²	35	16.3 Å²	16.3	13%	0.132	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	145	177.7	-170.2	167.5	-169	161.8	8.9	110.8	V190 I191 L428 A526	V190-R218 WeakPolarHBondContact CA-O 3.29Å; V190-R218 HydrophobicContact CG1-CB 4.45Å; V190-R218 HydrophobicContact CG2-CB 4.38Å; I191-R218 PolarHBondContact N-O 3.18Å; I191-R218 VanDerWaalsContact N-O 3.13Å; R218-L428 HydrophobicContact CB-CD1 3.8Å; R218-A526 PolarHBondContact NH2-O 2.88Å; R218-A526 VanDerWaalsContact NH2-O 3.14Å
219	V	91.4	Very high	94.3	Very high	28 Å²	28	17.5 Å²	17.5	17%	0.17	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.9	163.7	176.7	0	0	0	0	107.2	I191 V193 K206 V216	I191-V219 CarbonylContact O-C 3.53Å; I191-V219 VanDerWaalsContact O-CA 3.28Å; I191-V219 WeakPolarHBondContact O-CA 3.45Å; V193-V219 HydrophobicContact CB-CG1 4.02Å; V193-V219 HydrophobicContact CG1-CG1 3.48Å; V193-V219 VanDerWaalsContact CG1-CG1 3.48Å; V193-V219 HydrophobicContact CG2-CG1 3.37Å; K206-V219 HydrophobicContact CB-CG2 4.29Å; V216-V219 HydrophobicContact CG1-CG2 3.9Å
220	I	93.2	Very high	94.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.5	-176	-171.5	167.2	0	0	0	110.9	V190 I191 T192 V193 T224 A225 L228 A421 Q424 L437	V190-I220 HydrophobicContact CG1-CB 4.12Å; V190-I220 HydrophobicContact CG1-CG2 3.61Å; I191-I220 PolarHBondContact O-N 2.76Å; T192-I220 CarbonylContact C-O 3.59Å; T192-I220 VanDerWaalsContact CA-O 3.29Å; T192-I220 WeakPolarHBondContact CA-O 3.29Å; T192-I220 HydrophobicContact CG2-CG2 4.02Å; V193-I220 PolarHBondContact N-O 3.05Å; I220-T224 HydrophobicContact CD1-CG2 4.35Å; I220-T224 HydrophobicContact CG1-CG2 4.4Å; I220-A225 HydrophobicContact CD1-CB 4.13Å; I220-A225 HydrophobicContact CG1-CB 4.36Å; I220-A225 HydrophobicContact CG2-CB 4.22Å; I220-L228 HydrophobicContact CD1-CD1 3.78Å; I220-A421 HydrophobicContact CG2-CB 4.23Å; I220-Q424 HydrophobicContact CD1-CB 3.83Å; I220-Q424 HydrophobicContact CD1-CG 3.89Å; I220-L437 HydrophobicContact CD1-CD2 4.11Å
221	N	93.3	Very high	93.7	Very high	4 Å²	4	15 Å²	15	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.3	173.9	-66.9	-21.6	0	0	0	110.8	V193 A195 R202 T224 A225 D439	V193-N221 CarbonylContact O-C 3.47Å; V193-N221 WeakPolarHBondContact O-CA 3.41Å; A195-N221 HydrophobicContact CB-CB 4.09Å; R202-N221 VanDerWaalsContact CZ-OD1 3.22Å; R202-N221 PolarHBondContact NH1-OD1 2.88Å; R202-N221 PolarHBondContact NH2-OD1 3.26Å; N221-T224 WeakPolarHBondContact O-CB 3.47Å; N221-T224 PolarHBondContact O-N 3.43Å; N221-T224 VanDerWaalsContact O-N 3.11Å; N221-A225 PolarHBondContact O-N 3.01Å; N221-D439 PolarHBondContact ND2-OD1 3.46Å; N221-D439 VanDerWaalsContact ND2-OD1 3.12Å; N221-D439 PolarHBondContact ND2-OD2 2.93Å
222	E	95.3	Very high	93.1	Very high	10 Å²	10	17.5 Å²	17.5	5%	0.047	11%	0.105	C	C	.	.	H	α-helix	trans	-51.6	-53.4	179.8	-76.6	163.4	-159.8	0	0	113.6	K121 V193 P194 T224 A225 A226 V417	K121-E222 IonicContact NZ-OE1 3.44Å; K121-E222 PolarHBondContact NZ-OE1 3.28Å; V193-E222 VanDerWaalsContact C-OE1 3.29Å; V193-E222 WeakPolarHBondContact O-CG 3.44Å; V193-E222 PolarHBondContact O-N 2.76Å; P194-E222 WeakPolarHBondContact CD-OE1 3.22Å; E222-T224 VanDerWaalsContact C-N 3.26Å; E222-T224 PolarHBondContact O-N 3.47Å; E222-A225 WeakPolarHBondContact O-CB 3.25Å; E222-A225 PolarHBondContact O-N 2.87Å; E222-A226 PolarHBondContact O-N 3.4Å; E222-V417 HydrophobicContact CB-CG1 4.02Å; E222-V417 HydrophobicContact CG-CG1 3.81Å
223	P	94.9	Very high	92.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-30	178.8	23.4	-34.3	0	0	0	112.9	A195 A226 A227 V242 D251 S253	A195-P223 HydrophobicContact CB-CG 3.64Å; P223-A226 PolarHBondContact O-N 2.9Å; P223-A227 WeakPolarHBondContact O-CB 3.24Å; P223-A227 PolarHBondContact O-N 2.79Å; P223-V242 HydrophobicContact CB-CB 3.83Å; P223-V242 HydrophobicContact CB-CG1 3.64Å; P223-D251 HydrophobicContact CG-CB 4.3Å; P223-S253 WeakPolarHBondContact CG-OG 3.27Å
224	T	94.3	Very high	91.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-68.3	-42.1	174.9	-58.3	0	0	0	0	111.4	I220 N221 E222 A227 L228 L437	I220-T224 HydrophobicContact CD1-CG2 4.35Å; I220-T224 HydrophobicContact CG1-CG2 4.4Å; N221-T224 WeakPolarHBondContact O-CB 3.47Å; N221-T224 PolarHBondContact O-N 3.43Å; N221-T224 VanDerWaalsContact O-N 3.11Å; E222-T224 VanDerWaalsContact C-N 3.26Å; E222-T224 PolarHBondContact O-N 3.47Å; T224-A227 WeakPolarHBondContact O-CB 3.5Å; T224-A227 PolarHBondContact O-N 2.85Å; T224-L228 WeakPolarHBondContact O-CG 3.49Å; T224-L228 PolarHBondContact O-N 3.48Å; T224-L437 HydrophobicContact CG2-CD1 3.21Å; T224-L437 HydrophobicContact CG2-CD2 3.57Å; T224-L437 HydrophobicContact CG2-CG 3.97Å
225	A	95.8	Very high	90.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-45.7	173.7	0	0	0	0	0	110.9	I220 N221 E222 A227 L228 A229 V417 G420	I220-A225 HydrophobicContact CD1-CB 4.13Å; I220-A225 HydrophobicContact CG1-CB 4.36Å; I220-A225 HydrophobicContact CG2-CB 4.22Å; N221-A225 PolarHBondContact O-N 3.01Å; E222-A225 WeakPolarHBondContact O-CB 3.25Å; E222-A225 PolarHBondContact O-N 2.87Å; A225-A227 VanDerWaalsContact C-N 3.27Å; A225-A227 PolarHBondContact O-N 3.49Å; A225-L228 WeakPolarHBondContact O-CB 3.38Å; A225-L228 PolarHBondContact O-N 3.38Å; A225-L228 VanDerWaalsContact O-N 3.08Å; A225-A229 PolarHBondContact O-N 3.22Å; A225-V417 HydrophobicContact CB-CG1 4.08Å; A225-V417 WeakPolarHBondContact CB-O 3.35Å; A225-G420 WeakPolarHBondContact O-CA 3.44Å
226	A	96.2	Very high	90	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-36.6	176.1	0	0	0	0	0	113	E222 P223 A229 Y230 V242 V386 A416 V417	E222-A226 PolarHBondContact O-N 3.4Å; P223-A226 PolarHBondContact O-N 2.9Å; A226-A229 PolarHBondContact O-N 3.09Å; A226-Y230 PolarHBondContact O-N 3.32Å; A226-V242 HydrophobicContact CB-CG1 4.12Å; A226-V386 HydrophobicContact CB-CG1 4.27Å; A226-V386 HydrophobicContact CB-CG2 3.5Å; A226-A416 HydrophobicContact CB-CB 4.26Å; A226-V417 HydrophobicContact CB-CG2 4.49Å
227	A	94.9	Very high	89.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-40.9	173.2	0	0	0	0	0	112.4	P223 T224 A225 Y230 G231 I240 V242 L255 F262	P223-A227 WeakPolarHBondContact O-CB 3.24Å; P223-A227 PolarHBondContact O-N 2.79Å; T224-A227 WeakPolarHBondContact O-CB 3.5Å; T224-A227 PolarHBondContact O-N 2.85Å; A225-A227 VanDerWaalsContact C-N 3.27Å; A225-A227 PolarHBondContact O-N 3.49Å; A227-Y230 PolarHBondContact O-N 2.93Å; A227-G231 PolarHBondContact O-N 3.2Å; A227-I240 HydrophobicContact CB-CD1 3.85Å; A227-V242 HydrophobicContact CB-CG2 4.3Å; A227-L255 HydrophobicContact CB-CD1 4.27Å; A227-L255 HydrophobicContact CB-CD2 3.67Å; A227-F262 HydrophobicContact CB-CD1 4.46Å; A227-F262 WeakPolarHBondContact O-CE1 3.42Å
228	L	94	Very high	89.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-45	174.1	-71.3	174.8	0	0	0	111.6	I220 T224 A225 Y230 G231 L232 F262 I423 Q424 V435	I220-L228 HydrophobicContact CD1-CD1 3.78Å; T224-L228 WeakPolarHBondContact O-CG 3.49Å; T224-L228 PolarHBondContact O-N 3.48Å; A225-L228 WeakPolarHBondContact O-CB 3.38Å; A225-L228 PolarHBondContact O-N 3.38Å; A225-L228 VanDerWaalsContact O-N 3.08Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 2.95Å; L228-G231 PolarHBondContact O-N 3.45Å; L228-L232 PolarHBondContact O-N 2.94Å; L228-F262 HydrophobicContact CD2-CD1 4.14Å; L228-F262 HydrophobicContact CD2-CD2 3.78Å; L228-F262 HydrophobicContact CD2-CE1 4.25Å; L228-F262 HydrophobicContact CD2-CE2 3.92Å; L228-F262 HydrophobicContact CD2-CG 3.91Å; L228-F262 HydrophobicContact CD2-CZ 4.16Å; L228-I423 HydrophobicContact CB-CG2 4.47Å; L228-Q424 HydrophobicContact CD1-CB 4.19Å; L228-V435 HydrophobicContact CD2-CG1 3.66Å
229	A	93.9	Very high	90	Very high	26 Å²	26	39.3 Å²	39.3	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-35.3	177	0	0	0	0	0	112.7	A225 A226 A416 I419	A225-A229 PolarHBondContact O-N 3.22Å; A226-A229 PolarHBondContact O-N 3.09Å; A229-A416 HydrophobicContact CB-CB 4.28Å; A229-A416 WeakPolarHBondContact CB-O 3.49Å; A229-I419 HydrophobicContact CB-CB 3.95Å; A229-I419 HydrophobicContact CB-CG2 3.57Å
230	Y	92	Very high	90.3	Very high	15 Å²	15	38 Å²	38	6%	0.059	20%	0.198	C	C	.	.	H	α-helix	trans	-73.2	-44.8	175	166.2	-97.7	0	0	0	113.2	A226 A227 L228 K234 I240 I257 E382 L384 S410 V411	A226-Y230 PolarHBondContact O-N 3.32Å; A227-Y230 PolarHBondContact O-N 2.93Å; L228-Y230 VanDerWaalsContact C-N 3.27Å; L228-Y230 PolarHBondContact O-N 2.95Å; Y230-K234 HydrophobicContact CE1-CG 4.1Å; Y230-K234 WeakPolarHBondContact O-CG 3.21Å; Y230-I240 HydrophobicContact CD1-CD1 4.2Å; Y230-I240 HydrophobicContact CE1-CG2 4.11Å; Y230-I257 HydrophobicContact CD1-CD1 3.85Å; Y230-I257 HydrophobicContact CE1-CD1 3.93Å; Y230-E382 VanDerWaalsContact CE2-OE1 3.24Å; Y230-E382 WeakPolarHBondContact CE2-OE1 3.21Å; Y230-E382 PolarHBondContact OH-OE2 3.42Å; Y230-L384 VanDerWaalsContact CB-CD1 3.49Å; Y230-L384 HydrophobicContact CD1-CD1 4.03Å; Y230-L384 HydrophobicContact CD2-CD1 4.02Å; Y230-L384 HydrophobicContact CD2-CD2 3.66Å; Y230-L384 HydrophobicContact CE2-CD2 3.96Å; Y230-L384 HydrophobicContact CG-CD1 3.56Å; Y230-L384 HydrophobicContact CG-CD2 4.08Å; Y230-L384 HydrophobicContact CG-CG 4.46Å; Y230-S410 VanDerWaalsContact CD2-OG 3.3Å; Y230-S410 WeakPolarHBondContact CD2-OG 3.42Å; Y230-S410 WeakPolarHBondContact CE2-OG 3.19Å; Y230-V411 HydrophobicContact CD2-CG1 4.26Å
231	G	86.7	Confident	90.5	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-92.6	-10	-162.6	0	0	0	0	0	115.6	A227 L228 D233 K234	A227-G231 PolarHBondContact O-N 3.2Å; L228-G231 PolarHBondContact O-N 3.45Å; G231-D233 PolarHBondContact O-N 3.46Å; G231-K234 PolarHBondContact O-N 3.16Å
232	L	81.8	Confident	90.7	Very high	55 Å²	55	37.7 Å²	37.7	29%	0.288	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.8	-175.7	-171.4	68.1	0	0	0	112.9	L228 I423 V432 V435	L228-L232 PolarHBondContact O-N 2.94Å; L232-I423 HydrophobicContact CB-CD1 4.36Å; L232-I423 HydrophobicContact CD1-CG2 4.16Å; L232-I423 HydrophobicContact CD2-CD1 3.91Å; L232-I423 HydrophobicContact CD2-CG1 4.19Å; L232-V432 HydrophobicContact CD1-CG1 4.33Å; L232-V435 HydrophobicContact CD1-CG2 3.8Å
233	D	80.2	Confident	90.8	Very high	147 Å²	147	37.3 Å²	37.3	79%	0.786	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	8.6	-179.5	-62.7	-38	0	0	0	113.4	G231	G231-D233 PolarHBondContact O-N 3.46Å
234	K	79.5	Confident	91	Very high	94 Å²	94	37.5 Å²	37.5	41%	0.409	20%	0.196	S	C	.	.			trans	-101.1	131.6	-175.1	-56.8	-60.2	-176.9	-170.3	0	110.9	Y230 G231	Y230-K234 HydrophobicContact CE1-CG 4.1Å; Y230-K234 WeakPolarHBondContact O-CG 3.21Å; G231-K234 PolarHBondContact O-N 3.16Å
235	T	73.1	Confident	91.2	Very high	120 Å²	120	37.5 Å²	37.5	74%	0.736	20%	0.196	S	C	*	.			trans	-108.6	-6.6	-178.2	54.7	0	0	0	0	113.9
236	Q	82.6	Confident	91.2	Very high	138 Å²	138	38.1 Å²	38.1	65%	0.645	20%	0.202	S	C	*	.	S	Bend	trans	-91.6	137.1	-176.9	-66.5	179.4	-1.9	0	0	111	K238	Q236-K238 PolarHBondContact O-N 3.3Å
237	D	89.7	Confident	91.2	Very high	96 Å²	96	38.8 Å²	38.8	51%	0.513	21%	0.209	S	C	.	.			trans	-67.5	124.3	171.9	-59	-16.6	0	0	0	108.8	I257 Q258	D237-I257 CarbonylContact C-O 3.55Å; D237-I257 VanDerWaalsContact CA-O 3.22Å; D237-I257 WeakPolarHBondContact CA-O 3.18Å; D237-Q258 HydrophobicContact CB-CG 4.39Å; D237-Q258 WeakPolarHBondContact OD1-CA 3.34Å
238	K	91.9	Very high	91.2	Very high	53 Å²	53	38.8 Å²	38.8	23%	0.23	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	137	-173	-170.8	179.9	-102.4	176.4	0	111.6	Q236 I240 I257 G381 E382	Q236-K238 PolarHBondContact O-N 3.3Å; K238-I240 HydrophobicContact CD-CG2 4Å; K238-I240 HydrophobicContact CG-CG2 4.04Å; K238-I257 PolarHBondContact N-O 3.23Å; K238-I257 PolarHBondContact O-N 3.5Å; K238-G381 WeakPolarHBondContact CE-O 3.29Å; K238-E382 HydrophobicContact CD-CB 3.94Å; K238-E382 IonicContact NZ-OE2 2.83Å; K238-E382 PolarHBondContact NZ-OE2 3.21Å
239	I	95.8	Very high	91.3	Very high	33 Å²	33	39 Å²	39	17%	0.169	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.4	166.6	-55	178.6	0	0	0	108.4	V254 L255 E256 V375 D379 I380 G381 E382	I239-V254 HydrophobicContact CG2-CG1 3.62Å; I239-L255 CarbonylContact C-O 3.57Å; I239-L255 VanDerWaalsContact CA-O 3.3Å; I239-L255 WeakPolarHBondContact CA-O 3.48Å; I239-E256 HydrophobicContact CG1-CB 4.44Å; I239-E256 HydrophobicContact CG1-CG 4.17Å; I239-V375 HydrophobicContact CD1-CG1 3.91Å; I239-D379 HydrophobicContact CD1-CB 4.49Å; I239-I380 HydrophobicContact CG2-CD1 3.8Å; I239-G381 WeakPolarHBondContact O-CA 3.47Å; I239-G381 PolarHBondContact O-N 3.32Å; I239-E382 PolarHBondContact O-N 2.86Å
240	I	96.4	Very high	91.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.5	178.7	65.5	163.6	0	0	0	110.8	A227 Y230 K238 V242 V254 L255 I257 E382 L384	A227-I240 HydrophobicContact CB-CD1 3.85Å; Y230-I240 HydrophobicContact CD1-CD1 4.2Å; Y230-I240 HydrophobicContact CE1-CG2 4.11Å; K238-I240 HydrophobicContact CD-CG2 4Å; K238-I240 HydrophobicContact CG-CG2 4.04Å; I240-V242 HydrophobicContact CD1-CG2 3.98Å; I240-V254 WeakPolarHBondContact O-CA 3.32Å; I240-L255 HydrophobicContact CG1-CB 3.97Å; I240-L255 HydrophobicContact CG1-CD1 4.37Å; I240-L255 PolarHBondContact N-O 2.93Å; I240-L255 PolarHBondContact O-N 3.03Å; I240-I257 HydrophobicContact CD1-CD1 3.71Å; I240-I257 HydrophobicContact CD1-CG1 4.45Å; I240-I257 HydrophobicContact CG1-CD1 4.15Å; I240-I257 HydrophobicContact CG2-CD1 4.29Å; I240-E382 CarbonylContact C-O 3.34Å; I240-E382 VanDerWaalsContact CA-O 3.29Å; I240-E382 WeakPolarHBondContact CA-O 3.34Å; I240-E382 HydrophobicContact CG2-CB 3.96Å; I240-L384 HydrophobicContact CD1-CD1 3.83Å
241	A	97.8	Very high	91.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.8	168	0	0	0	0	0	109.1	I252 S253 I380 E382 V383 L384 F403	A241-I252 HydrophobicContact CB-CD1 4.19Å; A241-S253 CarbonylContact C-O 3.53Å; A241-S253 WeakPolarHBondContact CA-O 3.4Å; A241-I380 HydrophobicContact CB-CD1 4.47Å; A241-I380 HydrophobicContact CB-CG2 3.95Å; A241-E382 PolarHBondContact N-O 3.35Å; A241-V383 HydrophobicContact CB-CG2 4.31Å; A241-V383 CarbonylContact O-C 3.49Å; A241-V383 VanDerWaalsContact O-CA 3.31Å; A241-V383 WeakPolarHBondContact O-CA 3.25Å; A241-L384 PolarHBondContact O-N 3.32Å; A241-F403 HydrophobicContact CB-CD1 4.41Å; A241-F403 HydrophobicContact CB-CE1 3.81Å; A241-F403 HydrophobicContact CB-CZ 4Å
242	V	98.1	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	107.5	175.4	-174.7	0	0	0	0	108.3	P223 A226 A227 I240 I252 S253 L255 L384 V386	P223-V242 HydrophobicContact CB-CB 3.83Å; P223-V242 HydrophobicContact CB-CG1 3.64Å; A226-V242 HydrophobicContact CB-CG1 4.12Å; A227-V242 HydrophobicContact CB-CG2 4.3Å; I240-V242 HydrophobicContact CD1-CG2 3.98Å; V242-I252 WeakPolarHBondContact O-CA 3.32Å; V242-I252 VanDerWaalsContact O-CD1 3.28Å; V242-I252 WeakPolarHBondContact O-CD1 3.32Å; V242-S253 PolarHBondContact N-O 2.9Å; V242-S253 PolarHBondContact O-N 2.77Å; V242-S253 VanDerWaalsContact O-N 3.11Å; V242-L255 HydrophobicContact CB-CD1 4.35Å; V242-L255 HydrophobicContact CG2-CD1 3.65Å; V242-L384 HydrophobicContact CG2-CB 4.37Å; V242-L384 HydrophobicContact CG2-CD1 4.15Å; V242-V386 HydrophobicContact CG1-CG2 3.7Å
243	Y	98.2	Very high	92.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	104.6	176.7	-175.6	-76.1	0	0	0	108.2	L245 F250 T362 L384 L385 V386 T390 V395 V399	Y243-L245 HydrophobicContact CD1-CB 4.42Å; Y243-L245 HydrophobicContact CE1-CB 3.82Å; Y243-L245 HydrophobicContact CE1-CD2 4.44Å; Y243-F250 HydrophobicContact CD1-CE2 4.05Å; Y243-F250 AromaticContact CD2-CE2 3.71Å; Y243-F250 HydrophobicContact CD2-CE2 3.71Å; Y243-F250 AromaticContact CD2-CZ 3.94Å; Y243-F250 HydrophobicContact CD2-CZ 3.94Å; Y243-F250 HydrophobicContact CE1-CD2 4.33Å; Y243-F250 AromaticContact CE1-CE2 3.74Å; Y243-F250 HydrophobicContact CE1-CE2 3.74Å; Y243-F250 AromaticContact CE2-CE2 3.38Å; Y243-F250 HydrophobicContact CE2-CE2 3.38Å; Y243-F250 AromaticContact CE2-CZ 3.51Å; Y243-F250 HydrophobicContact CE2-CZ 3.51Å; Y243-F250 HydrophobicContact CG-CE2 4.04Å; Y243-F250 AromaticContact CZ-CE2 3.4Å; Y243-F250 AromaticContact CZ-CZ 3.92Å; Y243-T362 WeakPolarHBondContact OH-CB 3.09Å; Y243-T362 WeakPolarHBondContact OH-CG2 3.02Å; Y243-T362 PolarHBondContact OH-OG1 3.45Å; Y243-L384 PolarHBondContact N-O 3.05Å; Y243-L385 HydrophobicContact CD1-CD2 4.04Å; Y243-L385 HydrophobicContact CG-CD2 4.34Å; Y243-V386 PolarHBondContact O-N 2.79Å; Y243-T390 HydrophobicContact CD1-CG2 3.9Å; Y243-T390 HydrophobicContact CE1-CG2 4.1Å; Y243-V395 HydrophobicContact CE1-CG1 3.77Å; Y243-V399 HydrophobicContact CD1-CG2 4Å; Y243-V399 HydrophobicContact CD2-CG2 3.73Å; Y243-V399 HydrophobicContact CE1-CG2 3.97Å; Y243-V399 HydrophobicContact CE2-CG2 3.68Å; Y243-V399 HydrophobicContact CG-CG2 3.88Å
244	D	98	Very high	93.7	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.9	-178.2	-165.9	-18.5	0	0	0	110.2	F250 D251 V386	D244-F250 CarbonylContact O-C 3.53Å; D244-F250 VanDerWaalsContact O-CA 3.3Å; D244-F250 WeakPolarHBondContact O-CA 3.3Å; D244-F250 WeakPolarHBondContact O-CD2 3.48Å; D244-D251 HydrophobicContact CB-CB 4.35Å; D244-D251 PolarHBondContact N-O 3.47Å; D244-D251 PolarHBondContact O-N 3Å; D244-V386 WeakPolarHBondContact CA-O 3.42Å; D244-V386 HydrophobicContact CB-CB 3.98Å; D244-V386 HydrophobicContact CB-CG1 4.37Å; D244-V386 WeakPolarHBondContact OD2-CG1 3.23Å
245	L	98.3	Very high	94.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	94.9	174.5	-173	67.2	0	0	0	109.1	Y243 F250 L273 F278 T362 V386 G387 M389 T390 V395	Y243-L245 HydrophobicContact CD1-CB 4.42Å; Y243-L245 HydrophobicContact CE1-CB 3.82Å; Y243-L245 HydrophobicContact CE1-CD2 4.44Å; L245-F250 HydrophobicContact CB-CD2 4.12Å; L245-F250 HydrophobicContact CD1-CB 3.67Å; L245-F250 HydrophobicContact CD1-CD2 3.77Å; L245-F250 HydrophobicContact CD1-CG 4Å; L245-L273 HydrophobicContact CD1-CG 4.49Å; L245-F278 HydrophobicContact CD2-CZ 4.37Å; L245-T362 HydrophobicContact CD1-CG2 4.32Å; L245-V386 PolarHBondContact N-O 3.46Å; L245-G387 CarbonylContact O-C 3.58Å; L245-G387 WeakPolarHBondContact O-CA 3.15Å; L245-M389 HydrophobicContact CB-CB 4.42Å; L245-M389 HydrophobicContact CD2-CB 3.99Å; L245-M389 HydrophobicContact CD2-CG 3.73Å; L245-M389 HydrophobicContact CG-CB 3.85Å; L245-M389 HydrophobicContact CG-CG 4.03Å; L245-M389 VanDerWaalsContact O-CB 3.23Å; L245-M389 WeakPolarHBondContact O-CB 3.4Å; L245-M389 PolarHBondContact O-N 2.95Å; L245-T390 HydrophobicContact CB-CG2 3.81Å; L245-V395 HydrophobicContact CD2-CG1 4.2Å; L245-V395 HydrophobicContact CD2-CG2 4.17Å
246	G	96.9	Very high	95.5	Very high	13 Å²	13	19.1 Å²	19.1	13%	0.134	10%	0.1	C	C	.	.			trans	-90.2	-156.3	-178.1	0	0	0	0	0	113.8	T249 G274 G275	G246-T249 PolarHBondContact N-O 3.28Å; G246-G274 CarbonylContact O-C 3.53Å; G246-G274 WeakPolarHBondContact O-CA 3.42Å; G246-G275 PolarHBondContact O-N 3.1Å
247	G	96.3	Very high	96	Very high	14 Å²	14	12.7 Å²	12.7	14%	0.144	7%	0.07	C	C	.	.	S	Bend	trans	-75	-33	178.4	0	0	0	0	0	114.3	T63 G274 G275 E276	T63-G247 WeakPolarHBondContact OG1-CA 3.23Å; G247-G274 CarbonylContact O-C 3.57Å; G247-G274 VanDerWaalsContact O-C 3.23Å; G247-G274 WeakPolarHBondContact O-CA 3.34Å; G247-G275 PolarHBondContact O-N 2.93Å; G247-E276 WeakPolarHBondContact O-CB 3.5Å; G247-E276 VanDerWaalsContact O-CG 3.32Å; G247-E276 WeakPolarHBondContact O-CG 3.31Å; G247-E276 PolarHBondContact O-N 3.16Å
248	G	94.9	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-131.3	-13.7	-176.4	0	0	0	0	0	116.1	T62 L273	T62-G248 PolarHBondContact OG1-N 2.93Å; G248-L273 CarbonylContact C-O 3.49Å; G248-L273 CarbonylContact O-C 3.55Å; G248-L273 PolarHBondContact O-N 3.36Å
249	T	94.9	Very high	95.7	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.043	9%	0.088	C	C	.	.			trans	-133.5	152.6	-174.2	54.1	0	0	0	0	111.4	P194 F197 G246 L273	P194-T249 HydrophobicContact CB-CG2 4.14Å; P194-T249 HydrophobicContact CG-CG2 3.7Å; F197-T249 HydrophobicContact CE1-CG2 4.33Å; G246-T249 PolarHBondContact N-O 3.28Å; T249-L273 CarbonylContact C-O 3.56Å; T249-L273 WeakPolarHBondContact CA-O 3.3Å; T249-L273 PolarHBondContact N-O 3.19Å
250	F	97.4	Very high	95.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.2	171.3	172.2	-120.5	0	0	0	108.8	Y243 D244 L245 I252 G269 D270 L273 T362 P365	Y243-F250 HydrophobicContact CD1-CE2 4.05Å; Y243-F250 AromaticContact CD2-CE2 3.71Å; Y243-F250 HydrophobicContact CD2-CE2 3.71Å; Y243-F250 AromaticContact CD2-CZ 3.94Å; Y243-F250 HydrophobicContact CD2-CZ 3.94Å; Y243-F250 HydrophobicContact CE1-CD2 4.33Å; Y243-F250 AromaticContact CE1-CE2 3.74Å; Y243-F250 HydrophobicContact CE1-CE2 3.74Å; Y243-F250 AromaticContact CE2-CE2 3.38Å; Y243-F250 HydrophobicContact CE2-CE2 3.38Å; Y243-F250 AromaticContact CE2-CZ 3.51Å; Y243-F250 HydrophobicContact CE2-CZ 3.51Å; Y243-F250 HydrophobicContact CG-CE2 4.04Å; Y243-F250 AromaticContact CZ-CE2 3.4Å; Y243-F250 AromaticContact CZ-CZ 3.92Å; D244-F250 CarbonylContact O-C 3.53Å; D244-F250 VanDerWaalsContact O-CA 3.3Å; D244-F250 WeakPolarHBondContact O-CA 3.3Å; D244-F250 WeakPolarHBondContact O-CD2 3.48Å; L245-F250 HydrophobicContact CB-CD2 4.12Å; L245-F250 HydrophobicContact CD1-CB 3.67Å; L245-F250 HydrophobicContact CD1-CD2 3.77Å; L245-F250 HydrophobicContact CD1-CG 4Å; F250-I252 HydrophobicContact CE1-CG2 4.47Å; F250-I252 HydrophobicContact CZ-CB 4.2Å; F250-I252 HydrophobicContact CZ-CG2 4.31Å; F250-G269 CarbonylContact O-C 3.58Å; F250-G269 WeakPolarHBondContact O-CA 3.14Å; F250-D270 HydrophobicContact CB-CB 4.45Å; F250-D270 PolarHBondContact N-O 2.99Å; F250-D270 PolarHBondContact O-N 3.1Å; F250-L273 HydrophobicContact CB-CB 4.3Å; F250-L273 HydrophobicContact CB-CD2 4.15Å; F250-L273 HydrophobicContact CB-CG 4.27Å; F250-L273 HydrophobicContact CD1-CD2 4.4Å; F250-L273 HydrophobicContact CG-CD2 4.48Å; F250-L273 PolarHBondContact N-O 2.99Å; F250-L273 VanDerWaalsContact N-O 3.12Å; F250-T362 HydrophobicContact CD1-CG2 3.97Å; F250-T362 HydrophobicContact CD2-CG2 4.13Å; F250-T362 VanDerWaalsContact CE1-CA 3.45Å; F250-T362 HydrophobicContact CE1-CG2 4.06Å; F250-T362 WeakPolarHBondContact CE1-O 3.43Å; F250-T362 HydrophobicContact CE2-CG2 4.26Å; F250-T362 HydrophobicContact CG-CG2 4.01Å; F250-T362 HydrophobicContact CZ-CG2 4.23Å; F250-P365 HydrophobicContact CD1-CG 4.35Å; F250-P365 HydrophobicContact CE1-CB 3.85Å; F250-P365 HydrophobicContact CE1-CG 3.94Å
251	D	95.9	Very high	94.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.1	174.2	-63.7	-84.4	0	0	0	110.4	P194 A195 Y196 P223 D244	P194-D251 VanDerWaalsContact CB-OD2 3.29Å; P194-D251 WeakPolarHBondContact CB-OD2 3.37Å; A195-D251 HydrophobicContact CB-CB 4.44Å; A195-D251 PolarHBondContact N-OD1 3.4Å; A195-D251 VanDerWaalsContact N-OD1 3.11Å; Y196-D251 PolarHBondContact N-OD1 3.44Å; P223-D251 HydrophobicContact CG-CB 4.3Å; D244-D251 HydrophobicContact CB-CB 4.35Å; D244-D251 PolarHBondContact N-O 3.47Å; D244-D251 PolarHBondContact O-N 3Å
252	I	97.1	Very high	94.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.6	169.9	176.7	61.9	0	0	0	108.6	A241 V242 F250 T267 N268 P365 C366 A369 F403	A241-I252 HydrophobicContact CB-CD1 4.19Å; V242-I252 WeakPolarHBondContact O-CA 3.32Å; V242-I252 VanDerWaalsContact O-CD1 3.28Å; V242-I252 WeakPolarHBondContact O-CD1 3.32Å; F250-I252 HydrophobicContact CE1-CG2 4.47Å; F250-I252 HydrophobicContact CZ-CB 4.2Å; F250-I252 HydrophobicContact CZ-CG2 4.31Å; I252-T267 CarbonylContact O-C 2.88Å; I252-T267 WeakPolarHBondContact O-CA 3.18Å; I252-N268 HydrophobicContact CG2-CB 3.95Å; I252-N268 WeakPolarHBondContact CG2-O 3.49Å; I252-N268 PolarHBondContact N-O 2.87Å; I252-N268 PolarHBondContact O-N 2.94Å; I252-P365 HydrophobicContact CG2-CB 3.91Å; I252-C366 HydrophobicContact CG1-CB 4.22Å; I252-A369 HydrophobicContact CG1-CB 4.08Å; I252-A369 HydrophobicContact CG2-CB 4.04Å; I252-F403 HydrophobicContact CD1-CZ 4.1Å
253	S	97.1	Very high	94.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.1	173.9	-56.6	0	0	0	0	110.8	P223 A241 V242 S266 T267	P223-S253 WeakPolarHBondContact CG-OG 3.27Å; A241-S253 CarbonylContact C-O 3.53Å; A241-S253 WeakPolarHBondContact CA-O 3.4Å; V242-S253 PolarHBondContact N-O 2.9Å; V242-S253 PolarHBondContact O-N 2.77Å; V242-S253 VanDerWaalsContact O-N 3.11Å; S253-S266 WeakPolarHBondContact CA-O 3.34Å; S253-T267 PolarHBondContact OG-OG1 2.68Å
254	V	97.5	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.5	169.1	179.8	0	0	0	0	107	I239 I240 K265 S266 A369 A373 V375 I380	I239-V254 HydrophobicContact CG2-CG1 3.62Å; I240-V254 WeakPolarHBondContact O-CA 3.32Å; V254-K265 HydrophobicContact CG1-CB 4.44Å; V254-K265 PolarHBondContact O-N 3.49Å; V254-S266 PolarHBondContact N-O 3.09Å; V254-S266 PolarHBondContact O-N 3.29Å; V254-A369 HydrophobicContact CG2-CB 4.24Å; V254-A373 HydrophobicContact CB-CB 3.95Å; V254-A373 HydrophobicContact CG1-CB 3.85Å; V254-A373 HydrophobicContact CG2-CB 4.37Å; V254-V375 HydrophobicContact CG1-CG2 4.07Å; V254-I380 HydrophobicContact CG1-CD1 4.05Å
255	L	96.1	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.2	-179.1	-56.8	93.1	0	0	0	110.4	A227 I239 I240 V242 E263 V264	A227-L255 HydrophobicContact CB-CD1 4.27Å; A227-L255 HydrophobicContact CB-CD2 3.67Å; I239-L255 CarbonylContact C-O 3.57Å; I239-L255 VanDerWaalsContact CA-O 3.3Å; I239-L255 WeakPolarHBondContact CA-O 3.48Å; I240-L255 HydrophobicContact CG1-CB 3.97Å; I240-L255 HydrophobicContact CG1-CD1 4.37Å; I240-L255 PolarHBondContact N-O 2.93Å; I240-L255 PolarHBondContact O-N 3.03Å; V242-L255 HydrophobicContact CB-CD1 4.35Å; V242-L255 HydrophobicContact CG2-CD1 3.65Å; L255-E263 CarbonylContact C-O 3.49Å; L255-E263 VanDerWaalsContact CA-O 3.25Å; L255-E263 WeakPolarHBondContact CA-O 3.49Å; L255-V264 HydrophobicContact CD2-CG2 3.73Å; L255-V264 HydrophobicContact CG-CG2 4.16Å
256	E	94.9	Very high	94	Very high	39 Å²	39	23.8 Å²	23.8	18%	0.182	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.4	169.7	-171.6	172.9	-167.1	0	0	109	I239 Q258 E263 K265	I239-E256 HydrophobicContact CG1-CB 4.44Å; I239-E256 HydrophobicContact CG1-CG 4.17Å; E256-Q258 HydrophobicContact CG-CG 4.08Å; E256-Q258 PolarHBondContact OE1-NE2 3.35Å; E256-E263 PolarHBondContact N-O 3.25Å; E256-E263 PolarHBondContact O-N 3.28Å; E256-K265 HydrophobicContact CB-CD 3.84Å; E256-K265 HydrophobicContact CB-CG 4.07Å; E256-K265 VanDerWaalsContact OE2-CE 3.29Å; E256-K265 WeakPolarHBondContact OE2-CE 3.39Å; E256-K265 IonicContact OE2-NZ 2.79Å; E256-K265 PolarHBondContact OE2-NZ 2.72Å
257	I	92.9	Very high	93.8	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	176.7	-56.6	175.3	0	0	0	107.3	Y230 D237 K238 I240 V261 F262	Y230-I257 HydrophobicContact CD1-CD1 3.85Å; Y230-I257 HydrophobicContact CE1-CD1 3.93Å; D237-I257 CarbonylContact C-O 3.55Å; D237-I257 VanDerWaalsContact CA-O 3.22Å; D237-I257 WeakPolarHBondContact CA-O 3.18Å; K238-I257 PolarHBondContact N-O 3.23Å; K238-I257 PolarHBondContact O-N 3.5Å; I240-I257 HydrophobicContact CD1-CD1 3.71Å; I240-I257 HydrophobicContact CD1-CG1 4.45Å; I240-I257 HydrophobicContact CG1-CD1 4.15Å; I240-I257 HydrophobicContact CG2-CD1 4.29Å; I257-V261 CarbonylContact C-O 3.59Å; I257-V261 WeakPolarHBondContact CA-O 3.4Å; I257-F262 HydrophobicContact CD1-CD1 4.11Å; I257-F262 HydrophobicContact CD1-CE1 3.83Å; I257-F262 HydrophobicContact CG1-CD1 3.84Å; I257-F262 HydrophobicContact CG1-CE1 3.98Å; I257-F262 HydrophobicContact CG2-CD1 4.45Å; I257-F262 HydrophobicContact CG2-CE1 4.14Å; I257-F262 HydrophobicContact CG2-CZ 4.31Å
258	Q	90	Very high	93.7	Very high	81 Å²	81	23 Å²	23	38%	0.379	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	107.8	177.1	-65.9	179.6	7.5	0	0	110.5	D237 E256 G260 V261	D237-Q258 HydrophobicContact CB-CG 4.39Å; D237-Q258 WeakPolarHBondContact OD1-CA 3.34Å; E256-Q258 HydrophobicContact CG-CG 4.08Å; E256-Q258 PolarHBondContact OE1-NE2 3.35Å; Q258-G260 VanDerWaalsContact C-N 3.31Å; Q258-G260 PolarHBondContact O-N 3Å; Q258-G260 VanDerWaalsContact O-N 3.12Å; Q258-V261 PolarHBondContact N-O 3.34Å; Q258-V261 WeakPolarHBondContact O-CA 3.35Å; Q258-V261 VanDerWaalsContact O-CB 3.29Å; Q258-V261 WeakPolarHBondContact O-CB 3.48Å; Q258-V261 PolarHBondContact O-N 2.67Å
259	K	85.2	Confident	93.5	Very high	171 Å²	171	23.4 Å²	23.4	74%	0.743	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.8	50.5	174	-60.3	177.6	-177	170.9	0	114.6	V261	K259-V261 VanDerWaalsContact C-N 3.33Å
260	G	83.5	Confident	93.3	Very high	16 Å²	16	25 Å²	25	17%	0.165	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-3.7	-179.6	0	0	0	0	0	115.3	Q258 F262 D434 V435 L436	Q258-G260 VanDerWaalsContact C-N 3.31Å; Q258-G260 PolarHBondContact O-N 3Å; Q258-G260 VanDerWaalsContact O-N 3.12Å; G260-F262 WeakPolarHBondContact O-CD2 3.43Å; G260-D434 WeakPolarHBondContact CA-O 3.31Å; G260-V435 CarbonylContact O-C 3.56Å; G260-V435 VanDerWaalsContact O-CA 3.32Å; G260-V435 WeakPolarHBondContact O-CA 3.26Å; G260-L436 PolarHBondContact O-N 3.36Å
261	V	90.5	Very high	92.7	Very high	44 Å²	44	26.1 Å²	26.1	27%	0.267	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.6	168	-173.4	0	0	0	0	109	I257 Q258 K259 L436 L438	I257-V261 CarbonylContact C-O 3.59Å; I257-V261 WeakPolarHBondContact CA-O 3.4Å; Q258-V261 PolarHBondContact N-O 3.34Å; Q258-V261 WeakPolarHBondContact O-CA 3.35Å; Q258-V261 VanDerWaalsContact O-CB 3.29Å; Q258-V261 WeakPolarHBondContact O-CB 3.48Å; Q258-V261 PolarHBondContact O-N 2.67Å; K259-V261 VanDerWaalsContact C-N 3.33Å; V261-L436 CarbonylContact C-O 3.51Å; V261-L436 WeakPolarHBondContact CA-O 3.42Å; V261-L436 HydrophobicContact CG1-CD2 4.37Å; V261-L436 HydrophobicContact CG2-CB 4.29Å; V261-L436 HydrophobicContact CG2-CD2 4.36Å; V261-L438 HydrophobicContact CG1-CD1 4.11Å; V261-L438 HydrophobicContact CG1-CG 4.5Å
262	F	93.5	Very high	92.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.3	176	-65.9	-103.3	0	0	0	107.6	A227 L228 I257 G260 V435 L436 L437 L438	A227-F262 HydrophobicContact CB-CD1 4.46Å; A227-F262 WeakPolarHBondContact O-CE1 3.42Å; L228-F262 HydrophobicContact CD2-CD1 4.14Å; L228-F262 HydrophobicContact CD2-CD2 3.78Å; L228-F262 HydrophobicContact CD2-CE1 4.25Å; L228-F262 HydrophobicContact CD2-CE2 3.92Å; L228-F262 HydrophobicContact CD2-CG 3.91Å; L228-F262 HydrophobicContact CD2-CZ 4.16Å; I257-F262 HydrophobicContact CD1-CD1 4.11Å; I257-F262 HydrophobicContact CD1-CE1 3.83Å; I257-F262 HydrophobicContact CG1-CD1 3.84Å; I257-F262 HydrophobicContact CG1-CE1 3.98Å; I257-F262 HydrophobicContact CG2-CD1 4.45Å; I257-F262 HydrophobicContact CG2-CE1 4.14Å; I257-F262 HydrophobicContact CG2-CZ 4.31Å; G260-F262 WeakPolarHBondContact O-CD2 3.43Å; F262-V435 HydrophobicContact CD2-CG1 4.01Å; F262-V435 HydrophobicContact CE2-CG1 4Å; F262-L436 PolarHBondContact N-O 2.83Å; F262-L437 HydrophobicContact CB-CD1 3.83Å; F262-L438 PolarHBondContact O-N 2.95Å
263	E	93.7	Very high	92.3	Very high	49 Å²	49	26.5 Å²	26.5	23%	0.229	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.3	-180	-173.8	-173.4	141.1	0	0	109.8	L255 E256 K265 L438	L255-E263 CarbonylContact C-O 3.49Å; L255-E263 VanDerWaalsContact CA-O 3.25Å; L255-E263 WeakPolarHBondContact CA-O 3.49Å; E256-E263 PolarHBondContact N-O 3.25Å; E256-E263 PolarHBondContact O-N 3.28Å; E263-K265 HydrophobicContact CG-CD 4.1Å; E263-K265 PolarHBondContact O-N 3.39Å; E263-K265 WeakPolarHBondContact OE1-CD 3.31Å; E263-K265 IonicContact OE1-NZ 3.3Å; E263-K265 PolarHBondContact OE1-NZ 2.71Å; E263-K265 IonicContact OE2-NZ 3.61Å; E263-L438 HydrophobicContact CB-CB 4.39Å; E263-L438 HydrophobicContact CG-CB 4.26Å; E263-L438 HydrophobicContact CG-CD1 4.43Å
264	V	95.2	Very high	92.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.6	169.9	-174.7	0	0	0	0	107.8	L255 L438 V440	L255-V264 HydrophobicContact CD2-CG2 3.73Å; L255-V264 HydrophobicContact CG-CG2 4.16Å; V264-L438 PolarHBondContact N-O 3.01Å; V264-V440 HydrophobicContact CB-CG1 4.17Å; V264-V440 HydrophobicContact CB-CG2 4.12Å; V264-V440 HydrophobicContact CG1-CG1 4.42Å; V264-V440 HydrophobicContact CG1-CG2 3.63Å; V264-V440 WeakPolarHBondContact O-CG1 3.3Å
265	K	95	Very high	92.3	Very high	57 Å²	57	26.7 Å²	26.7	25%	0.248	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-39	176.9	-50.6	-59.5	-86.4	-164.1	0	110.9	V254 E256 E263 A373	V254-K265 HydrophobicContact CG1-CB 4.44Å; V254-K265 PolarHBondContact O-N 3.49Å; E256-K265 HydrophobicContact CB-CD 3.84Å; E256-K265 HydrophobicContact CB-CG 4.07Å; E256-K265 VanDerWaalsContact OE2-CE 3.29Å; E256-K265 WeakPolarHBondContact OE2-CE 3.39Å; E256-K265 IonicContact OE2-NZ 2.79Å; E256-K265 PolarHBondContact OE2-NZ 2.72Å; E263-K265 HydrophobicContact CG-CD 4.1Å; E263-K265 PolarHBondContact O-N 3.39Å; E263-K265 WeakPolarHBondContact OE1-CD 3.31Å; E263-K265 IonicContact OE1-NZ 3.3Å; E263-K265 PolarHBondContact OE1-NZ 2.71Å; E263-K265 IonicContact OE2-NZ 3.61Å; K265-A373 HydrophobicContact CB-CB 3.68Å
266	S	95.1	Very high	92.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	157	176.5	69.3	0	0	0	0	111.9	S253 V254 A369 A373 N461	S253-S266 WeakPolarHBondContact CA-O 3.34Å; V254-S266 PolarHBondContact N-O 3.09Å; V254-S266 PolarHBondContact O-N 3.29Å; S266-A369 WeakPolarHBondContact CB-O 3.32Å; S266-A369 PolarHBondContact OG-O 3.43Å; S266-A373 WeakPolarHBondContact OG-CB 3.39Å; S266-N461 WeakPolarHBondContact CA-OD1 3.5Å
267	T	93.9	Very high	92.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.8	170	-166.5	0	0	0	0	111.6	A195 I252 S253 V440 P442 N461	A195-T267 VanDerWaalsContact CB-OG1 3.3Å; A195-T267 WeakPolarHBondContact CB-OG1 3.3Å; I252-T267 CarbonylContact O-C 2.88Å; I252-T267 WeakPolarHBondContact O-CA 3.18Å; S253-T267 PolarHBondContact OG-OG1 2.68Å; T267-V440 HydrophobicContact CG2-CG2 4.15Å; T267-P442 HydrophobicContact CG2-CB 3.91Å; T267-N461 PolarHBondContact N-OD1 2.95Å
268	N	92.4	Very high	92.6	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.043	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	169.5	175.2	-144	-85.5	0	0	0	109.4	I252 P365 A369	I252-N268 HydrophobicContact CG2-CB 3.95Å; I252-N268 WeakPolarHBondContact CG2-O 3.49Å; I252-N268 PolarHBondContact N-O 2.87Å; I252-N268 PolarHBondContact O-N 2.94Å; N268-P365 HydrophobicContact CB-CB 4.12Å; N268-P365 WeakPolarHBondContact OD1-CB 3.42Å; N268-A369 HydrophobicContact CB-CB 4.21Å
269	G	91.8	Very high	93	Very high	10 Å²	10	22.7 Å²	22.7	10%	0.103	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-172.1	-179.4	0	0	0	0	0	114.6	F250	F250-G269 CarbonylContact O-C 3.58Å; F250-G269 WeakPolarHBondContact O-CA 3.14Å
270	D	89.7	Confident	93.5	Very high	41 Å²	41	15.4 Å²	15.4	22%	0.219	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	107.7	172.8	-174.2	-23.3	0	0	0	108.1	F250 F272 L273 R361	F250-D270 HydrophobicContact CB-CB 4.45Å; F250-D270 PolarHBondContact N-O 2.99Å; F250-D270 PolarHBondContact O-N 3.1Å; D270-F272 PolarHBondContact O-N 2.87Å; D270-F272 WeakPolarHBondContact OD1-CA 3.24Å; D270-F272 PolarHBondContact OD1-N 3.1Å; D270-L273 HydrophobicContact CB-CB 3.82Å; D270-L273 HydrophobicContact CB-CD2 4.23Å; D270-R361 IonicContact OD1-NH2 3.05Å; D270-R361 IonicContact OD2-CZ 3.31Å; D270-R361 IonicContact OD2-NE 2.76Å; D270-R361 IonicContact OD2-NH2 3.71Å; D270-R361 PolarHBondContact OD2-NH2 3.35Å
271	T	84.6	Confident	94.1	Very high	22 Å²	22	17.1 Å²	17.1	14%	0.135	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	5.6	-178.1	62.9	0	0	0	0	113.5	R126 Y196 F197	R126-T271 PolarHBondContact NH2-O 3.34Å; R126-T271 PolarHBondContact NH2-OG1 2.87Å; Y196-T271 HydrophobicContact CD1-CG2 4.23Å; Y196-T271 WeakPolarHBondContact O-CG2 3.22Å; F197-T271 HydrophobicContact CD1-CG2 4.14Å
272	F	90.1	Very high	94.5	Very high	10 Å²	10	15 Å²	15	4%	0.044	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	43.7	-178.9	-151.9	-104.1	0	0	0	112	R122 E132 K135 D136 D270	R122-F272 HydrophobicContact CB-CD2 4.48Å; R122-F272 HydrophobicContact CB-CE2 4.08Å; R122-F272 VanDerWaalsContact NE-CE2 3.34Å; E132-F272 HydrophobicContact CB-CD1 4Å; E132-F272 HydrophobicContact CB-CD2 3.71Å; E132-F272 HydrophobicContact CB-CE1 3.94Å; E132-F272 HydrophobicContact CB-CE2 3.65Å; E132-F272 HydrophobicContact CB-CG 3.86Å; E132-F272 HydrophobicContact CB-CZ 3.74Å; E132-F272 HydrophobicContact CG-CB 3.92Å; E132-F272 HydrophobicContact CG-CD1 3.82Å; E132-F272 HydrophobicContact CG-CD2 3.93Å; E132-F272 HydrophobicContact CG-CE1 4.25Å; E132-F272 HydrophobicContact CG-CE2 4.35Å; E132-F272 HydrophobicContact CG-CG 3.61Å; E132-F272 HydrophobicContact CG-CZ 4.47Å; E132-F272 WeakPolarHBondContact O-CZ 3.39Å; K135-F272 HydrophobicContact CB-CE1 4.47Å; K135-F272 HydrophobicContact CD-CE1 3.94Å; K135-F272 HydrophobicContact CG-CE1 4.41Å; D136-F272 HydrophobicContact CB-CZ 4.42Å; D136-F272 VanDerWaalsContact OD1-CZ 3.23Å; D136-F272 WeakPolarHBondContact OD1-CZ 3.27Å; D136-F272 VanDerWaalsContact OD2-CE2 3.24Å; D136-F272 WeakPolarHBondContact OD2-CE2 3.31Å; D136-F272 WeakPolarHBondContact OD2-CZ 3.37Å; D270-F272 PolarHBondContact O-N 2.87Å; D270-F272 WeakPolarHBondContact OD1-CA 3.24Å; D270-F272 PolarHBondContact OD1-N 3.1Å
273	L	95.8	Very high	94.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.			trans	-142.6	116.5	175.7	174.8	60.4	0	0	0	109.5	L245 G248 T249 F250 D270 L358 R361 T362	L245-L273 HydrophobicContact CD1-CG 4.49Å; G248-L273 CarbonylContact C-O 3.49Å; G248-L273 CarbonylContact O-C 3.55Å; G248-L273 PolarHBondContact O-N 3.36Å; T249-L273 CarbonylContact C-O 3.56Å; T249-L273 WeakPolarHBondContact CA-O 3.3Å; T249-L273 PolarHBondContact N-O 3.19Å; F250-L273 HydrophobicContact CB-CB 4.3Å; F250-L273 HydrophobicContact CB-CD2 4.15Å; F250-L273 HydrophobicContact CB-CG 4.27Å; F250-L273 HydrophobicContact CD1-CD2 4.4Å; F250-L273 HydrophobicContact CG-CD2 4.48Å; F250-L273 PolarHBondContact N-O 2.99Å; F250-L273 VanDerWaalsContact N-O 3.12Å; D270-L273 HydrophobicContact CB-CB 3.82Å; D270-L273 HydrophobicContact CB-CD2 4.23Å; L273-L358 HydrophobicContact CD1-CB 4.14Å; L273-L358 HydrophobicContact CD1-CD2 4.04Å; L273-R361 HydrophobicContact CD2-CB 3.9Å; L273-T362 HydrophobicContact CD2-CG2 3.77Å
274	G	96.9	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-170.5	-168.9	174.4	0	0	0	0	0	112.8	G246 G247 E276 D277 F278	G246-G274 CarbonylContact O-C 3.53Å; G246-G274 WeakPolarHBondContact O-CA 3.42Å; G247-G274 CarbonylContact O-C 3.57Å; G247-G274 VanDerWaalsContact O-C 3.23Å; G247-G274 WeakPolarHBondContact O-CA 3.34Å; G274-E276 PolarHBondContact O-N 3.08Å; G274-E276 VanDerWaalsContact O-N 3.08Å; G274-D277 PolarHBondContact N-OD2 3.3Å; G274-D277 WeakPolarHBondContact O-CB 3.3Å; G274-D277 PolarHBondContact O-N 3.19Å; G274-F278 WeakPolarHBondContact O-CD2 3.45Å; G274-F278 PolarHBondContact O-N 3.1Å
275	G	97.3	Very high	94.9	Very high	4 Å²	4	20.4 Å²	20.4	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-49.5	-33.1	-178.9	0	0	0	0	0	115.7	G246 G247 D277 F278 D279	G246-G275 PolarHBondContact O-N 3.1Å; G247-G275 PolarHBondContact O-N 2.93Å; G275-D277 VanDerWaalsContact C-N 3.31Å; G275-D277 PolarHBondContact O-N 3.26Å; G275-F278 WeakPolarHBondContact O-CB 3.41Å; G275-F278 PolarHBondContact O-N 3.13Å; G275-F278 VanDerWaalsContact O-N 3.16Å; G275-D279 VanDerWaalsContact O-CG 3.28Å; G275-D279 PolarHBondContact O-N 2.84Å
276	E	95.8	Very high	95	Very high	29 Å²	29	17.7 Å²	17.7	14%	0.136	9%	0.088	C	C	.	.	H	α-helix	trans	-63	-34.8	175	-66.3	-63.5	144	0	0	112.3	T63 A119 G247 G274 F278 Q280	T63-E276 PolarHBondContact OG1-OE1 3.29Å; A119-E276 HydrophobicContact CB-CG 4.11Å; G247-E276 WeakPolarHBondContact O-CB 3.5Å; G247-E276 VanDerWaalsContact O-CG 3.32Å; G247-E276 WeakPolarHBondContact O-CG 3.31Å; G247-E276 PolarHBondContact O-N 3.16Å; G274-E276 PolarHBondContact O-N 3.08Å; G274-E276 VanDerWaalsContact O-N 3.08Å; E276-F278 VanDerWaalsContact C-N 3.34Å; E276-Q280 VanDerWaalsContact O-CB 3.31Å; E276-Q280 WeakPolarHBondContact O-CB 3.42Å; E276-Q280 PolarHBondContact O-N 3.28Å
277	D	97.1	Very high	95	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.027	9%	0.091	C	C	.	.	H	α-helix	trans	-70.3	-34.5	175.7	-66.6	-87.7	0	0	0	111.1	R122 K135 G274 G275 Q280 H281 L358	R122-D277 IonicContact CZ-OD2 3.87Å; R122-D277 IonicContact NH1-OD2 3.49Å; R122-D277 PolarHBondContact NH1-OD2 2.94Å; R122-D277 IonicContact NH2-OD1 2.66Å; R122-D277 PolarHBondContact NH2-OD1 3.16Å; R122-D277 IonicContact NH2-OD2 2.9Å; R122-D277 PolarHBondContact NH2-OD2 3Å; R122-D277 VanDerWaalsContact NH2-OD2 3.09Å; K135-D277 IonicContact NZ-OD1 3.26Å; K135-D277 PolarHBondContact NZ-OD1 3.21Å; G274-D277 PolarHBondContact N-OD2 3.3Å; G274-D277 WeakPolarHBondContact O-CB 3.3Å; G274-D277 PolarHBondContact O-N 3.19Å; G275-D277 VanDerWaalsContact C-N 3.31Å; G275-D277 PolarHBondContact O-N 3.26Å; D277-Q280 PolarHBondContact O-N 3.02Å; D277-H281 PolarHBondContact O-N 3.13Å; D277-H281 PolarHBondContact O-ND1 3.48Å; D277-L358 HydrophobicContact CB-CD1 3.93Å; D277-L358 HydrophobicContact CB-CD2 4.32Å
278	F	98.4	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-45.6	175.2	-72.7	-118.8	0	0	0	110.4	L245 G274 G275 E276 Q280 H281 L282 K316 F351 V355 L358 I359 M389 M392	L245-F278 HydrophobicContact CD2-CZ 4.37Å; G274-F278 WeakPolarHBondContact O-CD2 3.45Å; G274-F278 PolarHBondContact O-N 3.1Å; G275-F278 WeakPolarHBondContact O-CB 3.41Å; G275-F278 PolarHBondContact O-N 3.13Å; G275-F278 VanDerWaalsContact O-N 3.16Å; E276-F278 VanDerWaalsContact C-N 3.34Å; F278-Q280 VanDerWaalsContact C-N 3.3Å; F278-Q280 PolarHBondContact O-N 3.07Å; F278-H281 PolarHBondContact O-N 3.47Å; F278-L282 PolarHBondContact O-N 2.85Å; F278-K316 HydrophobicContact CB-CD 4.09Å; F278-F351 HydrophobicContact CB-CZ 4.43Å; F278-F351 HydrophobicContact CD1-CZ 4.05Å; F278-V355 HydrophobicContact CB-CG1 4.29Å; F278-V355 HydrophobicContact CD1-CB 3.74Å; F278-V355 HydrophobicContact CD1-CG1 3.84Å; F278-V355 HydrophobicContact CD1-CG2 3.72Å; F278-V355 HydrophobicContact CE1-CB 3.95Å; F278-V355 HydrophobicContact CE1-CG2 3.73Å; F278-V355 HydrophobicContact CG-CB 4.44Å; F278-V355 HydrophobicContact CG-CG1 4.26Å; F278-L358 HydrophobicContact CB-CD1 4.49Å; F278-L358 HydrophobicContact CD2-CB 4.37Å; F278-L358 HydrophobicContact CD2-CD1 3.63Å; F278-L358 HydrophobicContact CE2-CB 3.8Å; F278-L358 HydrophobicContact CE2-CD1 3.93Å; F278-L358 HydrophobicContact CG-CD1 3.98Å; F278-L358 HydrophobicContact CZ-CB 3.91Å; F278-I359 HydrophobicContact CE1-CD1 4.33Å; F278-I359 HydrophobicContact CE1-CG1 3.86Å; F278-I359 HydrophobicContact CZ-CG1 3.89Å; F278-M389 HydrophobicContact CB-SD 4.18Å; F278-M389 HydrophobicContact CD1-CE 4.24Å; F278-M389 HydrophobicContact CD1-SD 3.97Å; F278-M389 HydrophobicContact CD2-CG 4.3Å; F278-M389 HydrophobicContact CD2-SD 4.22Å; F278-M389 HydrophobicContact CE1-CG 4.46Å; F278-M389 HydrophobicContact CE1-SD 4.42Å; F278-M389 HydrophobicContact CE2-CG 4.21Å; F278-M389 HydrophobicContact CG-CG 4.48Å; F278-M389 HydrophobicContact CG-SD 3.88Å; F278-M389 HydrophobicContact CZ-CG 4.3Å; F278-M392 HydrophobicContact CD1-SD 4.21Å; F278-M392 HydrophobicContact CE1-SD 3.85Å
279	D	97.3	Very high	95.3	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-42.5	175.1	-66.1	-28.5	0	0	0	110.9	G275 H281 L282 L283 E313 K316	G275-D279 VanDerWaalsContact O-CG 3.28Å; G275-D279 PolarHBondContact O-N 2.84Å; D279-H281 PolarHBondContact O-N 3Å; D279-L282 PolarHBondContact O-N 3.16Å; D279-L283 VanDerWaalsContact O-CB 3.24Å; D279-L283 WeakPolarHBondContact O-CB 3.49Å; D279-L283 PolarHBondContact O-N 3.37Å; D279-E313 WeakPolarHBondContact OD1-CA 3.08Å; D279-K316 WeakPolarHBondContact OD1-CD 3.13Å; D279-K316 WeakPolarHBondContact OD1-CE 3.4Å; D279-K316 IonicContact OD1-NZ 3.35Å; D279-K316 PolarHBondContact OD1-NZ 3.47Å; D279-K316 IonicContact OD2-NZ 2.73Å; D279-K316 PolarHBondContact OD2-NZ 3.44Å
280	Q	95.6	Very high	95.5	Very high	17 Å²	17	26 Å²	26	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-36.4	179	-172.4	61.5	13.4	0	0	113	N139 E276 D277 F278 K284	N139-Q280 PolarHBondContact OD1-NE2 3.2Å; E276-Q280 VanDerWaalsContact O-CB 3.31Å; E276-Q280 WeakPolarHBondContact O-CB 3.42Å; E276-Q280 PolarHBondContact O-N 3.28Å; D277-Q280 PolarHBondContact O-N 3.02Å; F278-Q280 VanDerWaalsContact C-N 3.3Å; F278-Q280 PolarHBondContact O-N 3.07Å; Q280-K284 WeakPolarHBondContact O-CB 3.48Å; Q280-K284 VanDerWaalsContact O-CG 3.27Å; Q280-K284 WeakPolarHBondContact O-CG 3.44Å; Q280-K284 PolarHBondContact O-N 2.91Å
281	H	97.4	Very high	95.8	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.241	13%	0.132	C	C	.	.	H	α-helix	trans	-67.2	-43.1	175.1	-80.5	65.1	0	0	0	111.2	D277 F278 D279 K284 H285 I354 V355	D277-H281 PolarHBondContact O-N 3.13Å; D277-H281 PolarHBondContact O-ND1 3.48Å; F278-H281 PolarHBondContact O-N 3.47Å; D279-H281 PolarHBondContact O-N 3Å; H281-K284 PolarHBondContact O-N 3.27Å; H281-H285 PolarHBondContact O-N 3.47Å; H281-I354 HydrophobicContact CB-CG2 3.91Å; H281-V355 HydrophobicContact CB-CG1 4.18Å
282	L	97.9	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-42.8	177.1	-178.6	54.1	0	0	0	111.9	F278 D279 K284 H285 I286 A312 A315 K316 L346 F351 I354	F278-L282 PolarHBondContact O-N 2.85Å; D279-L282 PolarHBondContact O-N 3.16Å; L282-K284 PolarHBondContact O-N 2.88Å; L282-H285 WeakPolarHBondContact O-CB 3.41Å; L282-H285 PolarHBondContact O-N 3.41Å; L282-H285 VanDerWaalsContact O-N 3.15Å; L282-I286 HydrophobicContact CD1-CD1 4.04Å; L282-I286 HydrophobicContact CD1-CG1 4.13Å; L282-I286 HydrophobicContact CG-CD1 3.83Å; L282-I286 HydrophobicContact CG-CG1 4.41Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.44Å; L282-I286 PolarHBondContact O-N 2.67Å; L282-A312 HydrophobicContact CB-CB 4.42Å; L282-A312 HydrophobicContact CD2-CB 4.16Å; L282-A312 WeakPolarHBondContact CD2-O 3.41Å; L282-A312 HydrophobicContact CG-CB 4.06Å; L282-A315 HydrophobicContact CD2-CB 4.31Å; L282-K316 HydrophobicContact CD2-CB 4.42Å; L282-L346 HydrophobicContact CD1-CD1 4.46Å; L282-L346 HydrophobicContact CD1-CD2 3.54Å; L282-L346 HydrophobicContact CD2-CD2 4.02Å; L282-L346 HydrophobicContact CG-CD2 4.43Å; L282-F351 HydrophobicContact CB-CD2 4.49Å; L282-F351 HydrophobicContact CB-CE2 4.27Å; L282-F351 HydrophobicContact CD1-CD2 4.42Å; L282-F351 HydrophobicContact CD2-CD2 4.11Å; L282-F351 HydrophobicContact CD2-CE2 4.17Å; L282-I354 HydrophobicContact CD1-CD1 4.22Å
283	L	96.6	Very high	96.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-55.5	-49.2	174	175.6	60.8	0	0	0	111.4	D279 H285 I286 V287 L305 V308 R309	D279-L283 VanDerWaalsContact O-CB 3.24Å; D279-L283 WeakPolarHBondContact O-CB 3.49Å; D279-L283 PolarHBondContact O-N 3.37Å; L283-H285 VanDerWaalsContact C-N 3.3Å; L283-H285 PolarHBondContact O-N 2.98Å; L283-I286 PolarHBondContact O-N 2.66Å; L283-V287 HydrophobicContact CD1-CG2 3.98Å; L283-V287 HydrophobicContact CG-CG2 4.45Å; L283-V287 WeakPolarHBondContact O-CB 3.28Å; L283-V287 WeakPolarHBondContact O-CG2 3.31Å; L283-V287 PolarHBondContact O-N 3.16Å; L283-L305 HydrophobicContact CD1-CD1 3.95Å; L283-L305 HydrophobicContact CD2-CD1 4.29Å; L283-L305 HydrophobicContact CG-CD1 4.38Å; L283-V308 HydrophobicContact CD1-CB 3.74Å; L283-V308 HydrophobicContact CD1-CG1 3.39Å; L283-R309 HydrophobicContact CD2-CB 4.36Å
284	K	96	Very high	96.2	Very high	109 Å²	109	41.7 Å²	41.7	47%	0.474	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-40.2	177.5	-76.4	173.7	-178.5	175.7	0	112.1	Q280 H281 L282 K288	Q280-K284 WeakPolarHBondContact O-CB 3.48Å; Q280-K284 VanDerWaalsContact O-CG 3.27Å; Q280-K284 WeakPolarHBondContact O-CG 3.44Å; Q280-K284 PolarHBondContact O-N 2.91Å; H281-K284 PolarHBondContact O-N 3.27Å; L282-K284 PolarHBondContact O-N 2.88Å; K284-K288 VanDerWaalsContact O-CB 3.23Å; K284-K288 WeakPolarHBondContact O-CB 3.41Å; K284-K288 PolarHBondContact O-N 3.2Å
285	H	97.3	Very high	95.9	Very high	52 Å²	52	44.5 Å²	44.5	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-50.2	174.7	179.9	76.2	0	0	0	111.1	H281 L282 L283 V287 K288 E289 I354	H281-H285 PolarHBondContact O-N 3.47Å; L282-H285 WeakPolarHBondContact O-CB 3.41Å; L282-H285 PolarHBondContact O-N 3.41Å; L282-H285 VanDerWaalsContact O-N 3.15Å; L283-H285 VanDerWaalsContact C-N 3.3Å; L283-H285 PolarHBondContact O-N 2.98Å; H285-V287 PolarHBondContact O-N 2.73Å; H285-K288 PolarHBondContact O-N 3.16Å; H285-E289 WeakPolarHBondContact O-CG 3.49Å; H285-E289 PolarHBondContact O-N 3.24Å; H285-I354 HydrophobicContact CB-CD1 3.97Å; H285-I354 HydrophobicContact CB-CG1 4.46Å; H285-I354 HydrophobicContact CB-CG2 4.45Å; H285-I354 VanDerWaalsContact CD2-CD1 3.49Å; H285-I354 WeakPolarHBondContact CD2-CD1 3.42Å; H285-I354 VanDerWaalsContact CG-CD1 3.5Å
286	I	97.4	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-46.7	-179.6	-64.4	160.6	0	0	0	111.3	L282 L283 K288 E289 F290 V308 A312 I327 L342 M344	L282-I286 HydrophobicContact CD1-CD1 4.04Å; L282-I286 HydrophobicContact CD1-CG1 4.13Å; L282-I286 HydrophobicContact CG-CD1 3.83Å; L282-I286 HydrophobicContact CG-CG1 4.41Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.44Å; L282-I286 PolarHBondContact O-N 2.67Å; L283-I286 PolarHBondContact O-N 2.66Å; I286-K288 VanDerWaalsContact C-N 3.33Å; I286-K288 PolarHBondContact O-N 3.23Å; I286-E289 PolarHBondContact O-N 3.17Å; I286-F290 WeakPolarHBondContact O-CB 3.46Å; I286-F290 PolarHBondContact O-N 2.83Å; I286-V308 HydrophobicContact CB-CG1 3.96Å; I286-V308 HydrophobicContact CD1-CG1 4.22Å; I286-V308 HydrophobicContact CG2-CG1 3.49Å; I286-V308 VanDerWaalsContact CG2-CG1 3.49Å; I286-A312 HydrophobicContact CD1-CB 3.84Å; I286-I327 HydrophobicContact CD1-CD1 3.54Å; I286-I327 HydrophobicContact CG1-CD1 4.03Å; I286-L342 HydrophobicContact CG2-CD1 4.11Å; I286-L342 HydrophobicContact CG2-CD2 3.5Å; I286-L342 HydrophobicContact CG2-CG 4.47Å; I286-M344 HydrophobicContact CG1-SD 3.95Å; I286-M344 HydrophobicContact CG2-CE 4.36Å; I286-M344 HydrophobicContact CG2-SD 4.49Å
287	V	96.1	Very high	95.4	Very high	10 Å²	10	46.6 Å²	46.6	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-41.2	178.5	170.6	0	0	0	0	111.2	L283 H285 K291 L298 M299 L305	L283-V287 HydrophobicContact CD1-CG2 3.98Å; L283-V287 HydrophobicContact CG-CG2 4.45Å; L283-V287 WeakPolarHBondContact O-CB 3.28Å; L283-V287 WeakPolarHBondContact O-CG2 3.31Å; L283-V287 PolarHBondContact O-N 3.16Å; H285-V287 PolarHBondContact O-N 2.73Å; V287-K291 WeakPolarHBondContact O-CB 3.37Å; V287-K291 PolarHBondContact O-N 3.33Å; V287-L298 HydrophobicContact CG1-CB 4.38Å; V287-L298 HydrophobicContact CG2-CB 4.46Å; V287-L298 HydrophobicContact CG2-CD1 4.49Å; V287-M299 HydrophobicContact CG1-CG 4.15Å; V287-M299 HydrophobicContact CG1-SD 4.14Å; V287-L305 HydrophobicContact CG2-CD1 3.81Å
288	K	96.6	Very high	95.1	Very high	145 Å²	145	46.4 Å²	46.4	63%	0.63	23%	0.228	S	C	*	.	H	α-helix	trans	-63.2	-47.1	177.7	-178.7	-174.4	175.9	-171.6	0	111.6	K284 H285 I286 K291 R292	K284-K288 VanDerWaalsContact O-CB 3.23Å; K284-K288 WeakPolarHBondContact O-CB 3.41Å; K284-K288 PolarHBondContact O-N 3.2Å; H285-K288 PolarHBondContact O-N 3.16Å; I286-K288 VanDerWaalsContact C-N 3.33Å; I286-K288 PolarHBondContact O-N 3.23Å; K288-K291 PolarHBondContact O-N 3.24Å; K288-R292 PolarHBondContact O-N 3.22Å
289	E	96.2	Very high	94.5	Very high	36 Å²	36	51.3 Å²	51.3	17%	0.168	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-41.8	179	-69.1	-53.6	126.7	0	0	111.7	H285 I286 K291 R292 E293 M344	H285-E289 WeakPolarHBondContact O-CG 3.49Å; H285-E289 PolarHBondContact O-N 3.24Å; I286-E289 PolarHBondContact O-N 3.17Å; E289-K291 VanDerWaalsContact C-N 3.31Å; E289-K291 PolarHBondContact O-N 3.03Å; E289-R292 WeakPolarHBondContact O-CB 3.35Å; E289-R292 PolarHBondContact O-N 3.26Å; E289-R292 VanDerWaalsContact O-N 3.09Å; E289-R292 IonicContact OE1-NE 3.98Å; E289-R292 IonicContact OE2-CZ 3.16Å; E289-R292 IonicContact OE2-NE 2.76Å; E289-R292 PolarHBondContact OE2-NE 3.12Å; E289-R292 IonicContact OE2-NH2 2.73Å; E289-R292 PolarHBondContact OE2-NH2 3.47Å; E289-E293 WeakPolarHBondContact O-CG 3.41Å; E289-E293 PolarHBondContact O-N 3.04Å; E289-M344 HydrophobicContact CB-CE 3.35Å; E289-M344 HydrophobicContact CG-CE 4.01Å
290	F	96.1	Very high	93.9	Very high	5 Å²	5	59.6 Å²	59.6	2%	0.022	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-42	174.4	-176.8	-96.6	0	0	0	111.9	I286 R292 E293 S294 V296 L298 L332 T333 K340 L342	I286-F290 WeakPolarHBondContact O-CB 3.46Å; I286-F290 PolarHBondContact O-N 2.83Å; F290-R292 VanDerWaalsContact C-N 3.34Å; F290-E293 PolarHBondContact O-N 2.86Å; F290-S294 WeakPolarHBondContact CD1-OG 3.37Å; F290-S294 WeakPolarHBondContact CE1-OG 3.24Å; F290-S294 WeakPolarHBondContact O-CB 3.4Å; F290-S294 PolarHBondContact O-N 2.87Å; F290-S294 PolarHBondContact O-OG 3.22Å; F290-V296 HydrophobicContact CE1-CB 4Å; F290-V296 HydrophobicContact CE1-CG1 4.41Å; F290-L298 HydrophobicContact CB-CD1 4.29Å; F290-L298 HydrophobicContact CD1-CD1 3.48Å; F290-L298 VanDerWaalsContact CD1-CD1 3.48Å; F290-L298 HydrophobicContact CD1-CD2 3.99Å; F290-L298 HydrophobicContact CD1-CG 3.52Å; F290-L298 HydrophobicContact CE1-CD1 3.89Å; F290-L298 HydrophobicContact CE1-CD2 3.57Å; F290-L298 HydrophobicContact CE1-CG 3.67Å; F290-L298 HydrophobicContact CG-CD1 3.9Å; F290-L298 HydrophobicContact CG-CG 4.42Å; F290-L298 HydrophobicContact CZ-CD2 4.32Å; F290-L332 HydrophobicContact CD2-CD2 4.45Å; F290-L332 HydrophobicContact CE2-CD2 4.18Å; F290-L332 HydrophobicContact CZ-CD2 4.34Å; F290-T333 HydrophobicContact CE1-CG2 4.06Å; F290-T333 HydrophobicContact CZ-CG2 3.97Å; F290-K340 HydrophobicContact CE2-CB 4.47Å; F290-K340 HydrophobicContact CZ-CB 3.88Å; F290-L342 HydrophobicContact CB-CD1 4.25Å; F290-L342 HydrophobicContact CD2-CB 4.09Å; F290-L342 HydrophobicContact CD2-CD1 3.81Å; F290-L342 HydrophobicContact CE2-CB 4.27Å; F290-L342 HydrophobicContact CG-CD1 4.48Å
291	K	95	Very high	93.6	Very high	95 Å²	95	61 Å²	61	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-37.5	174.8	-174.4	172.8	-177.4	171.7	0	111.9	V287 K288 E289 E293 G295 V296 D297	V287-K291 WeakPolarHBondContact O-CB 3.37Å; V287-K291 PolarHBondContact O-N 3.33Å; K288-K291 PolarHBondContact O-N 3.24Å; E289-K291 VanDerWaalsContact C-N 3.31Å; E289-K291 PolarHBondContact O-N 3.03Å; K291-E293 VanDerWaalsContact C-N 3.32Å; K291-E293 PolarHBondContact O-N 3.31Å; K291-G295 WeakPolarHBondContact O-CA 3.49Å; K291-G295 PolarHBondContact O-N 3.07Å; K291-V296 WeakPolarHBondContact CA-O 3.28Å; K291-V296 WeakPolarHBondContact CB-O 3.43Å; K291-D297 HydrophobicContact CD-CB 4.24Å; K291-D297 IonicContact NZ-OD2 2.77Å; K291-D297 PolarHBondContact NZ-OD2 2.69Å
292	R	95.4	Very high	93.1	Very high	159 Å²	159	61.9 Å²	61.9	60%	0.6	30%	0.302	S	S	*	.	H	α-helix	trans	-62.1	-39.6	175.3	-175.7	-176.7	63.5	69.2	6.5	111.7	K288 E289 F290	K288-R292 PolarHBondContact O-N 3.22Å; E289-R292 WeakPolarHBondContact O-CB 3.35Å; E289-R292 PolarHBondContact O-N 3.26Å; E289-R292 VanDerWaalsContact O-N 3.09Å; E289-R292 IonicContact OE1-NE 3.98Å; E289-R292 IonicContact OE2-CZ 3.16Å; E289-R292 IonicContact OE2-NE 2.76Å; E289-R292 PolarHBondContact OE2-NE 3.12Å; E289-R292 IonicContact OE2-NH2 2.73Å; E289-R292 PolarHBondContact OE2-NH2 3.47Å; F290-R292 VanDerWaalsContact C-N 3.34Å
293	E	92.6	Very high	92.6	Very high	119 Å²	119	66.7 Å²	66.7	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-87.5	-40.9	-175	-69.1	179.5	175.9	0	0	113.5	E289 F290 K291	E289-E293 WeakPolarHBondContact O-CG 3.41Å; E289-E293 PolarHBondContact O-N 3.04Å; F290-E293 PolarHBondContact O-N 2.86Å; K291-E293 VanDerWaalsContact C-N 3.32Å; K291-E293 PolarHBondContact O-N 3.31Å
294	S	91.3	Very high	92.4	Very high	28 Å²	28	66.5 Å²	66.5	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-99	-18.1	-175.2	71	0	0	0	0	114	F290 V296	F290-S294 WeakPolarHBondContact CD1-OG 3.37Å; F290-S294 WeakPolarHBondContact CE1-OG 3.24Å; F290-S294 WeakPolarHBondContact O-CB 3.4Å; F290-S294 PolarHBondContact O-N 2.87Å; F290-S294 PolarHBondContact O-OG 3.22Å; S294-V296 PolarHBondContact O-N 2.93Å; S294-V296 PolarHBondContact OG-N 3.11Å; S294-V296 VanDerWaalsContact OG-N 3.15Å
295	G	91.1	Very high	92.3	Very high	60 Å²	60	62.5 Å²	62.5	62%	0.619	31%	0.309	S	S	*	.			trans	75.2	-5.2	-169.7	0	0	0	0	0	114.6	K291	K291-G295 WeakPolarHBondContact O-CA 3.49Å; K291-G295 PolarHBondContact O-N 3.07Å
296	V	91.2	Very high	92.1	Very high	27 Å²	27	60.7 Å²	60.7	16%	0.164	30%	0.3	C	S	.	.			trans	-91.8	135.4	-174.7	-178.7	0	0	0	0	111.4	F290 K291 S294 T333 D335	F290-V296 HydrophobicContact CE1-CB 4Å; F290-V296 HydrophobicContact CE1-CG1 4.41Å; K291-V296 WeakPolarHBondContact CA-O 3.28Å; K291-V296 WeakPolarHBondContact CB-O 3.43Å; S294-V296 PolarHBondContact O-N 2.93Å; S294-V296 PolarHBondContact OG-N 3.11Å; S294-V296 VanDerWaalsContact OG-N 3.15Å; V296-T333 HydrophobicContact CG1-CG2 3.86Å; V296-D335 HydrophobicContact CG2-CB 4.08Å
297	D	90.6	Very high	92	Very high	50 Å²	50	63.4 Å²	63.4	27%	0.267	31%	0.311	S	S	.	.			trans	-96.2	102.8	177.7	-164.2	-20.1	0	0	0	111.7	K291 M299	K291-D297 HydrophobicContact CD-CB 4.24Å; K291-D297 IonicContact NZ-OD2 2.77Å; K291-D297 PolarHBondContact NZ-OD2 2.69Å; D297-M299 PolarHBondContact O-N 3.04Å; D297-M299 VanDerWaalsContact OD1-CB 3.3Å; D297-M299 WeakPolarHBondContact OD1-CB 3.31Å; D297-M299 WeakPolarHBondContact OD1-CG 3.49Å; D297-M299 PolarHBondContact OD1-N 3.06Å; D297-M299 VanDerWaalsContact OD1-N 3.1Å
298	L	90.4	Very high	92	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-68.5	-13.7	-179	-64.8	178.3	0	0	0	113.9	V287 F290 K300 D301 A304 V308 L332 T333	V287-L298 HydrophobicContact CG1-CB 4.38Å; V287-L298 HydrophobicContact CG2-CB 4.46Å; V287-L298 HydrophobicContact CG2-CD1 4.49Å; F290-L298 HydrophobicContact CB-CD1 4.29Å; F290-L298 HydrophobicContact CD1-CD1 3.48Å; F290-L298 VanDerWaalsContact CD1-CD1 3.48Å; F290-L298 HydrophobicContact CD1-CD2 3.99Å; F290-L298 HydrophobicContact CD1-CG 3.52Å; F290-L298 HydrophobicContact CE1-CD1 3.89Å; F290-L298 HydrophobicContact CE1-CD2 3.57Å; F290-L298 HydrophobicContact CE1-CG 3.67Å; F290-L298 HydrophobicContact CG-CD1 3.9Å; F290-L298 HydrophobicContact CG-CG 4.42Å; F290-L298 HydrophobicContact CZ-CD2 4.32Å; L298-K300 PolarHBondContact O-N 3.37Å; L298-D301 PolarHBondContact O-N 3.16Å; L298-A304 HydrophobicContact CD2-CB 3.98Å; L298-V308 HydrophobicContact CD1-CG2 3.96Å; L298-L332 HydrophobicContact CD1-CD2 3.73Å; L298-L332 HydrophobicContact CD1-CG 4.5Å; L298-L332 HydrophobicContact CD2-CD2 4.33Å; L298-L332 HydrophobicContact CD2-CG 4.34Å; L298-T333 HydrophobicContact CD2-CG2 3.73Å
299	M	85.9	Confident	91.9	Very high	103 Å²	103	57.2 Å²	57.2	51%	0.507	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-64.5	-15.3	-179.4	-62.6	-62.4	-64.5	0	0	112.9	V287 D297 L305	V287-M299 HydrophobicContact CG1-CG 4.15Å; V287-M299 HydrophobicContact CG1-SD 4.14Å; D297-M299 PolarHBondContact O-N 3.04Å; D297-M299 VanDerWaalsContact OD1-CB 3.3Å; D297-M299 WeakPolarHBondContact OD1-CB 3.31Å; D297-M299 WeakPolarHBondContact OD1-CG 3.49Å; D297-M299 PolarHBondContact OD1-N 3.06Å; D297-M299 VanDerWaalsContact OD1-N 3.1Å; M299-L305 HydrophobicContact SD-CD1 4.07Å; M299-L305 HydrophobicContact SD-CD2 4.37Å
300	K	84.6	Confident	91.8	Very high	181 Å²	181	58.5 Å²	58.5	79%	0.787	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-91.9	-12	177.6	-61.1	-177.9	-179	179.8	0	113.4	L298	L298-K300 PolarHBondContact O-N 3.37Å
301	D	88.9	Confident	91.9	Very high	46 Å²	46	59 Å²	59	25%	0.246	29%	0.294	C	S	.	.			trans	-112.7	95.3	-176.4	-174.5	-20.5	0	0	0	109.6	L298 M303 A304 L305 T333	L298-D301 PolarHBondContact O-N 3.16Å; D301-M303 VanDerWaalsContact C-N 3.26Å; D301-M303 PolarHBondContact O-N 2.98Å; D301-M303 PolarHBondContact OD1-N 3.43Å; D301-A304 HydrophobicContact CB-CB 3.86Å; D301-A304 PolarHBondContact O-N 2.94Å; D301-A304 PolarHBondContact OD1-N 2.8Å; D301-A304 WeakPolarHBondContact OD2-CB 3.29Å; D301-L305 VanDerWaalsContact O-CB 3.31Å; D301-L305 WeakPolarHBondContact O-CB 3.37Å; D301-L305 PolarHBondContact O-N 3.21Å; D301-T333 PolarHBondContact OD2-OG1 2.98Å; D301-T333 VanDerWaalsContact OD2-OG1 3.11Å
302	N	86.7	Confident	92	Very high	71 Å²	71	54.5 Å²	54.5	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-34.9	-175.3	-67.5	-39.5	0	0	0	112.9	Q306	N302-Q306 WeakPolarHBondContact O-CB 3.43Å; N302-Q306 PolarHBondContact O-N 2.96Å
303	M	89.1	Confident	92.1	Very high	101 Å²	101	49 Å²	49	50%	0.498	26%	0.255	S	S	.	.	H	α-helix	trans	-73.2	-45.2	-178.8	-173	177.6	67.4	0	0	110.1	V110 D301 Q306 R307	V110-M303 HydrophobicContact CG1-CG 4.34Å; D301-M303 VanDerWaalsContact C-N 3.26Å; D301-M303 PolarHBondContact O-N 2.98Å; D301-M303 PolarHBondContact OD1-N 3.43Å; M303-Q306 PolarHBondContact O-N 3Å; M303-R307 WeakPolarHBondContact O-CG 3.49Å; M303-R307 PolarHBondContact O-N 3.19Å; M303-R307 VanDerWaalsContact O-N 3.12Å
304	A	92.7	Very high	92.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-45.7	174.2	0	0	0	0	0	111.3	L298 D301 Q306 R307 V308 L332	L298-A304 HydrophobicContact CD2-CB 3.98Å; D301-A304 HydrophobicContact CB-CB 3.86Å; D301-A304 PolarHBondContact O-N 2.94Å; D301-A304 PolarHBondContact OD1-N 2.8Å; D301-A304 WeakPolarHBondContact OD2-CB 3.29Å; A304-Q306 VanDerWaalsContact C-N 3.32Å; A304-Q306 PolarHBondContact O-N 3.33Å; A304-R307 WeakPolarHBondContact O-CB 3.49Å; A304-R307 PolarHBondContact O-N 2.85Å; A304-R307 VanDerWaalsContact O-N 3.15Å; A304-V308 WeakPolarHBondContact O-CG2 3.32Å; A304-V308 PolarHBondContact O-N 2.93Å; A304-L332 HydrophobicContact CB-CD1 3.89Å; A304-L332 HydrophobicContact CB-CG 4.17Å; A304-L332 VanDerWaalsContact CB-O 3.28Å; A304-L332 WeakPolarHBondContact CB-O 3.44Å
305	L	92.8	Very high	92.7	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.131	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-39.4	179.9	-170.1	67.6	0	0	0	112.3	L283 V287 M299 D301 V308 R309	L283-L305 HydrophobicContact CD1-CD1 3.95Å; L283-L305 HydrophobicContact CD2-CD1 4.29Å; L283-L305 HydrophobicContact CG-CD1 4.38Å; V287-L305 HydrophobicContact CG2-CD1 3.81Å; M299-L305 HydrophobicContact SD-CD1 4.07Å; M299-L305 HydrophobicContact SD-CD2 4.37Å; D301-L305 VanDerWaalsContact O-CB 3.31Å; D301-L305 WeakPolarHBondContact O-CB 3.37Å; D301-L305 PolarHBondContact O-N 3.21Å; L305-V308 PolarHBondContact O-N 2.9Å; L305-R309 PolarHBondContact O-N 3.47Å
306	Q	93.1	Very high	93	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-40.9	175.4	-176.5	59.1	33.2	0	0	111.9	P113 N302 M303 A304 V308 R309 E310	P113-Q306 HydrophobicContact CB-CB 4.28Å; P113-Q306 HydrophobicContact CB-CG 4.21Å; N302-Q306 WeakPolarHBondContact O-CB 3.43Å; N302-Q306 PolarHBondContact O-N 2.96Å; M303-Q306 PolarHBondContact O-N 3Å; A304-Q306 VanDerWaalsContact C-N 3.32Å; A304-Q306 PolarHBondContact O-N 3.33Å; Q306-V308 VanDerWaalsContact C-N 3.34Å; Q306-V308 PolarHBondContact O-N 3.49Å; Q306-R309 WeakPolarHBondContact O-CB 3.22Å; Q306-R309 PolarHBondContact O-N 3.47Å; Q306-E310 PolarHBondContact NE2-OE1 3.13Å; Q306-E310 PolarHBondContact O-N 3.04Å; Q306-E310 VanDerWaalsContact O-N 3.1Å
307	R	95.3	Very high	93.3	Very high	58 Å²	58	48.4 Å²	48.4	22%	0.219	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-40.5	174	-67.9	175.8	65.9	-160.9	-1.3	112.2	V110 M303 A304 R309 E310 A311 L329 P330 Y331 L332	V110-R307 HydrophobicContact CG1-CG 3.53Å; V110-R307 HydrophobicContact CG2-CG 4.37Å; M303-R307 WeakPolarHBondContact O-CG 3.49Å; M303-R307 PolarHBondContact O-N 3.19Å; M303-R307 VanDerWaalsContact O-N 3.12Å; A304-R307 WeakPolarHBondContact O-CB 3.49Å; A304-R307 PolarHBondContact O-N 2.85Å; A304-R307 VanDerWaalsContact O-N 3.15Å; R307-R309 VanDerWaalsContact C-N 3.32Å; R307-E310 PolarHBondContact O-N 3.18Å; R307-A311 WeakPolarHBondContact O-CB 3.45Å; R307-A311 PolarHBondContact O-N 2.9Å; R307-L329 HydrophobicContact CB-CD1 4.31Å; R307-P330 PolarHBondContact NH1-O 3.12Å; R307-P330 PolarHBondContact NH2-O 2.91Å; R307-Y331 PolarHBondContact NH1-O 3.26Å; R307-L332 HydrophobicContact CB-CD1 4.2Å
308	V	96.2	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-37.6	175.7	-176	0	0	0	0	111.1	L283 I286 L298 A304 L305 Q306 A311 A312 L329 L332	L283-V308 HydrophobicContact CD1-CB 3.74Å; L283-V308 HydrophobicContact CD1-CG1 3.39Å; I286-V308 HydrophobicContact CB-CG1 3.96Å; I286-V308 HydrophobicContact CD1-CG1 4.22Å; I286-V308 HydrophobicContact CG2-CG1 3.49Å; I286-V308 VanDerWaalsContact CG2-CG1 3.49Å; L298-V308 HydrophobicContact CD1-CG2 3.96Å; A304-V308 WeakPolarHBondContact O-CG2 3.32Å; A304-V308 PolarHBondContact O-N 2.93Å; L305-V308 PolarHBondContact O-N 2.9Å; Q306-V308 VanDerWaalsContact C-N 3.34Å; Q306-V308 PolarHBondContact O-N 3.49Å; V308-A311 PolarHBondContact O-N 2.89Å; V308-A312 WeakPolarHBondContact O-CB 3.08Å; V308-A312 PolarHBondContact O-N 2.9Å; V308-L329 HydrophobicContact CB-CD1 4.48Å; V308-L329 HydrophobicContact CG2-CD1 3.96Å; V308-L332 HydrophobicContact CG2-CD1 3.99Å; V308-L332 HydrophobicContact CG2-CD2 3.81Å; V308-L332 HydrophobicContact CG2-CG 4.5Å
309	R	94.9	Very high	94	Very high	25 Å²	25	49.1 Å²	49.1	9%	0.094	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-48.7	176.5	-177.9	-178.8	-62.5	-100.6	-5.9	112.1	Y118 N139 L283 L305 Q306 R307 A311 A312 E313	Y118-R309 WeakPolarHBondContact OH-CD 3.3Å; Y118-R309 PolarHBondContact OH-NE 3.23Å; N139-R309 PolarHBondContact O-NH2 3.26Å; L283-R309 HydrophobicContact CD2-CB 4.36Å; L305-R309 PolarHBondContact O-N 3.47Å; Q306-R309 WeakPolarHBondContact O-CB 3.22Å; Q306-R309 PolarHBondContact O-N 3.47Å; R307-R309 VanDerWaalsContact C-N 3.32Å; R309-A311 VanDerWaalsContact C-N 3.3Å; R309-A311 PolarHBondContact O-N 2.92Å; R309-A312 WeakPolarHBondContact O-CB 3.03Å; R309-A312 PolarHBondContact O-N 3.49Å; R309-E313 PolarHBondContact O-N 2.93Å
310	E	94.9	Very high	94.6	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.29	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-39.5	177.5	-72.4	174.4	-161.5	0	0	111.7	V110 Q306 R307 A312 E313 K314	V110-E310 VanDerWaalsContact CG2-CD 3.42Å; V110-E310 WeakPolarHBondContact CG2-OE1 3.35Å; V110-E310 WeakPolarHBondContact CG2-OE2 3.34Å; Q306-E310 PolarHBondContact NE2-OE1 3.13Å; Q306-E310 PolarHBondContact O-N 3.04Å; Q306-E310 VanDerWaalsContact O-N 3.1Å; R307-E310 PolarHBondContact O-N 3.18Å; E310-A312 VanDerWaalsContact C-N 3.33Å; E310-A312 PolarHBondContact O-N 3.32Å; E310-E313 PolarHBondContact O-N 3.29Å; E310-K314 WeakPolarHBondContact O-CB 3.39Å; E310-K314 PolarHBondContact O-N 2.98Å
311	A	97.4	Very high	95.1	Very high	17 Å²	17	41.6 Å²	41.6	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-34.9	175.3	0	0	0	0	0	112.6	R307 V308 R309 A315 I327 L329	R307-A311 WeakPolarHBondContact O-CB 3.45Å; R307-A311 PolarHBondContact O-N 2.9Å; V308-A311 PolarHBondContact O-N 2.89Å; R309-A311 VanDerWaalsContact C-N 3.3Å; R309-A311 PolarHBondContact O-N 2.92Å; A311-A315 VanDerWaalsContact O-CB 3.24Å; A311-A315 WeakPolarHBondContact O-CB 3.16Å; A311-A315 PolarHBondContact O-N 3.16Å; A311-I327 HydrophobicContact CB-CG2 3.97Å; A311-L329 HydrophobicContact CB-CD1 3.89Å; A311-L329 HydrophobicContact CB-CD2 4.09Å; A311-L329 HydrophobicContact CB-CG 4.21Å
312	A	97.7	Very high	95.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-47.5	175.5	0	0	0	0	0	111.6	L282 I286 V308 R309 E310 K314 A315 K316	L282-A312 HydrophobicContact CB-CB 4.42Å; L282-A312 HydrophobicContact CD2-CB 4.16Å; L282-A312 WeakPolarHBondContact CD2-O 3.41Å; L282-A312 HydrophobicContact CG-CB 4.06Å; I286-A312 HydrophobicContact CD1-CB 3.84Å; V308-A312 WeakPolarHBondContact O-CB 3.08Å; V308-A312 PolarHBondContact O-N 2.9Å; R309-A312 WeakPolarHBondContact O-CB 3.03Å; R309-A312 PolarHBondContact O-N 3.49Å; E310-A312 VanDerWaalsContact C-N 3.33Å; E310-A312 PolarHBondContact O-N 3.32Å; A312-K314 VanDerWaalsContact C-N 3.3Å; A312-K314 PolarHBondContact O-N 2.74Å; A312-A315 PolarHBondContact O-N 2.96Å; A312-K316 WeakPolarHBondContact O-CB 3.29Å; A312-K316 PolarHBondContact O-N 2.7Å
313	E	96.9	Very high	96	Very high	44 Å²	44	44.8 Å²	44.8	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-46.3	174.9	-175.3	-167.7	-177.8	0	0	110.3	K106 D279 R309 E310 K316 C317	K106-E313 IonicContact NZ-OE1 3.93Å; K106-E313 PolarHBondContact NZ-OE1 3.35Å; K106-E313 IonicContact NZ-OE2 3.14Å; K106-E313 PolarHBondContact NZ-OE2 2.88Å; D279-E313 WeakPolarHBondContact OD1-CA 3.08Å; R309-E313 PolarHBondContact O-N 2.93Å; E310-E313 PolarHBondContact O-N 3.29Å; E313-K316 WeakPolarHBondContact O-CB 3.22Å; E313-K316 PolarHBondContact O-N 3.3Å; E313-C317 PolarHBondContact O-N 3.32Å; E313-C317 PolarHBondContact O-SG 3.4Å
314	K	97.4	Very high	96.4	Very high	134 Å²	134	44.1 Å²	44.1	58%	0.583	24%	0.235	S	C	*	.	H	α-helix	trans	-60.4	-48.5	178	-168.1	-172.4	-173.7	-143	0	111.8	E310 A312 K316 C317 E318	E310-K314 WeakPolarHBondContact O-CB 3.39Å; E310-K314 PolarHBondContact O-N 2.98Å; A312-K314 VanDerWaalsContact C-N 3.3Å; A312-K314 PolarHBondContact O-N 2.74Å; K314-K316 PolarHBondContact O-N 2.84Å; K314-C317 PolarHBondContact O-N 2.88Å; K314-E318 WeakPolarHBondContact CE-OE1 3.47Å; K314-E318 HydrophobicContact CG-CG 4.47Å; K314-E318 WeakPolarHBondContact CG-OE1 3.29Å; K314-E318 IonicContact NZ-OE1 3.5Å; K314-E318 PolarHBondContact NZ-OE1 3.5Å; K314-E318 WeakPolarHBondContact O-CG 3.26Å; K314-E318 PolarHBondContact O-N 3.49Å
315	A	98.3	Very high	96.7	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-43.7	178.6	0	0	0	0	0	112	L282 A311 A312 C317 E318 L319 T325 I327	L282-A315 HydrophobicContact CD2-CB 4.31Å; A311-A315 VanDerWaalsContact O-CB 3.24Å; A311-A315 WeakPolarHBondContact O-CB 3.16Å; A311-A315 PolarHBondContact O-N 3.16Å; A312-A315 PolarHBondContact O-N 2.96Å; A315-C317 VanDerWaalsContact C-N 3.33Å; A315-C317 PolarHBondContact O-N 3.48Å; A315-E318 PolarHBondContact O-N 3.49Å; A315-L319 WeakPolarHBondContact O-CB 3.41Å; A315-L319 VanDerWaalsContact O-CG 3.23Å; A315-L319 WeakPolarHBondContact O-CG 3.49Å; A315-L319 PolarHBondContact O-N 3.34Å; A315-T325 HydrophobicContact CB-CG2 3.77Å; A315-I327 HydrophobicContact CB-CD1 3.8Å; A315-I327 HydrophobicContact CB-CG1 3.89Å
316	K	98.1	Very high	96.9	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.065	25%	0.253	C	S	.	.	H	α-helix	trans	-55.1	-48.8	173.3	170.6	-167.7	75.3	-171.8	0	111.3	F278 D279 L282 A312 E313 K314 L319 S320 F351 M389	F278-K316 HydrophobicContact CB-CD 4.09Å; D279-K316 WeakPolarHBondContact OD1-CD 3.13Å; D279-K316 WeakPolarHBondContact OD1-CE 3.4Å; D279-K316 IonicContact OD1-NZ 3.35Å; D279-K316 PolarHBondContact OD1-NZ 3.47Å; D279-K316 IonicContact OD2-NZ 2.73Å; D279-K316 PolarHBondContact OD2-NZ 3.44Å; L282-K316 HydrophobicContact CD2-CB 4.42Å; A312-K316 WeakPolarHBondContact O-CB 3.29Å; A312-K316 PolarHBondContact O-N 2.7Å; E313-K316 WeakPolarHBondContact O-CB 3.22Å; E313-K316 PolarHBondContact O-N 3.3Å; K314-K316 PolarHBondContact O-N 2.84Å; K316-L319 PolarHBondContact O-N 2.87Å; K316-S320 PolarHBondContact O-N 3.23Å; K316-S320 PolarHBondContact O-OG 3.39Å; K316-F351 HydrophobicContact CB-CZ 4.14Å; K316-F351 HydrophobicContact CD-CZ 4.31Å; K316-F351 HydrophobicContact CG-CE1 4.03Å; K316-F351 HydrophobicContact CG-CE2 4.45Å; K316-F351 HydrophobicContact CG-CZ 3.65Å; K316-M389 HydrophobicContact CD-CE 4.05Å; K316-M389 HydrophobicContact CD-SD 3.82Å; K316-M389 HydrophobicContact CG-CE 4.22Å
317	C	97.6	Very high	97.1	Very high	69 Å²	69	47.1 Å²	47.1	47%	0.466	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-46	-179.7	-69.9	0	0	0	0	111.7	E313 K314 A315 L319 S320	E313-C317 PolarHBondContact O-N 3.32Å; E313-C317 PolarHBondContact O-SG 3.4Å; K314-C317 PolarHBondContact O-N 2.88Å; A315-C317 VanDerWaalsContact C-N 3.33Å; A315-C317 PolarHBondContact O-N 3.48Å; C317-L319 VanDerWaalsContact C-N 3.31Å; C317-L319 PolarHBondContact O-N 3.27Å; C317-S320 VanDerWaalsContact O-CB 3.27Å; C317-S320 WeakPolarHBondContact O-CB 3.46Å; C317-S320 PolarHBondContact O-N 3.13Å; C317-S320 VanDerWaalsContact O-N 3.08Å
318	E	97.9	Very high	97.2	Very high	63 Å²	63	49.1 Å²	49.1	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-38.5	177.3	-73.2	174.6	-176.3	0	0	112.4	K314 A315 S320 S321 S322 T325	K314-E318 WeakPolarHBondContact CE-OE1 3.47Å; K314-E318 HydrophobicContact CG-CG 4.47Å; K314-E318 WeakPolarHBondContact CG-OE1 3.29Å; K314-E318 IonicContact NZ-OE1 3.5Å; K314-E318 PolarHBondContact NZ-OE1 3.5Å; K314-E318 WeakPolarHBondContact O-CG 3.26Å; K314-E318 PolarHBondContact O-N 3.49Å; A315-E318 PolarHBondContact O-N 3.49Å; E318-S320 PolarHBondContact O-N 3.44Å; E318-S321 PolarHBondContact O-N 3.22Å; E318-S321 VanDerWaalsContact O-N 3.15Å; E318-S321 PolarHBondContact O-OG 3.19Å; E318-S322 WeakPolarHBondContact O-CB 3.08Å; E318-S322 PolarHBondContact O-N 3.46Å; E318-T325 WeakPolarHBondContact OE2-CB 3.45Å; E318-T325 PolarHBondContact OE2-OG1 2.81Å
319	L	98.3	Very high	97.2	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.2	177.3	-73	175.9	0	0	0	114.1	A315 K316 C317 S321 S322 T325 L346 R348 F351	A315-L319 WeakPolarHBondContact O-CB 3.41Å; A315-L319 VanDerWaalsContact O-CG 3.23Å; A315-L319 WeakPolarHBondContact O-CG 3.49Å; A315-L319 PolarHBondContact O-N 3.34Å; K316-L319 PolarHBondContact O-N 2.87Å; C317-L319 VanDerWaalsContact C-N 3.31Å; C317-L319 PolarHBondContact O-N 3.27Å; L319-S321 VanDerWaalsContact C-N 3.3Å; L319-S322 CarbonylContact C-O 3.51Å; L319-S322 WeakPolarHBondContact CA-O 3.36Å; L319-S322 VanDerWaalsContact O-O 3.05Å; L319-T325 HydrophobicContact CD1-CG2 4.07Å; L319-T325 HydrophobicContact CD2-CG2 3.93Å; L319-T325 HydrophobicContact CG-CG2 3.74Å; L319-L346 HydrophobicContact CD1-CD2 3.68Å; L319-L346 HydrophobicContact CD1-CG 3.95Å; L319-R348 HydrophobicContact CD2-CB 4.21Å; L319-R348 PolarHBondContact O-NE 2.94Å; L319-R348 PolarHBondContact O-NH2 2.79Å; L319-F351 HydrophobicContact CD1-CB 3.64Å; L319-F351 HydrophobicContact CD1-CD1 4.29Å; L319-F351 HydrophobicContact CD1-CG 4.06Å
320	S	96.9	Very high	97.3	Very high	29 Å²	29	51.8 Å²	51.8	20%	0.203	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.4	172.7	-60.3	0	0	0	0	112.3	K316 C317 E318 P393	K316-S320 PolarHBondContact O-N 3.23Å; K316-S320 PolarHBondContact O-OG 3.39Å; C317-S320 VanDerWaalsContact O-CB 3.27Å; C317-S320 WeakPolarHBondContact O-CB 3.46Å; C317-S320 PolarHBondContact O-N 3.13Å; C317-S320 VanDerWaalsContact O-N 3.08Å; E318-S320 PolarHBondContact O-N 3.44Å; S320-P393 WeakPolarHBondContact O-CG 3.49Å
321	S	95.5	Very high	97.3	Very high	97 Å²	97	56.7 Å²	56.7	68%	0.678	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-35.4	175.2	58.8	0	0	0	0	112.7	E318 L319 R348	E318-S321 PolarHBondContact O-N 3.22Å; E318-S321 VanDerWaalsContact O-N 3.15Å; E318-S321 PolarHBondContact O-OG 3.19Å; L319-S321 VanDerWaalsContact C-N 3.3Å; S321-R348 VanDerWaalsContact C-NH2 3.26Å; S321-R348 PolarHBondContact O-NH2 2.74Å; S321-R348 VanDerWaalsContact O-NH2 3.13Å
322	S	97.1	Very high	97.1	Very high	53 Å²	53	56 Å²	56	37%	0.371	30%	0.297	S	S	.	.			trans	-98.1	152.1	-176.3	-56.8	0	0	0	0	112.3	E318 L319 Q324 R348	E318-S322 WeakPolarHBondContact O-CB 3.08Å; E318-S322 PolarHBondContact O-N 3.46Å; L319-S322 CarbonylContact C-O 3.51Å; L319-S322 WeakPolarHBondContact CA-O 3.36Å; L319-S322 VanDerWaalsContact O-O 3.05Å; S322-Q324 VanDerWaalsContact C-N 3.33Å; S322-Q324 WeakPolarHBondContact CB-O 3.44Å; S322-R348 PolarHBondContact O-NE 3.47Å; S322-R348 PolarHBondContact O-NH2 2.95Å
323	L	97.8	Very high	96.9	Very high	132 Å²	132	57.1 Å²	57.1	69%	0.691	30%	0.303	S	S	*	.	S	Bend	trans	-80	-18.8	176.3	-67.9	175.3	0	0	0	112.8	T347 R348	L323-T347 WeakPolarHBondContact O-CA 3.49Å; L323-R348 PolarHBondContact O-N 2.97Å
324	Q	98	Very high	96.6	Very high	87 Å²	87	62 Å²	62	41%	0.407	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	152.8	-178.7	-179.7	177.8	-20.9	0	0	109.6	S322 L346 T347	S322-Q324 VanDerWaalsContact C-N 3.33Å; S322-Q324 WeakPolarHBondContact CB-O 3.44Å; Q324-L346 CarbonylContact C-O 3.57Å; Q324-L346 WeakPolarHBondContact CA-O 3.35Å; Q324-L346 WeakPolarHBondContact CG-O 3.19Å; Q324-T347 HydrophobicContact CB-CG2 4.49Å; Q324-T347 HydrophobicContact CG-CG2 4.31Å
325	T	98.3	Very high	96.1	Very high	9 Å²	9	58 Å²	58	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.5	170	179.4	0	0	0	0	110.6	A315 E318 L319 L346	A315-T325 HydrophobicContact CB-CG2 3.77Å; E318-T325 WeakPolarHBondContact OE2-CB 3.45Å; E318-T325 PolarHBondContact OE2-OG1 2.81Å; L319-T325 HydrophobicContact CD1-CG2 4.07Å; L319-T325 HydrophobicContact CD2-CG2 3.93Å; L319-T325 HydrophobicContact CG-CG2 3.74Å; T325-L346 HydrophobicContact CG2-CB 4.23Å; T325-L346 PolarHBondContact N-O 3.17Å; T325-L346 PolarHBondContact O-N 2.85Å
326	D	97.4	Very high	95.6	Very high	86 Å²	86	63.4 Å²	63.4	46%	0.46	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.7	175.4	-71.3	-78	0	0	0	109.7	N328 K345	D326-N328 PolarHBondContact O-N 2.94Å; D326-K345 WeakPolarHBondContact OD1-CE 3.41Å; D326-K345 WeakPolarHBondContact OD1-CG 3.44Å
327	I	97.8	Very high	95.2	Very high	6 Å²	6	67.1 Å²	67.1	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	100.2	173.1	-53.6	-178.9	0	0	0	107.9	I286 A311 A315 L342 N343 M344 L346	I286-I327 HydrophobicContact CD1-CD1 3.54Å; I286-I327 HydrophobicContact CG1-CD1 4.03Å; A311-I327 HydrophobicContact CB-CG2 3.97Å; A315-I327 HydrophobicContact CB-CD1 3.8Å; A315-I327 HydrophobicContact CB-CG1 3.89Å; I327-L342 HydrophobicContact CG2-CD2 3.69Å; I327-L342 HydrophobicContact CG2-CG 4.41Å; I327-N343 WeakPolarHBondContact O-CA 3.47Å; I327-M344 HydrophobicContact CB-CB 4.33Å; I327-M344 PolarHBondContact N-O 3.49Å; I327-M344 PolarHBondContact O-N 2.75Å; I327-L346 HydrophobicContact CD1-CD2 4.28Å
328	N	97	Very high	94.9	Very high	99 Å²	99	64.8 Å²	64.8	53%	0.529	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105.7	-178.4	-174.8	9.4	0	0	0	111.2	D326 L342	D326-N328 PolarHBondContact O-N 2.94Å; N328-L342 CarbonylContact C-O 3.56Å; N328-L342 WeakPolarHBondContact CA-O 3.37Å
329	L	96.9	Very high	94.7	Very high	24 Å²	24	65 Å²	65	13%	0.126	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	98.5	175.2	-61	176.5	0	0	0	110.1	R307 V308 A311 L332 H341 L342	R307-L329 HydrophobicContact CB-CD1 4.31Å; V308-L329 HydrophobicContact CB-CD1 4.48Å; V308-L329 HydrophobicContact CG2-CD1 3.96Å; A311-L329 HydrophobicContact CB-CD1 3.89Å; A311-L329 HydrophobicContact CB-CD2 4.09Å; A311-L329 HydrophobicContact CB-CG 4.21Å; L329-L332 HydrophobicContact CB-CB 4.41Å; L329-L332 HydrophobicContact CB-CD1 4.23Å; L329-L332 HydrophobicContact CD1-CD1 3.94Å; L329-L332 HydrophobicContact CD1-CD2 4.45Å; L329-H341 WeakPolarHBondContact O-CA 3.35Å; L329-L342 HydrophobicContact CB-CB 4.19Å; L329-L342 HydrophobicContact CD1-CD2 4.06Å; L329-L342 HydrophobicContact CG-CD2 4.44Å; L329-L342 PolarHBondContact N-O 2.91Å; L329-L342 PolarHBondContact O-N 2.97Å
330	P	96	Very high	94.5	Very high	58 Å²	58	67.2 Å²	67.2	38%	0.377	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.2	175.1	30.2	-34.6	0	0	0	111.1	R307 L332 H341	R307-P330 PolarHBondContact NH1-O 3.12Å; R307-P330 PolarHBondContact NH2-O 2.91Å; P330-L332 PolarHBondContact O-N 3.24Å; P330-H341 VanDerWaalsContact CA-ND1 3.29Å; P330-H341 WeakPolarHBondContact CA-ND1 3.37Å
331	Y	94.1	Very high	94.4	Very high	164 Å²	164	70.1 Å²	70.1	64%	0.643	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.9	48.4	178.9	-53.1	-78.7	0	0	0	111.3	R307 P339 K340 H341	R307-Y331 PolarHBondContact NH1-O 3.26Å; Y331-P339 HydrophobicContact CD1-CB 3.64Å; Y331-P339 HydrophobicContact CD1-CG 4.16Å; Y331-P339 HydrophobicContact CE1-CB 4.09Å; Y331-P339 HydrophobicContact CE1-CG 4.1Å; Y331-K340 CarbonylContact C-O 3.57Å; Y331-H341 AromaticContact CD1-CE1 3.87Å; Y331-H341 AromaticContact CE1-CE1 3.85Å; Y331-H341 PolarHBondContact N-ND1 3.24Å
332	L	94.3	Very high	94.5	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-43.8	-176	-178.9	57.6	0	0	0	110.7	F290 L298 A304 R307 V308 L329 P330 K340 L342	F290-L332 HydrophobicContact CD2-CD2 4.45Å; F290-L332 HydrophobicContact CE2-CD2 4.18Å; F290-L332 HydrophobicContact CZ-CD2 4.34Å; L298-L332 HydrophobicContact CD1-CD2 3.73Å; L298-L332 HydrophobicContact CD1-CG 4.5Å; L298-L332 HydrophobicContact CD2-CD2 4.33Å; L298-L332 HydrophobicContact CD2-CG 4.34Å; A304-L332 HydrophobicContact CB-CD1 3.89Å; A304-L332 HydrophobicContact CB-CG 4.17Å; A304-L332 VanDerWaalsContact CB-O 3.28Å; A304-L332 WeakPolarHBondContact CB-O 3.44Å; R307-L332 HydrophobicContact CB-CD1 4.2Å; V308-L332 HydrophobicContact CG2-CD1 3.99Å; V308-L332 HydrophobicContact CG2-CD2 3.81Å; V308-L332 HydrophobicContact CG2-CG 4.5Å; L329-L332 HydrophobicContact CB-CB 4.41Å; L329-L332 HydrophobicContact CB-CD1 4.23Å; L329-L332 HydrophobicContact CD1-CD1 3.94Å; L329-L332 HydrophobicContact CD1-CD2 4.45Å; P330-L332 PolarHBondContact O-N 3.24Å; L332-K340 PolarHBondContact N-O 2.9Å; L332-L342 HydrophobicContact CD2-CB 3.7Å; L332-L342 HydrophobicContact CD2-CD2 4.35Å
333	T	93.6	Very high	94.4	Very high	23 Å²	23	68.1 Å²	68.1	14%	0.141	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	-178.4	177.2	-165.5	0	0	0	0	109.7	F290 V296 L298 D301 K340	F290-T333 HydrophobicContact CE1-CG2 4.06Å; F290-T333 HydrophobicContact CZ-CG2 3.97Å; V296-T333 HydrophobicContact CG1-CG2 3.86Å; L298-T333 HydrophobicContact CD2-CG2 3.73Å; D301-T333 PolarHBondContact OD2-OG1 2.98Å; D301-T333 VanDerWaalsContact OD2-OG1 3.11Å; T333-K340 HydrophobicContact CG2-CB 4.06Å; T333-K340 PolarHBondContact O-N 3.33Å
334	M	91.2	Very high	94.4	Very high	145 Å²	145	62.7 Å²	62.7	71%	0.714	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	143	-179.4	-175	174.8	69.2	0	0	110.6
335	D	86.4	Confident	94.3	Very high	51 Å²	51	65 Å²	65	27%	0.273	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-172.7	168.1	74.5	4.2	0	0	0	111.1	V296 S337 G338 K340	V296-D335 HydrophobicContact CG2-CB 4.08Å; D335-S337 PolarHBondContact O-N 2.94Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 WeakPolarHBondContact OD1-CA 3.46Å; D335-S337 WeakPolarHBondContact OD1-CB 3.28Å; D335-S337 PolarHBondContact OD1-N 3.33Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-S337 PolarHBondContact OD2-OG 3.38Å; D335-G338 PolarHBondContact N-O 3.47Å; D335-G338 PolarHBondContact O-N 2.91Å; D335-G338 PolarHBondContact OD1-N 3.47Å; D335-K340 VanDerWaalsContact OD1-CE 3.23Å; D335-K340 WeakPolarHBondContact OD1-CE 3.18Å; D335-K340 IonicContact OD1-NZ 3.74Å; D335-K340 WeakPolarHBondContact OD2-CE 3.46Å; D335-K340 IonicContact OD2-NZ 3.3Å; D335-K340 PolarHBondContact OD2-NZ 3.38Å
336	A	87.8	Confident	94.3	Very high	116 Å²	116	64.6 Å²	64.6	96%	0.959	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.7	179.2	0	0	0	0	0	114.2
337	S	88.4	Confident	94.4	Very high	92 Å²	92	62.6 Å²	62.6	64%	0.643	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.1	177	70.5	0	0	0	0	113.6	D335 K340	D335-S337 PolarHBondContact O-N 2.94Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 WeakPolarHBondContact OD1-CA 3.46Å; D335-S337 WeakPolarHBondContact OD1-CB 3.28Å; D335-S337 PolarHBondContact OD1-N 3.33Å; D335-S337 PolarHBondContact OD1-OG 3.48Å; D335-S337 PolarHBondContact OD2-OG 3.38Å; S337-K340 WeakPolarHBondContact OG-CE 3.34Å; S337-K340 PolarHBondContact OG-NZ 3.49Å
338	G	91.7	Very high	94.4	Very high	20 Å²	20	64.5 Å²	64.5	21%	0.206	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.4	-165.7	177	0	0	0	0	0	113.9	D335	D335-G338 PolarHBondContact N-O 3.47Å; D335-G338 PolarHBondContact O-N 2.91Å; D335-G338 PolarHBondContact OD1-N 3.47Å
339	P	93.9	Very high	94.5	Very high	69 Å²	69	64 Å²	64	45%	0.448	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.8	-179.1	26.9	-33.4	0	0	0	111.7	Y331	Y331-P339 HydrophobicContact CD1-CB 3.64Å; Y331-P339 HydrophobicContact CD1-CG 4.16Å; Y331-P339 HydrophobicContact CE1-CB 4.09Å; Y331-P339 HydrophobicContact CE1-CG 4.1Å
340	K	94.3	Very high	94.5	Very high	48 Å²	48	67.3 Å²	67.3	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.9	175.3	-61.2	-62.7	-179.5	-177.8	0	110.7	F290 Y331 L332 T333 D335 S337	F290-K340 HydrophobicContact CE2-CB 4.47Å; F290-K340 HydrophobicContact CZ-CB 3.88Å; Y331-K340 CarbonylContact C-O 3.57Å; L332-K340 PolarHBondContact N-O 2.9Å; T333-K340 HydrophobicContact CG2-CB 4.06Å; T333-K340 PolarHBondContact O-N 3.33Å; D335-K340 VanDerWaalsContact OD1-CE 3.23Å; D335-K340 WeakPolarHBondContact OD1-CE 3.18Å; D335-K340 IonicContact OD1-NZ 3.74Å; D335-K340 WeakPolarHBondContact OD2-CE 3.46Å; D335-K340 IonicContact OD2-NZ 3.3Å; D335-K340 PolarHBondContact OD2-NZ 3.38Å; S337-K340 WeakPolarHBondContact OG-CE 3.34Å; S337-K340 PolarHBondContact OG-NZ 3.49Å
341	H	95.3	Very high	94.6	Very high	90 Å²	90	64.7 Å²	64.7	42%	0.417	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.3	179.1	-50.7	-91	0	0	0	108.6	L329 P330 Y331	L329-H341 WeakPolarHBondContact O-CA 3.35Å; P330-H341 VanDerWaalsContact CA-ND1 3.29Å; P330-H341 WeakPolarHBondContact CA-ND1 3.37Å; Y331-H341 AromaticContact CD1-CE1 3.87Å; Y331-H341 AromaticContact CE1-CE1 3.85Å; Y331-H341 PolarHBondContact N-ND1 3.24Å
342	L	96.4	Very high	94.8	Very high	2 Å²	2	59 Å²	59	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.8	166.2	172.8	70.6	0	0	0	108	I286 F290 I327 N328 L329 L332 M344	I286-L342 HydrophobicContact CG2-CD1 4.11Å; I286-L342 HydrophobicContact CG2-CD2 3.5Å; I286-L342 HydrophobicContact CG2-CG 4.47Å; F290-L342 HydrophobicContact CB-CD1 4.25Å; F290-L342 HydrophobicContact CD2-CB 4.09Å; F290-L342 HydrophobicContact CD2-CD1 3.81Å; F290-L342 HydrophobicContact CE2-CB 4.27Å; F290-L342 HydrophobicContact CG-CD1 4.48Å; I327-L342 HydrophobicContact CG2-CD2 3.69Å; I327-L342 HydrophobicContact CG2-CG 4.41Å; N328-L342 CarbonylContact C-O 3.56Å; N328-L342 WeakPolarHBondContact CA-O 3.37Å; L329-L342 HydrophobicContact CB-CB 4.19Å; L329-L342 HydrophobicContact CD1-CD2 4.06Å; L329-L342 HydrophobicContact CG-CD2 4.44Å; L329-L342 PolarHBondContact N-O 2.91Å; L329-L342 PolarHBondContact O-N 2.97Å; L332-L342 HydrophobicContact CD2-CB 3.7Å; L332-L342 HydrophobicContact CD2-CD2 4.35Å; L342-M344 HydrophobicContact CD1-CB 4.18Å; L342-M344 HydrophobicContact CD1-CE 4.22Å
343	N	95.8	Very high	95	Very high	105 Å²	105	61.5 Å²	61.5	56%	0.561	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	104.2	170.3	-171.3	-20.8	0	0	0	108.1	I327	I327-N343 WeakPolarHBondContact O-CA 3.47Å
344	M	97.1	Very high	95.3	Very high	18 Å²	18	62 Å²	62	9%	0.089	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.1	-173.4	177.1	-177.4	-71	0	0	110.7	I286 E289 I327 L342	I286-M344 HydrophobicContact CG1-SD 3.95Å; I286-M344 HydrophobicContact CG2-CE 4.36Å; I286-M344 HydrophobicContact CG2-SD 4.49Å; E289-M344 HydrophobicContact CB-CE 3.35Å; E289-M344 HydrophobicContact CG-CE 4.01Å; I327-M344 HydrophobicContact CB-CB 4.33Å; I327-M344 PolarHBondContact N-O 3.49Å; I327-M344 PolarHBondContact O-N 2.75Å; L342-M344 HydrophobicContact CD1-CB 4.18Å; L342-M344 HydrophobicContact CD1-CE 4.22Å
345	K	97.7	Very high	95.6	Very high	136 Å²	136	55.1 Å²	55.1	59%	0.591	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.3	168.2	-79.8	176.6	-179.9	-150.2	0	109.7	D326	D326-K345 WeakPolarHBondContact OD1-CE 3.41Å; D326-K345 WeakPolarHBondContact OD1-CG 3.44Å
346	L	98.1	Very high	96.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.7	177.8	-174.9	70.1	0	0	0	110	L282 L319 Q324 T325 I327 Q350 F351 I354	L282-L346 HydrophobicContact CD1-CD1 4.46Å; L282-L346 HydrophobicContact CD1-CD2 3.54Å; L282-L346 HydrophobicContact CD2-CD2 4.02Å; L282-L346 HydrophobicContact CG-CD2 4.43Å; L319-L346 HydrophobicContact CD1-CD2 3.68Å; L319-L346 HydrophobicContact CD1-CG 3.95Å; Q324-L346 CarbonylContact C-O 3.57Å; Q324-L346 WeakPolarHBondContact CA-O 3.35Å; Q324-L346 WeakPolarHBondContact CG-O 3.19Å; T325-L346 HydrophobicContact CG2-CB 4.23Å; T325-L346 PolarHBondContact N-O 3.17Å; T325-L346 PolarHBondContact O-N 2.85Å; I327-L346 HydrophobicContact CD1-CD2 4.28Å; L346-Q350 HydrophobicContact CD1-CB 3.96Å; L346-F351 HydrophobicContact CD2-CB 4.45Å; L346-I354 HydrophobicContact CD1-CD1 4.32Å
347	T	98.5	Very high	96.6	Very high	43 Å²	43	52 Å²	52	26%	0.264	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	155.8	174	65.7	0	0	0	0	111.3	L323 Q324 S349 Q350 F351	L323-T347 WeakPolarHBondContact O-CA 3.49Å; Q324-T347 HydrophobicContact CB-CG2 4.49Å; Q324-T347 HydrophobicContact CG-CG2 4.31Å; T347-S349 VanDerWaalsContact C-N 3.26Å; T347-S349 PolarHBondContact O-N 3.2Å; T347-Q350 PolarHBondContact O-N 3.23Å; T347-Q350 VanDerWaalsContact OG1-CD 3.32Å; T347-Q350 VanDerWaalsContact OG1-CG 3.26Å; T347-Q350 WeakPolarHBondContact OG1-CG 3.42Å; T347-Q350 PolarHBondContact OG1-N 2.86Å; T347-Q350 PolarHBondContact OG1-OE1 2.97Å; T347-F351 PolarHBondContact O-N 3.22Å
348	R	98.4	Very high	97.1	Very high	47 Å²	47	47.7 Å²	47.7	18%	0.177	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-42.8	174.2	-175.9	-174	-64.2	166.9	1.2	111.3	L319 S321 S322 L323 Q350 F351 E352	L319-R348 HydrophobicContact CD2-CB 4.21Å; L319-R348 PolarHBondContact O-NE 2.94Å; L319-R348 PolarHBondContact O-NH2 2.79Å; S321-R348 VanDerWaalsContact C-NH2 3.26Å; S321-R348 PolarHBondContact O-NH2 2.74Å; S321-R348 VanDerWaalsContact O-NH2 3.13Å; S322-R348 PolarHBondContact O-NE 3.47Å; S322-R348 PolarHBondContact O-NH2 2.95Å; L323-R348 PolarHBondContact O-N 2.97Å; R348-Q350 VanDerWaalsContact C-N 3.35Å; R348-Q350 PolarHBondContact O-N 3.2Å; R348-F351 PolarHBondContact O-N 2.79Å; R348-E352 WeakPolarHBondContact CD-OE1 3.35Å; R348-E352 HydrophobicContact CG-CG 4.28Å; R348-E352 WeakPolarHBondContact CG-OE1 3.46Å; R348-E352 WeakPolarHBondContact O-CB 3.31Å; R348-E352 VanDerWaalsContact O-CG 3.3Å; R348-E352 WeakPolarHBondContact O-CG 3.46Å; R348-E352 PolarHBondContact O-N 2.63Å
349	S	98.2	Very high	97.4	Very high	88 Å²	88	47 Å²	47	62%	0.615	26%	0.262	S	S	*	.	H	α-helix	trans	-62.7	-39.9	179.8	-179.7	0	0	0	0	112.5	T347 E352 G353	T347-S349 VanDerWaalsContact C-N 3.26Å; T347-S349 PolarHBondContact O-N 3.2Å; S349-E352 PolarHBondContact O-N 3.14Å; S349-G353 PolarHBondContact O-N 3.41Å
350	Q	98.1	Very high	97.5	Very high	94 Å²	94	52 Å²	52	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-46.2	173.7	-73.9	164.9	-50.4	0	0	111.4	L346 T347 R348 E352 G353 I354	L346-Q350 HydrophobicContact CD1-CB 3.96Å; T347-Q350 PolarHBondContact O-N 3.23Å; T347-Q350 VanDerWaalsContact OG1-CD 3.32Å; T347-Q350 VanDerWaalsContact OG1-CG 3.26Å; T347-Q350 WeakPolarHBondContact OG1-CG 3.42Å; T347-Q350 PolarHBondContact OG1-N 2.86Å; T347-Q350 PolarHBondContact OG1-OE1 2.97Å; R348-Q350 VanDerWaalsContact C-N 3.35Å; R348-Q350 PolarHBondContact O-N 3.2Å; Q350-E352 PolarHBondContact O-N 2.85Å; Q350-G353 PolarHBondContact O-N 2.78Å; Q350-G353 VanDerWaalsContact O-N 3.15Å; Q350-I354 VanDerWaalsContact O-CG1 3.32Å; Q350-I354 WeakPolarHBondContact O-CG1 3.3Å; Q350-I354 PolarHBondContact O-N 3.42Å
351	F	98.4	Very high	97.7	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-46.5	176.6	175.7	-119.6	0	0	0	112.1	F278 L282 K316 L319 L346 T347 R348 G353 I354 V355 M392	F278-F351 HydrophobicContact CB-CZ 4.43Å; F278-F351 HydrophobicContact CD1-CZ 4.05Å; L282-F351 HydrophobicContact CB-CD2 4.49Å; L282-F351 HydrophobicContact CB-CE2 4.27Å; L282-F351 HydrophobicContact CD1-CD2 4.42Å; L282-F351 HydrophobicContact CD2-CD2 4.11Å; L282-F351 HydrophobicContact CD2-CE2 4.17Å; K316-F351 HydrophobicContact CB-CZ 4.14Å; K316-F351 HydrophobicContact CD-CZ 4.31Å; K316-F351 HydrophobicContact CG-CE1 4.03Å; K316-F351 HydrophobicContact CG-CE2 4.45Å; K316-F351 HydrophobicContact CG-CZ 3.65Å; L319-F351 HydrophobicContact CD1-CB 3.64Å; L319-F351 HydrophobicContact CD1-CD1 4.29Å; L319-F351 HydrophobicContact CD1-CG 4.06Å; L346-F351 HydrophobicContact CD2-CB 4.45Å; T347-F351 PolarHBondContact O-N 3.22Å; R348-F351 PolarHBondContact O-N 2.79Å; F351-G353 PolarHBondContact O-N 2.99Å; F351-I354 WeakPolarHBondContact O-CB 3.42Å; F351-I354 PolarHBondContact O-N 3.07Å; F351-V355 HydrophobicContact CD2-CG1 4.15Å; F351-V355 HydrophobicContact CE1-CG2 4.37Å; F351-V355 HydrophobicContact CE2-CG1 3.51Å; F351-V355 HydrophobicContact CE2-CG2 4.31Å; F351-V355 HydrophobicContact CZ-CG1 3.93Å; F351-V355 HydrophobicContact CZ-CG2 4.12Å; F351-V355 WeakPolarHBondContact O-CG2 2.95Å; F351-V355 PolarHBondContact O-N 2.68Å; F351-V355 VanDerWaalsContact O-N 3.14Å; F351-M392 HydrophobicContact CD1-CE 3.72Å; F351-M392 HydrophobicContact CE1-CE 3.49Å; F351-M392 VanDerWaalsContact CE1-CE 3.49Å; F351-M392 HydrophobicContact CE1-SD 3.78Å; F351-M392 HydrophobicContact CZ-CE 4.39Å; F351-M392 HydrophobicContact CZ-SD 4.47Å
352	E	98.3	Very high	97.8	Very high	46 Å²	46	49.7 Å²	49.7	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-56.5	-38.3	174.7	-73.6	175.2	-178.1	0	0	112.3	R348 S349 Q350 A356 M392 K394	R348-E352 WeakPolarHBondContact CD-OE1 3.35Å; R348-E352 HydrophobicContact CG-CG 4.28Å; R348-E352 WeakPolarHBondContact CG-OE1 3.46Å; R348-E352 WeakPolarHBondContact O-CB 3.31Å; R348-E352 VanDerWaalsContact O-CG 3.3Å; R348-E352 WeakPolarHBondContact O-CG 3.46Å; R348-E352 PolarHBondContact O-N 2.63Å; S349-E352 PolarHBondContact O-N 3.14Å; Q350-E352 PolarHBondContact O-N 2.85Å; E352-A356 WeakPolarHBondContact O-CA 3.08Å; E352-A356 WeakPolarHBondContact O-CB 3.43Å; E352-A356 PolarHBondContact O-N 3.23Å; E352-A356 VanDerWaalsContact O-N 3.12Å; E352-M392 HydrophobicContact CB-CE 4.44Å; E352-M392 HydrophobicContact CG-CE 3.67Å; E352-K394 HydrophobicContact CG-CB 3.81Å; E352-K394 HydrophobicContact CG-CG 4.1Å
353	G	98.3	Very high	97.9	Very high	56 Å²	56	51.1 Å²	51.1	58%	0.577	27%	0.267	S	S	*	.	H	α-helix	trans	-66	-37.8	173.5	0	0	0	0	0	113.4	S349 Q350 F351 V355	S349-G353 PolarHBondContact O-N 3.41Å; Q350-G353 PolarHBondContact O-N 2.78Å; Q350-G353 VanDerWaalsContact O-N 3.15Å; F351-G353 PolarHBondContact O-N 2.99Å; G353-V355 VanDerWaalsContact C-N 3.35Å
354	I	98.3	Very high	97.9	Very high	33 Å²	33	48.2 Å²	48.2	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-34.3	179.6	-69.1	161.6	0	0	0	112	H281 L282 H285 L346 Q350 F351	H281-I354 HydrophobicContact CB-CG2 3.91Å; L282-I354 HydrophobicContact CD1-CD1 4.22Å; H285-I354 HydrophobicContact CB-CD1 3.97Å; H285-I354 HydrophobicContact CB-CG1 4.46Å; H285-I354 HydrophobicContact CB-CG2 4.45Å; H285-I354 VanDerWaalsContact CD2-CD1 3.49Å; H285-I354 WeakPolarHBondContact CD2-CD1 3.42Å; H285-I354 VanDerWaalsContact CG-CD1 3.5Å; L346-I354 HydrophobicContact CD1-CD1 4.32Å; Q350-I354 VanDerWaalsContact O-CG1 3.32Å; Q350-I354 WeakPolarHBondContact O-CG1 3.3Å; Q350-I354 PolarHBondContact O-N 3.42Å; F351-I354 WeakPolarHBondContact O-CB 3.42Å; F351-I354 PolarHBondContact O-N 3.07Å
355	V	98.4	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	11.2	-174.4	-55.9	0	0	0	0	114.2	F278 H281 F351 G353 D357 L358 I359 M392	F278-V355 HydrophobicContact CB-CG1 4.29Å; F278-V355 HydrophobicContact CD1-CB 3.74Å; F278-V355 HydrophobicContact CD1-CG1 3.84Å; F278-V355 HydrophobicContact CD1-CG2 3.72Å; F278-V355 HydrophobicContact CE1-CB 3.95Å; F278-V355 HydrophobicContact CE1-CG2 3.73Å; F278-V355 HydrophobicContact CG-CB 4.44Å; F278-V355 HydrophobicContact CG-CG1 4.26Å; H281-V355 HydrophobicContact CB-CG1 4.18Å; F351-V355 HydrophobicContact CD2-CG1 4.15Å; F351-V355 HydrophobicContact CE1-CG2 4.37Å; F351-V355 HydrophobicContact CE2-CG1 3.51Å; F351-V355 HydrophobicContact CE2-CG2 4.31Å; F351-V355 HydrophobicContact CZ-CG1 3.93Å; F351-V355 HydrophobicContact CZ-CG2 4.12Å; F351-V355 WeakPolarHBondContact O-CG2 2.95Å; F351-V355 PolarHBondContact O-N 2.68Å; F351-V355 VanDerWaalsContact O-N 3.14Å; G353-V355 VanDerWaalsContact C-N 3.35Å; V355-D357 PolarHBondContact O-N 2.86Å; V355-L358 HydrophobicContact CB-CD1 4.32Å; V355-L358 HydrophobicContact CG1-CD1 4.45Å; V355-L358 WeakPolarHBondContact O-CB 3.46Å; V355-L358 PolarHBondContact O-N 3.33Å; V355-L358 VanDerWaalsContact O-N 3.09Å; V355-I359 HydrophobicContact CG2-CD1 4.1Å; V355-I359 PolarHBondContact O-N 3.28Å; V355-M392 HydrophobicContact CG2-CE 3.69Å; V355-M392 HydrophobicContact CG2-SD 4.32Å
356	A	98	Very high	97.8	Very high	39 Å²	39	41.5 Å²	41.5	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-58.4	-34.2	-172.9	0	0	0	0	0	113.6	E352 R360	E352-A356 WeakPolarHBondContact O-CA 3.08Å; E352-A356 WeakPolarHBondContact O-CB 3.43Å; E352-A356 PolarHBondContact O-N 3.23Å; E352-A356 VanDerWaalsContact O-N 3.12Å; A356-R360 WeakPolarHBondContact O-CB 3.29Å; A356-R360 PolarHBondContact O-N 3.11Å; A356-R360 VanDerWaalsContact O-N 3.09Å
357	D	97.4	Very high	97.8	Very high	63 Å²	63	46.6 Å²	46.6	34%	0.337	25%	0.253	S	S	.	.	H	α-helix	trans	-70.1	-37.2	178	69.3	-68.2	0	0	0	112.2	V355 R360 R361	V355-D357 PolarHBondContact O-N 2.86Å; D357-R360 PolarHBondContact O-N 3.12Å; D357-R361 WeakPolarHBondContact O-CG 3.24Å; D357-R361 PolarHBondContact O-N 2.97Å
358	L	98	Very high	97.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-43.6	177.1	-59.7	-176.8	0	0	0	111.3	L273 D277 F278 V355 R360 R361	L273-L358 HydrophobicContact CD1-CB 4.14Å; L273-L358 HydrophobicContact CD1-CD2 4.04Å; D277-L358 HydrophobicContact CB-CD1 3.93Å; D277-L358 HydrophobicContact CB-CD2 4.32Å; F278-L358 HydrophobicContact CB-CD1 4.49Å; F278-L358 HydrophobicContact CD2-CB 4.37Å; F278-L358 HydrophobicContact CD2-CD1 3.63Å; F278-L358 HydrophobicContact CE2-CB 3.8Å; F278-L358 HydrophobicContact CE2-CD1 3.93Å; F278-L358 HydrophobicContact CG-CD1 3.98Å; F278-L358 HydrophobicContact CZ-CB 3.91Å; V355-L358 HydrophobicContact CB-CD1 4.32Å; V355-L358 HydrophobicContact CG1-CD1 4.45Å; V355-L358 WeakPolarHBondContact O-CB 3.46Å; V355-L358 PolarHBondContact O-N 3.33Å; V355-L358 VanDerWaalsContact O-N 3.09Å; L358-R360 VanDerWaalsContact C-N 3.35Å; L358-R361 WeakPolarHBondContact O-CB 3.3Å; L358-R361 PolarHBondContact O-N 3.18Å
359	I	98.1	Very high	97.4	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-40.3	175.8	-58.6	174.6	0	0	0	110.2	F278 V355 R361 T362 M392 K394 V395 T398	F278-I359 HydrophobicContact CE1-CD1 4.33Å; F278-I359 HydrophobicContact CE1-CG1 3.86Å; F278-I359 HydrophobicContact CZ-CG1 3.89Å; V355-I359 HydrophobicContact CG2-CD1 4.1Å; V355-I359 PolarHBondContact O-N 3.28Å; I359-R361 VanDerWaalsContact C-N 3.25Å; I359-R361 PolarHBondContact O-N 3.1Å; I359-T362 PolarHBondContact O-N 2.9Å; I359-T362 PolarHBondContact O-OG1 2.92Å; I359-M392 HydrophobicContact CD1-CE 3.85Å; I359-M392 HydrophobicContact CD1-SD 3.98Å; I359-K394 HydrophobicContact CD1-CB 3.99Å; I359-K394 HydrophobicContact CD1-CG 3.64Å; I359-V395 HydrophobicContact CD1-CG2 4.21Å; I359-V395 HydrophobicContact CG1-CG2 4.17Å; I359-T398 HydrophobicContact CG2-CG2 4Å; I359-T398 WeakPolarHBondContact CG2-OG1 3.38Å
360	R	97.4	Very high	97.4	Very high	173 Å²	173	43.9 Å²	43.9	65%	0.653	23%	0.228	S	C	*	.	H	α-helix	trans	-62.5	-33.4	177.7	-167.6	-176.5	-59.4	124.8	3.7	112.4	A356 D357 L358 T362 V363	A356-R360 WeakPolarHBondContact O-CB 3.29Å; A356-R360 PolarHBondContact O-N 3.11Å; A356-R360 VanDerWaalsContact O-N 3.09Å; D357-R360 PolarHBondContact O-N 3.12Å; L358-R360 VanDerWaalsContact C-N 3.35Å; R360-T362 PolarHBondContact O-N 3.05Å; R360-V363 PolarHBondContact O-N 3.26Å
361	R	97.4	Very high	97.2	Very high	89 Å²	89	46.4 Å²	46.4	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-23.3	177.9	-75.9	168.1	59.2	-161.9	-2.6	113.1	D270 L273 D357 L358 I359 P365	D270-R361 IonicContact OD1-NH2 3.05Å; D270-R361 IonicContact OD2-CZ 3.31Å; D270-R361 IonicContact OD2-NE 2.76Å; D270-R361 IonicContact OD2-NH2 3.71Å; D270-R361 PolarHBondContact OD2-NH2 3.35Å; L273-R361 HydrophobicContact CD2-CB 3.9Å; D357-R361 WeakPolarHBondContact O-CG 3.24Å; D357-R361 PolarHBondContact O-N 2.97Å; L358-R361 WeakPolarHBondContact O-CB 3.3Å; L358-R361 PolarHBondContact O-N 3.18Å; I359-R361 VanDerWaalsContact C-N 3.25Å; I359-R361 PolarHBondContact O-N 3.1Å; R361-P365 WeakPolarHBondContact O-CD 3.31Å
362	T	97.8	Very high	97	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-79	-19.8	179.3	72	0	0	0	0	113.5	Y243 L245 F250 L273 I359 R360 P365 C366	Y243-T362 WeakPolarHBondContact OH-CB 3.09Å; Y243-T362 WeakPolarHBondContact OH-CG2 3.02Å; Y243-T362 PolarHBondContact OH-OG1 3.45Å; L245-T362 HydrophobicContact CD1-CG2 4.32Å; F250-T362 HydrophobicContact CD1-CG2 3.97Å; F250-T362 HydrophobicContact CD2-CG2 4.13Å; F250-T362 VanDerWaalsContact CE1-CA 3.45Å; F250-T362 HydrophobicContact CE1-CG2 4.06Å; F250-T362 WeakPolarHBondContact CE1-O 3.43Å; F250-T362 HydrophobicContact CE2-CG2 4.26Å; F250-T362 HydrophobicContact CG-CG2 4.01Å; F250-T362 HydrophobicContact CZ-CG2 4.23Å; L273-T362 HydrophobicContact CD2-CG2 3.77Å; I359-T362 PolarHBondContact O-N 2.9Å; I359-T362 PolarHBondContact O-OG1 2.92Å; R360-T362 PolarHBondContact O-N 3.05Å; T362-P365 WeakPolarHBondContact O-CD 3.4Å; T362-C366 PolarHBondContact O-SG 2.85Å
363	V	97.8	Very high	96.8	Very high	32 Å²	32	46.7 Å²	46.7	19%	0.194	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-44.8	-175.2	176.2	0	0	0	0	112.3	R360 C366 Q367 T398 L402	R360-V363 PolarHBondContact O-N 3.26Å; V363-C366 WeakPolarHBondContact O-CB 3.28Å; V363-C366 PolarHBondContact O-N 3.02Å; V363-Q367 HydrophobicContact CG1-CG 4.4Å; V363-Q367 WeakPolarHBondContact O-CG 3.34Å; V363-Q367 PolarHBondContact O-N 2.94Å; V363-T398 HydrophobicContact CG2-CG2 3.83Å; V363-L402 HydrophobicContact CG1-CD1 4.09Å
364	A	96.4	Very high	96.7	Very high	45 Å²	45	52.9 Å²	52.9	37%	0.372	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-43.3	-175.3	0	0	0	0	0	113.2	C366 Q367 K368	A364-C366 VanDerWaalsContact C-N 3.29Å; A364-C366 PolarHBondContact O-N 3.4Å; A364-Q367 PolarHBondContact O-N 3.44Å; A364-K368 WeakPolarHBondContact O-CG 3.3Å; A364-K368 PolarHBondContact O-N 2.86Å
365	P	95.8	Very high	96.6	Very high	13 Å²	13	52.4 Å²	52.4	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-57.2	-39.8	171.5	-26.3	34	0	0	0	113.2	F250 I252 N268 R361 T362 K368 A369	F250-P365 HydrophobicContact CD1-CG 4.35Å; F250-P365 HydrophobicContact CE1-CB 3.85Å; F250-P365 HydrophobicContact CE1-CG 3.94Å; I252-P365 HydrophobicContact CG2-CB 3.91Å; N268-P365 HydrophobicContact CB-CB 4.12Å; N268-P365 WeakPolarHBondContact OD1-CB 3.42Å; R361-P365 WeakPolarHBondContact O-CD 3.31Å; T362-P365 WeakPolarHBondContact O-CD 3.4Å; P365-K368 PolarHBondContact O-N 2.92Å; P365-A369 WeakPolarHBondContact O-CB 3.47Å; P365-A369 PolarHBondContact O-N 2.78Å
366	C	97.3	Very high	96.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-41.2	178.4	-65.1	0	0	0	0	113	I252 T362 V363 A364 K368 A369 M370 L402 F403	I252-C366 HydrophobicContact CG1-CB 4.22Å; T362-C366 PolarHBondContact O-SG 2.85Å; V363-C366 WeakPolarHBondContact O-CB 3.28Å; V363-C366 PolarHBondContact O-N 3.02Å; A364-C366 VanDerWaalsContact C-N 3.29Å; A364-C366 PolarHBondContact O-N 3.4Å; C366-K368 VanDerWaalsContact C-N 3.33Å; C366-A369 PolarHBondContact O-N 2.94Å; C366-M370 PolarHBondContact O-N 2.76Å; C366-L402 HydrophobicContact CB-CD2 3.4Å; C366-L402 VanDerWaalsContact CB-CD2 3.4Å; C366-F403 HydrophobicContact CB-CZ 4.18Å
367	Q	97	Very high	96.2	Very high	107 Å²	107	59.7 Å²	59.7	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-43.1	174.8	-70.2	175.2	-21.3	0	0	111.1	V363 A364 M370 Q371 L402	V363-Q367 HydrophobicContact CG1-CG 4.4Å; V363-Q367 WeakPolarHBondContact O-CG 3.34Å; V363-Q367 PolarHBondContact O-N 2.94Å; A364-Q367 PolarHBondContact O-N 3.44Å; Q367-M370 PolarHBondContact O-N 3.06Å; Q367-Q371 WeakPolarHBondContact O-CB 3.43Å; Q367-Q371 PolarHBondContact O-N 3.17Å; Q367-L402 HydrophobicContact CG-CD1 4.07Å
368	K	94.7	Very high	96.1	Very high	102 Å²	102	59.5 Å²	59.5	44%	0.443	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-41.9	175.4	-71.8	175.6	-178.7	178.9	0	112.2	A364 P365 C366 Q371 D372	A364-K368 WeakPolarHBondContact O-CG 3.3Å; A364-K368 PolarHBondContact O-N 2.86Å; P365-K368 PolarHBondContact O-N 2.92Å; C366-K368 VanDerWaalsContact C-N 3.33Å; K368-Q371 PolarHBondContact O-N 2.8Å; K368-D372 WeakPolarHBondContact O-CB 3.34Å; K368-D372 VanDerWaalsContact O-CG 3.27Å; K368-D372 PolarHBondContact O-N 2.91Å
369	A	95.3	Very high	96	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-44.4	177.4	0	0	0	0	0	111.6	I252 V254 S266 N268 P365 C366 Q371 D372 A373	I252-A369 HydrophobicContact CG1-CB 4.08Å; I252-A369 HydrophobicContact CG2-CB 4.04Å; V254-A369 HydrophobicContact CG2-CB 4.24Å; S266-A369 WeakPolarHBondContact CB-O 3.32Å; S266-A369 PolarHBondContact OG-O 3.43Å; N268-A369 HydrophobicContact CB-CB 4.21Å; P365-A369 WeakPolarHBondContact O-CB 3.47Å; P365-A369 PolarHBondContact O-N 2.78Å; C366-A369 PolarHBondContact O-N 2.94Å; A369-Q371 PolarHBondContact O-N 3.45Å; A369-D372 PolarHBondContact O-N 2.86Å; A369-A373 WeakPolarHBondContact O-CB 3.14Å; A369-A373 PolarHBondContact O-N 2.66Å
370	M	96.4	Very high	95.9	Very high	20 Å²	20	63.3 Å²	63.3	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-42.4	174.2	-72.4	-173.3	-68.8	0	0	112.1	C366 Q367 A373 E374 V375 K377 I380 L402 F403	C366-M370 PolarHBondContact O-N 2.76Å; Q367-M370 PolarHBondContact O-N 3.06Å; M370-A373 PolarHBondContact O-N 2.83Å; M370-E374 PolarHBondContact O-N 3.44Å; M370-V375 HydrophobicContact CB-CG2 4.21Å; M370-V375 HydrophobicContact CG-CG2 4.33Å; M370-V375 PolarHBondContact O-N 3.2Å; M370-K377 HydrophobicContact SD-CB 4.5Å; M370-I380 HydrophobicContact SD-CG1 4.45Å; M370-L402 HydrophobicContact CE-CD1 4.4Å; M370-F403 HydrophobicContact CE-CE1 4.2Å; M370-F403 HydrophobicContact CG-CE1 4.21Å; M370-F403 HydrophobicContact SD-CD1 3.86Å; M370-F403 HydrophobicContact SD-CE1 3.69Å
371	Q	95.9	Very high	95.7	Very high	146 Å²	146	55.8 Å²	55.8	68%	0.682	30%	0.3	S	S	*	.	H	α-helix	trans	-62.1	-47.4	176.8	-176.7	179.7	15.2	0	0	112	Q367 K368 A369 A373 E374	Q367-Q371 WeakPolarHBondContact O-CB 3.43Å; Q367-Q371 PolarHBondContact O-N 3.17Å; K368-Q371 PolarHBondContact O-N 2.8Å; A369-Q371 PolarHBondContact O-N 3.45Å; Q371-A373 VanDerWaalsContact C-N 3.29Å; Q371-A373 PolarHBondContact O-N 2.84Å; Q371-E374 PolarHBondContact O-N 2.89Å
372	D	92.8	Very high	95.6	Very high	42 Å²	42	52.9 Å²	52.9	23%	0.225	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-31.2	-180	-76.1	-5.7	0	0	0	112.4	K368 A369 R460 N461	K368-D372 WeakPolarHBondContact O-CB 3.34Å; K368-D372 VanDerWaalsContact O-CG 3.27Å; K368-D372 PolarHBondContact O-N 2.91Å; A369-D372 PolarHBondContact O-N 2.86Å; D372-R460 IonicContact OD1-CZ 2.74Å; D372-R460 IonicContact OD1-NE 3.81Å; D372-R460 IonicContact OD1-NH2 2.82Å; D372-R460 PolarHBondContact OD1-NH2 2.93Å; D372-R460 IonicContact OD2-CZ 3.85Å; D372-R460 IonicContact OD2-NE 2.81Å; D372-R460 PolarHBondContact OD2-NE 3.18Å; D372-R460 IonicContact OD2-NH2 2.78Å; D372-R460 PolarHBondContact OD2-NH2 2.82Å; D372-N461 WeakPolarHBondContact CB-ND2 3.43Å; D372-N461 PolarHBondContact OD2-ND2 2.74Å
373	A	94.9	Very high	95.6	Very high	13 Å²	13	52.9 Å²	52.9	11%	0.107	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.2	173.7	0	0	0	0	0	113.1	V254 K265 S266 A369 M370 Q371 V375	V254-A373 HydrophobicContact CB-CB 3.95Å; V254-A373 HydrophobicContact CG1-CB 3.85Å; V254-A373 HydrophobicContact CG2-CB 4.37Å; K265-A373 HydrophobicContact CB-CB 3.68Å; S266-A373 WeakPolarHBondContact OG-CB 3.39Å; A369-A373 WeakPolarHBondContact O-CB 3.14Å; A369-A373 PolarHBondContact O-N 2.66Å; M370-A373 PolarHBondContact O-N 2.83Å; Q371-A373 VanDerWaalsContact C-N 3.29Å; Q371-A373 PolarHBondContact O-N 2.84Å; A373-V375 HydrophobicContact CB-CG1 4.38Å; A373-V375 HydrophobicContact CB-CG2 3.93Å; A373-V375 PolarHBondContact O-N 3.16Å
374	E	96	Very high	95.6	Very high	185 Å²	185	51.3 Å²	51.3	86%	0.864	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35	-176.2	-56.3	-176.8	177.1	0	0	113.3	M370 Q371	M370-E374 PolarHBondContact O-N 3.44Å; Q371-E374 PolarHBondContact O-N 2.89Å
375	V	95.7	Very high	95.7	Very high	23 Å²	23	49.9 Å²	49.9	14%	0.139	27%	0.266	C	S	.	.			trans	-116.4	146.9	179.9	-61.9	0	0	0	0	112	I239 V254 M370 A373 D379 I380	I239-V375 HydrophobicContact CD1-CG1 3.91Å; V254-V375 HydrophobicContact CG1-CG2 4.07Å; M370-V375 HydrophobicContact CB-CG2 4.21Å; M370-V375 HydrophobicContact CG-CG2 4.33Å; M370-V375 PolarHBondContact O-N 3.2Å; A373-V375 HydrophobicContact CB-CG1 4.38Å; A373-V375 HydrophobicContact CB-CG2 3.93Å; A373-V375 PolarHBondContact O-N 3.16Å; V375-D379 HydrophobicContact CB-CB 4.18Å; V375-I380 HydrophobicContact CG2-CD1 3.91Å
376	S	94.9	Very high	95.8	Very high	61 Å²	61	49.3 Å²	49.3	43%	0.427	26%	0.263	S	S	.	.			trans	-89.5	164.4	168.7	79.8	0	0	0	0	111.1	G378 D379	S376-G378 PolarHBondContact O-N 3.43Å; S376-G378 VanDerWaalsContact O-N 3.09Å; S376-G378 PolarHBondContact OG-N 3.14Å; S376-D379 WeakPolarHBondContact CA-OD2 3.5Å; S376-D379 VanDerWaalsContact CB-OD2 3.26Å; S376-D379 WeakPolarHBondContact CB-OD2 3.5Å; S376-D379 PolarHBondContact N-OD2 2.88Å; S376-D379 PolarHBondContact O-N 3.39Å; S376-D379 PolarHBondContact OG-OD2 3.08Å
377	K	94	Very high	95.7	Very high	131 Å²	131	49.8 Å²	49.8	57%	0.57	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27	172.2	66.5	178.2	-177.3	177.7	0	113.6	M370 D379	M370-K377 HydrophobicContact SD-CB 4.5Å; K377-D379 VanDerWaalsContact C-N 3.35Å
378	G	94.4	Very high	95.6	Very high	60 Å²	60	46.3 Å²	46.3	62%	0.619	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-25.1	179.5	0	0	0	0	0	113.3	S376	S376-G378 PolarHBondContact O-N 3.43Å; S376-G378 VanDerWaalsContact O-N 3.09Å; S376-G378 PolarHBondContact OG-N 3.14Å
379	D	95.7	Very high	95.8	Very high	86 Å²	86	42 Å²	42	46%	0.46	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.3	-180	-53.6	-51.4	0	0	0	111.6	I239 V375 S376 K377 G381	I239-D379 HydrophobicContact CD1-CB 4.49Å; V375-D379 HydrophobicContact CB-CB 4.18Å; S376-D379 WeakPolarHBondContact CA-OD2 3.5Å; S376-D379 VanDerWaalsContact CB-OD2 3.26Å; S376-D379 WeakPolarHBondContact CB-OD2 3.5Å; S376-D379 PolarHBondContact N-OD2 2.88Å; S376-D379 PolarHBondContact O-N 3.39Å; S376-D379 PolarHBondContact OG-OD2 3.08Å; K377-D379 VanDerWaalsContact C-N 3.35Å; D379-G381 PolarHBondContact O-N 3.37Å
380	I	96.6	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	107.2	174.3	-55.8	-57.7	0	0	0	109.2	I239 A241 V254 M370 V375 E382 V383 F403 R405	I239-I380 HydrophobicContact CG2-CD1 3.8Å; A241-I380 HydrophobicContact CB-CD1 4.47Å; A241-I380 HydrophobicContact CB-CG2 3.95Å; V254-I380 HydrophobicContact CG1-CD1 4.05Å; M370-I380 HydrophobicContact SD-CG1 4.45Å; V375-I380 HydrophobicContact CG2-CD1 3.91Å; I380-E382 VanDerWaalsContact CG2-O 3.3Å; I380-E382 WeakPolarHBondContact CG2-O 3.38Å; I380-V383 HydrophobicContact CG2-CG2 3.86Å; I380-F403 HydrophobicContact CG1-CD1 4.26Å; I380-F403 HydrophobicContact CG2-CD1 4.44Å; I380-R405 PolarHBondContact O-NE 3.28Å; I380-R405 PolarHBondContact O-NH2 3.49Å
381	G	94.1	Very high	96	Very high	16 Å²	16	46.5 Å²	46.5	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-20.1	-178.6	0	0	0	0	0	114.3	K238 I239 D379 R405	K238-G381 WeakPolarHBondContact CE-O 3.29Å; I239-G381 WeakPolarHBondContact O-CA 3.47Å; I239-G381 PolarHBondContact O-N 3.32Å; D379-G381 PolarHBondContact O-N 3.37Å; G381-R405 VanDerWaalsContact C-CZ 3.42Å; G381-R405 PolarHBondContact O-NH1 2.79Å; G381-R405 PolarHBondContact O-NH2 2.68Å
382	E	95.3	Very high	96.1	Very high	28 Å²	28	39.7 Å²	39.7	13%	0.131	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	150.5	173.3	-158.6	152.7	161.1	0	0	112	Y230 K238 I239 I240 A241 I380 L384 S408	Y230-E382 VanDerWaalsContact CE2-OE1 3.24Å; Y230-E382 WeakPolarHBondContact CE2-OE1 3.21Å; Y230-E382 PolarHBondContact OH-OE2 3.42Å; K238-E382 HydrophobicContact CD-CB 3.94Å; K238-E382 IonicContact NZ-OE2 2.83Å; K238-E382 PolarHBondContact NZ-OE2 3.21Å; I239-E382 PolarHBondContact O-N 2.86Å; I240-E382 CarbonylContact C-O 3.34Å; I240-E382 VanDerWaalsContact CA-O 3.29Å; I240-E382 WeakPolarHBondContact CA-O 3.34Å; I240-E382 HydrophobicContact CG2-CB 3.96Å; A241-E382 PolarHBondContact N-O 3.35Å; I380-E382 VanDerWaalsContact CG2-O 3.3Å; I380-E382 WeakPolarHBondContact CG2-O 3.38Å; E382-L384 HydrophobicContact CG-CD2 4.14Å; E382-S408 WeakPolarHBondContact OE1-CB 3.47Å; E382-S408 PolarHBondContact OE1-OG 3.43Å
383	V	97.1	Very high	96.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.4	174.7	-179.9	0	0	0	0	108	A241 I380 V399 F403 R405 S408	A241-V383 HydrophobicContact CB-CG2 4.31Å; A241-V383 CarbonylContact O-C 3.49Å; A241-V383 VanDerWaalsContact O-CA 3.31Å; A241-V383 WeakPolarHBondContact O-CA 3.25Å; I380-V383 HydrophobicContact CG2-CG2 3.86Å; V383-V399 HydrophobicContact CG1-CG1 3.55Å; V383-F403 HydrophobicContact CG1-CD2 4.09Å; V383-F403 HydrophobicContact CG1-CE2 4.28Å; V383-F403 HydrophobicContact CG2-CB 3.72Å; V383-F403 HydrophobicContact CG2-CD1 4.17Å; V383-F403 HydrophobicContact CG2-CD2 3.87Å; V383-F403 HydrophobicContact CG2-CG 3.65Å; V383-R405 HydrophobicContact CG2-CG 4.49Å; V383-S408 WeakPolarHBondContact O-CB 3.15Å; V383-S408 PolarHBondContact O-N 2.97Å
384	L	97.4	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.1	178.1	-53.6	-175	0	0	0	109.1	Y230 I240 A241 V242 Y243 E382 V411	Y230-L384 VanDerWaalsContact CB-CD1 3.49Å; Y230-L384 HydrophobicContact CD1-CD1 4.03Å; Y230-L384 HydrophobicContact CD2-CD1 4.02Å; Y230-L384 HydrophobicContact CD2-CD2 3.66Å; Y230-L384 HydrophobicContact CE2-CD2 3.96Å; Y230-L384 HydrophobicContact CG-CD1 3.56Å; Y230-L384 HydrophobicContact CG-CD2 4.08Å; Y230-L384 HydrophobicContact CG-CG 4.46Å; I240-L384 HydrophobicContact CD1-CD1 3.83Å; A241-L384 PolarHBondContact O-N 3.32Å; V242-L384 HydrophobicContact CG2-CB 4.37Å; V242-L384 HydrophobicContact CG2-CD1 4.15Å; Y243-L384 PolarHBondContact N-O 3.05Å; E382-L384 HydrophobicContact CG-CD2 4.14Å; L384-V411 HydrophobicContact CB-CG2 4.29Å; L384-V411 HydrophobicContact CD2-CG2 4.37Å
385	L	97.9	Very high	96.5	Very high	15 Å²	15	34 Å²	34	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.8	172.4	-64.3	179.5	0	0	0	109.3	Y243 T390 Q396 V399 P407	Y243-L385 HydrophobicContact CD1-CD2 4.04Å; Y243-L385 HydrophobicContact CG-CD2 4.34Å; L385-T390 HydrophobicContact CB-CG2 4.27Å; L385-T390 HydrophobicContact CD2-CG2 4.31Å; L385-Q396 HydrophobicContact CD1-CG 3.79Å; L385-V399 HydrophobicContact CD2-CB 4.41Å; L385-V399 HydrophobicContact CD2-CG1 4.05Å; L385-V399 HydrophobicContact CD2-CG2 4.07Å; L385-P407 HydrophobicContact CD1-CB 3.61Å; L385-P407 HydrophobicContact CD1-CG 3.97Å; L385-P407 HydrophobicContact CD2-CB 4.17Å; L385-P407 HydrophobicContact CD2-CG 4.4Å; L385-P407 HydrophobicContact CG-CB 3.61Å; L385-P407 HydrophobicContact CG-CG 4.25Å
386	V	97.6	Very high	96.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.2	179.6	-175.1	0	0	0	0	108.7	A226 V242 Y243 D244 L245 T390 V417	A226-V386 HydrophobicContact CB-CG1 4.27Å; A226-V386 HydrophobicContact CB-CG2 3.5Å; V242-V386 HydrophobicContact CG1-CG2 3.7Å; Y243-V386 PolarHBondContact O-N 2.79Å; D244-V386 WeakPolarHBondContact CA-O 3.42Å; D244-V386 HydrophobicContact CB-CB 3.98Å; D244-V386 HydrophobicContact CB-CG1 4.37Å; D244-V386 WeakPolarHBondContact OD2-CG1 3.23Å; L245-V386 PolarHBondContact N-O 3.46Å; V386-T390 WeakPolarHBondContact O-CG2 3.4Å; V386-V417 HydrophobicContact CG1-CG2 3.37Å
387	G	96.5	Very high	96.8	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	21%	0.207	C	C	.	.	S	Bend	trans	85.5	136.4	-178.8	0	0	0	0	0	113.1	L245 M389 T390 P413	L245-G387 CarbonylContact O-C 3.58Å; L245-G387 WeakPolarHBondContact O-CA 3.15Å; G387-M389 PolarHBondContact O-N 3.25Å; G387-T390 WeakPolarHBondContact O-CB 3.49Å; G387-T390 PolarHBondContact O-N 2.69Å; G387-T390 PolarHBondContact O-OG1 2.88Å; G387-P413 PolarHBondContact N-O 3.14Å
388	G	95.4	Very high	97	Very high	34 Å²	34	32.6 Å²	32.6	35%	0.351	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-59.6	-23.7	-171.8	0	0	0	0	0	115.1	T390 R391	G388-T390 PolarHBondContact O-N 3.18Å; G388-R391 VanDerWaalsContact O-CB 3.27Å; G388-R391 WeakPolarHBondContact O-CB 3.42Å; G388-R391 VanDerWaalsContact O-CG 3.3Å; G388-R391 WeakPolarHBondContact O-CG 3.35Å; G388-R391 PolarHBondContact O-N 3.34Å; G388-R391 VanDerWaalsContact O-N 3.16Å
389	M	97.9	Very high	97.1	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.049	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-72.4	-18.2	179.4	-163.1	64.4	-96.1	0	0	112.3	L245 F278 K316 G387 R391 M392	L245-M389 HydrophobicContact CB-CB 4.42Å; L245-M389 HydrophobicContact CD2-CB 3.99Å; L245-M389 HydrophobicContact CD2-CG 3.73Å; L245-M389 HydrophobicContact CG-CB 3.85Å; L245-M389 HydrophobicContact CG-CG 4.03Å; L245-M389 VanDerWaalsContact O-CB 3.23Å; L245-M389 WeakPolarHBondContact O-CB 3.4Å; L245-M389 PolarHBondContact O-N 2.95Å; F278-M389 HydrophobicContact CB-SD 4.18Å; F278-M389 HydrophobicContact CD1-CE 4.24Å; F278-M389 HydrophobicContact CD1-SD 3.97Å; F278-M389 HydrophobicContact CD2-CG 4.3Å; F278-M389 HydrophobicContact CD2-SD 4.22Å; F278-M389 HydrophobicContact CE1-CG 4.46Å; F278-M389 HydrophobicContact CE1-SD 4.42Å; F278-M389 HydrophobicContact CE2-CG 4.21Å; F278-M389 HydrophobicContact CG-CG 4.48Å; F278-M389 HydrophobicContact CG-SD 3.88Å; F278-M389 HydrophobicContact CZ-CG 4.3Å; K316-M389 HydrophobicContact CD-CE 4.05Å; K316-M389 HydrophobicContact CD-SD 3.82Å; K316-M389 HydrophobicContact CG-CE 4.22Å; G387-M389 PolarHBondContact O-N 3.25Å; M389-R391 PolarHBondContact O-N 2.93Å; M389-M392 HydrophobicContact CE-CB 3.64Å; M389-M392 HydrophobicContact CE-CG 4.41Å; M389-M392 HydrophobicContact CE-SD 4.12Å; M389-M392 WeakPolarHBondContact O-CB 3.13Å; M389-M392 PolarHBondContact O-N 2.94Å
390	T	97.9	Very high	97.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-69.3	-9.2	171.5	66.7	0	0	0	0	113.8	Y243 L245 L385 V386 G387 G388 M392 Q396	Y243-T390 HydrophobicContact CD1-CG2 3.9Å; Y243-T390 HydrophobicContact CE1-CG2 4.1Å; L245-T390 HydrophobicContact CB-CG2 3.81Å; L385-T390 HydrophobicContact CB-CG2 4.27Å; L385-T390 HydrophobicContact CD2-CG2 4.31Å; V386-T390 WeakPolarHBondContact O-CG2 3.4Å; G387-T390 WeakPolarHBondContact O-CB 3.49Å; G387-T390 PolarHBondContact O-N 2.69Å; G387-T390 PolarHBondContact O-OG1 2.88Å; G388-T390 PolarHBondContact O-N 3.18Å; T390-M392 PolarHBondContact O-N 3.35Å; T390-Q396 WeakPolarHBondContact O-CG 3.42Å; T390-Q396 PolarHBondContact O-NE2 2.95Å
391	R	97.1	Very high	97.2	Very high	113 Å²	113	34.5 Å²	34.5	43%	0.426	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-69	-17.8	172.2	-63.7	178.8	173.6	-75.1	1.7	112.6	G388 M389 P393 D414	G388-R391 VanDerWaalsContact O-CB 3.27Å; G388-R391 WeakPolarHBondContact O-CB 3.42Å; G388-R391 VanDerWaalsContact O-CG 3.3Å; G388-R391 WeakPolarHBondContact O-CG 3.35Å; G388-R391 PolarHBondContact O-N 3.34Å; G388-R391 VanDerWaalsContact O-N 3.16Å; M389-R391 PolarHBondContact O-N 2.93Å; R391-P393 WeakPolarHBondContact O-CD 3.49Å; R391-D414 IonicContact CZ-OD2 3.88Å; R391-D414 VanDerWaalsContact CZ-OD2 3.32Å; R391-D414 IonicContact NE-OD2 3.6Å; R391-D414 PolarHBondContact NE-OD2 3.4Å; R391-D414 VanDerWaalsContact NE-OD2 3.16Å; R391-D414 IonicContact NH2-OD2 2.77Å; R391-D414 PolarHBondContact NH2-OD2 3.48Å
392	M	97.9	Very high	97.3	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.02	18%	0.179	C	C	.	.	S	Bend	trans	-65.3	123	176.8	-179.7	175.9	-174.7	0	0	111	F278 F351 E352 V355 I359 M389 T390 K394 V395 Q396	F278-M392 HydrophobicContact CD1-SD 4.21Å; F278-M392 HydrophobicContact CE1-SD 3.85Å; F351-M392 HydrophobicContact CD1-CE 3.72Å; F351-M392 HydrophobicContact CE1-CE 3.49Å; F351-M392 VanDerWaalsContact CE1-CE 3.49Å; F351-M392 HydrophobicContact CE1-SD 3.78Å; F351-M392 HydrophobicContact CZ-CE 4.39Å; F351-M392 HydrophobicContact CZ-SD 4.47Å; E352-M392 HydrophobicContact CB-CE 4.44Å; E352-M392 HydrophobicContact CG-CE 3.67Å; V355-M392 HydrophobicContact CG2-CE 3.69Å; V355-M392 HydrophobicContact CG2-SD 4.32Å; I359-M392 HydrophobicContact CD1-CE 3.85Å; I359-M392 HydrophobicContact CD1-SD 3.98Å; M389-M392 HydrophobicContact CE-CB 3.64Å; M389-M392 HydrophobicContact CE-CG 4.41Å; M389-M392 HydrophobicContact CE-SD 4.12Å; M389-M392 WeakPolarHBondContact O-CB 3.13Å; M389-M392 PolarHBondContact O-N 2.94Å; T390-M392 PolarHBondContact O-N 3.35Å; M392-K394 VanDerWaalsContact C-N 3.27Å; M392-K394 HydrophobicContact CE-CB 3.9Å; M392-K394 HydrophobicContact CG-CB 4.32Å; M392-K394 PolarHBondContact O-N 2.84Å; M392-K394 VanDerWaalsContact O-N 3.16Å; M392-V395 HydrophobicContact CB-CB 4.28Å; M392-V395 HydrophobicContact CB-CG2 3.93Å; M392-V395 HydrophobicContact CG-CG2 4.22Å; M392-V395 WeakPolarHBondContact O-CB 3.46Å; M392-V395 PolarHBondContact O-N 3.3Å; M392-V395 HydrophobicContact SD-CG2 4.08Å; M392-Q396 PolarHBondContact O-N 3.26Å
393	P	97.7	Very high	97.3	Very high	36 Å²	36	34 Å²	34	23%	0.234	17%	0.174	C	C	.	.	H	α-helix	trans	-54.6	-38.9	-177.8	-30.5	36.4	0	0	0	114.1	S320 R391 V395 Q396 Q397	S320-P393 WeakPolarHBondContact O-CG 3.49Å; R391-P393 WeakPolarHBondContact O-CD 3.49Å; P393-V395 VanDerWaalsContact C-N 3.32Å; P393-V395 PolarHBondContact O-N 3.25Å; P393-Q396 PolarHBondContact O-N 3.02Å; P393-Q397 PolarHBondContact O-N 3.47Å
394	K	98.2	Very high	97.2	Very high	84 Å²	84	36.8 Å²	36.8	37%	0.365	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-33.4	178.1	-170.5	59.9	178	176	0	113.5	E352 I359 M392 T398	E352-K394 HydrophobicContact CG-CB 3.81Å; E352-K394 HydrophobicContact CG-CG 4.1Å; I359-K394 HydrophobicContact CD1-CB 3.99Å; I359-K394 HydrophobicContact CD1-CG 3.64Å; M392-K394 VanDerWaalsContact C-N 3.27Å; M392-K394 HydrophobicContact CE-CB 3.9Å; M392-K394 HydrophobicContact CG-CB 4.32Å; M392-K394 PolarHBondContact O-N 2.84Å; M392-K394 VanDerWaalsContact O-N 3.16Å; K394-T398 WeakPolarHBondContact O-CB 3.37Å; K394-T398 PolarHBondContact O-N 2.98Å; K394-T398 PolarHBondContact O-OG1 3.07Å
395	V	98.1	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-47.5	173.9	174.5	0	0	0	0	109.2	Y243 L245 I359 M392 P393 Q397 T398 V399	Y243-V395 HydrophobicContact CE1-CG1 3.77Å; L245-V395 HydrophobicContact CD2-CG1 4.2Å; L245-V395 HydrophobicContact CD2-CG2 4.17Å; I359-V395 HydrophobicContact CD1-CG2 4.21Å; I359-V395 HydrophobicContact CG1-CG2 4.17Å; M392-V395 HydrophobicContact CB-CB 4.28Å; M392-V395 HydrophobicContact CB-CG2 3.93Å; M392-V395 HydrophobicContact CG-CG2 4.22Å; M392-V395 WeakPolarHBondContact O-CB 3.46Å; M392-V395 PolarHBondContact O-N 3.3Å; M392-V395 HydrophobicContact SD-CG2 4.08Å; P393-V395 VanDerWaalsContact C-N 3.32Å; P393-V395 PolarHBondContact O-N 3.25Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 3.45Å; V395-T398 WeakPolarHBondContact O-CB 3.42Å; V395-T398 PolarHBondContact O-N 3.38Å; V395-T398 VanDerWaalsContact O-N 3.13Å; V395-V399 HydrophobicContact CG1-CG2 4.45Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 2.93Å
396	Q	97.9	Very high	97	Very high	78 Å²	78	43.7 Å²	43.7	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-59.7	-42.6	177.6	-58.5	-175.1	-1.4	0	0	112.4	L385 T390 M392 P393 V399 Q400	L385-Q396 HydrophobicContact CD1-CG 3.79Å; T390-Q396 WeakPolarHBondContact O-CG 3.42Å; T390-Q396 PolarHBondContact O-NE2 2.95Å; M392-Q396 PolarHBondContact O-N 3.26Å; P393-Q396 PolarHBondContact O-N 3.02Å; Q396-V399 PolarHBondContact O-N 2.85Å; Q396-Q400 WeakPolarHBondContact O-CB 3.43Å; Q396-Q400 PolarHBondContact O-N 3.45Å
397	Q	98	Very high	96.9	Very high	85 Å²	85	44.8 Å²	44.8	40%	0.397	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-45.4	174.9	-174.3	63.4	52.8	0	0	111.3	P393 V395 V399 Q400 D401	P393-Q397 PolarHBondContact O-N 3.47Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 3.45Å; Q397-V399 VanDerWaalsContact C-N 3.31Å; Q397-V399 PolarHBondContact O-N 3.31Å; Q397-Q400 WeakPolarHBondContact O-CB 3.36Å; Q397-Q400 PolarHBondContact O-N 2.98Å; Q397-Q400 VanDerWaalsContact O-N 3.16Å; Q397-D401 PolarHBondContact NE2-OD1 3.14Å; Q397-D401 WeakPolarHBondContact O-CB 3.41Å; Q397-D401 PolarHBondContact O-N 2.68Å
398	T	97.9	Very high	96.7	Very high	23 Å²	23	45.6 Å²	45.6	14%	0.141	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-41.7	179	-57	0	0	0	0	111.3	I359 V363 K394 V395 D401 L402	I359-T398 HydrophobicContact CG2-CG2 4Å; I359-T398 WeakPolarHBondContact CG2-OG1 3.38Å; V363-T398 HydrophobicContact CG2-CG2 3.83Å; K394-T398 WeakPolarHBondContact O-CB 3.37Å; K394-T398 PolarHBondContact O-N 2.98Å; K394-T398 PolarHBondContact O-OG1 3.07Å; V395-T398 WeakPolarHBondContact O-CB 3.42Å; V395-T398 PolarHBondContact O-N 3.38Å; V395-T398 VanDerWaalsContact O-N 3.13Å; T398-D401 PolarHBondContact O-N 2.9Å; T398-L402 WeakPolarHBondContact O-CB 3.45Å; T398-L402 PolarHBondContact O-N 2.98Å
399	V	97.4	Very high	96.4	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-44.1	174.6	174.7	0	0	0	0	110.6	Y243 V383 L385 V395 Q396 Q397 D401 L402 F403 P407	Y243-V399 HydrophobicContact CD1-CG2 4Å; Y243-V399 HydrophobicContact CD2-CG2 3.73Å; Y243-V399 HydrophobicContact CE1-CG2 3.97Å; Y243-V399 HydrophobicContact CE2-CG2 3.68Å; Y243-V399 HydrophobicContact CG-CG2 3.88Å; V383-V399 HydrophobicContact CG1-CG1 3.55Å; L385-V399 HydrophobicContact CD2-CB 4.41Å; L385-V399 HydrophobicContact CD2-CG1 4.05Å; L385-V399 HydrophobicContact CD2-CG2 4.07Å; V395-V399 HydrophobicContact CG1-CG2 4.45Å; V395-V399 WeakPolarHBondContact O-CG2 3.43Å; V395-V399 PolarHBondContact O-N 2.93Å; Q396-V399 PolarHBondContact O-N 2.85Å; Q397-V399 VanDerWaalsContact C-N 3.31Å; Q397-V399 PolarHBondContact O-N 3.31Å; V399-D401 PolarHBondContact O-N 2.91Å; V399-L402 PolarHBondContact O-N 3.46Å; V399-F403 HydrophobicContact CG1-CD2 3.7Å; V399-F403 HydrophobicContact CG1-CE2 4.01Å; V399-F403 VanDerWaalsContact O-CD2 3.31Å; V399-F403 WeakPolarHBondContact O-CD2 3.3Å; V399-F403 PolarHBondContact O-N 3.15Å; V399-P407 HydrophobicContact CB-CG 4.28Å; V399-P407 HydrophobicContact CG1-CG 3.82Å
400	Q	97.4	Very high	95.9	Very high	79 Å²	79	56 Å²	56	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-44.3	177.5	180	170.9	2.7	0	0	112.4	Q396 Q397 L402 G404 R405	Q396-Q400 WeakPolarHBondContact O-CB 3.43Å; Q396-Q400 PolarHBondContact O-N 3.45Å; Q397-Q400 WeakPolarHBondContact O-CB 3.36Å; Q397-Q400 PolarHBondContact O-N 2.98Å; Q397-Q400 VanDerWaalsContact O-N 3.16Å; Q400-L402 VanDerWaalsContact C-N 3.3Å; Q400-L402 PolarHBondContact O-N 3.41Å; Q400-G404 VanDerWaalsContact O-CA 3.24Å; Q400-G404 WeakPolarHBondContact O-CA 3.49Å; Q400-G404 PolarHBondContact O-N 3Å; Q400-R405 WeakPolarHBondContact CA-O 3.34Å; Q400-R405 PolarHBondContact O-N 3.2Å
401	D	96.4	Very high	95.5	Very high	106 Å²	106	56.9 Å²	56.9	57%	0.567	30%	0.302	S	S	*	.	H	α-helix	trans	-63.8	-38.6	177.9	-65	-20.1	0	0	0	111.1	Q397 T398 V399	Q397-D401 PolarHBondContact NE2-OD1 3.14Å; Q397-D401 WeakPolarHBondContact O-CB 3.41Å; Q397-D401 PolarHBondContact O-N 2.68Å; T398-D401 PolarHBondContact O-N 2.9Å; V399-D401 PolarHBondContact O-N 2.91Å
402	L	96.1	Very high	95.4	Very high	28 Å²	28	54.4 Å²	54.4	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-70	-48.6	-177.8	179.8	61.5	0	0	0	113.1	V363 C366 Q367 M370 T398 V399 Q400	V363-L402 HydrophobicContact CG1-CD1 4.09Å; C366-L402 HydrophobicContact CB-CD2 3.4Å; C366-L402 VanDerWaalsContact CB-CD2 3.4Å; Q367-L402 HydrophobicContact CG-CD1 4.07Å; M370-L402 HydrophobicContact CE-CD1 4.4Å; T398-L402 WeakPolarHBondContact O-CB 3.45Å; T398-L402 PolarHBondContact O-N 2.98Å; V399-L402 PolarHBondContact O-N 3.46Å; Q400-L402 VanDerWaalsContact C-N 3.3Å; Q400-L402 PolarHBondContact O-N 3.41Å
403	F	96.1	Very high	95.3	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-92.6	-7.5	-177.2	-65	-76.7	0	0	0	113	A241 I252 C366 M370 I380 V383 V399 R405	A241-F403 HydrophobicContact CB-CD1 4.41Å; A241-F403 HydrophobicContact CB-CE1 3.81Å; A241-F403 HydrophobicContact CB-CZ 4Å; I252-F403 HydrophobicContact CD1-CZ 4.1Å; C366-F403 HydrophobicContact CB-CZ 4.18Å; M370-F403 HydrophobicContact CE-CE1 4.2Å; M370-F403 HydrophobicContact CG-CE1 4.21Å; M370-F403 HydrophobicContact SD-CD1 3.86Å; M370-F403 HydrophobicContact SD-CE1 3.69Å; I380-F403 HydrophobicContact CG1-CD1 4.26Å; I380-F403 HydrophobicContact CG2-CD1 4.44Å; V383-F403 HydrophobicContact CG1-CD2 4.09Å; V383-F403 HydrophobicContact CG1-CE2 4.28Å; V383-F403 HydrophobicContact CG2-CB 3.72Å; V383-F403 HydrophobicContact CG2-CD1 4.17Å; V383-F403 HydrophobicContact CG2-CD2 3.87Å; V383-F403 HydrophobicContact CG2-CG 3.65Å; V399-F403 HydrophobicContact CG1-CD2 3.7Å; V399-F403 HydrophobicContact CG1-CE2 4.01Å; V399-F403 VanDerWaalsContact O-CD2 3.31Å; V399-F403 WeakPolarHBondContact O-CD2 3.3Å; V399-F403 PolarHBondContact O-N 3.15Å; F403-R405 VanDerWaalsContact C-N 3.25Å; F403-R405 PolarHBondContact O-N 3.09Å
404	G	95.1	Very high	95.2	Very high	60 Å²	60	55.9 Å²	55.9	62%	0.619	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	24.1	-178	0	0	0	0	0	113.7	Q400	Q400-G404 VanDerWaalsContact O-CA 3.24Å; Q400-G404 WeakPolarHBondContact O-CA 3.49Å; Q400-G404 PolarHBondContact O-N 3Å
405	R	94.5	Very high	95.1	Very high	93 Å²	93	53.2 Å²	53.2	35%	0.351	29%	0.293	S	S	.	.	S	Bend	trans	-151	137.9	-166.3	158	-176.7	-58.3	-96.8	6.8	110.5	I380 G381 V383 Q400 F403	I380-R405 PolarHBondContact O-NE 3.28Å; I380-R405 PolarHBondContact O-NH2 3.49Å; G381-R405 VanDerWaalsContact C-CZ 3.42Å; G381-R405 PolarHBondContact O-NH1 2.79Å; G381-R405 PolarHBondContact O-NH2 2.68Å; V383-R405 HydrophobicContact CG2-CG 4.49Å; Q400-R405 WeakPolarHBondContact CA-O 3.34Å; Q400-R405 PolarHBondContact O-N 3.2Å; F403-R405 VanDerWaalsContact C-N 3.25Å; F403-R405 PolarHBondContact O-N 3.09Å
406	A	95.3	Very high	95.1	Very high	67 Å²	67	53.3 Å²	53.3	55%	0.554	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-64.2	129.9	171.8	0	0	0	0	0	110.2
407	P	95.6	Very high	95.1	Very high	23 Å²	23	49.8 Å²	49.8	15%	0.149	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-62.1	148.4	175.6	-19	30.4	0	0	0	112	L385 V399	L385-P407 HydrophobicContact CD1-CB 3.61Å; L385-P407 HydrophobicContact CD1-CG 3.97Å; L385-P407 HydrophobicContact CD2-CB 4.17Å; L385-P407 HydrophobicContact CD2-CG 4.4Å; L385-P407 HydrophobicContact CG-CB 3.61Å; L385-P407 HydrophobicContact CG-CG 4.25Å; V399-P407 HydrophobicContact CB-CG 4.28Å; V399-P407 HydrophobicContact CG1-CG 3.82Å
408	S	93	Very high	95.1	Very high	27 Å²	27	45.7 Å²	45.7	19%	0.189	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-70.6	148.7	-179.5	-168.6	0	0	0	0	112	E382 V383 S410	E382-S408 WeakPolarHBondContact OE1-CB 3.47Å; E382-S408 PolarHBondContact OE1-OG 3.43Å; V383-S408 WeakPolarHBondContact O-CB 3.15Å; V383-S408 PolarHBondContact O-N 2.97Å; S408-S410 WeakPolarHBondContact OG-CB 3.46Å; S408-S410 PolarHBondContact OG-N 3.2Å; S408-S410 PolarHBondContact OG-OG 2.74Å
409	K	89.3	Confident	95.1	Very high	203 Å²	203	46.5 Å²	46.5	88%	0.883	26%	0.262	S	S	*	.			trans	-107.6	11.8	172.2	-61	-175.4	179.5	-178.9	0	112.2	V411	K409-V411 VanDerWaalsContact C-N 3.26Å; K409-V411 PolarHBondContact O-N 2.55Å
410	S	87.3	Confident	95	Very high	60 Å²	60	46.5 Å²	46.5	42%	0.42	26%	0.261	S	S	.	.	S	Bend	trans	-76.3	-12.4	-175.3	62.9	0	0	0	0	114.1	Y230 S408	Y230-S410 VanDerWaalsContact CD2-OG 3.3Å; Y230-S410 WeakPolarHBondContact CD2-OG 3.42Å; Y230-S410 WeakPolarHBondContact CE2-OG 3.19Å; S408-S410 WeakPolarHBondContact OG-CB 3.46Å; S408-S410 PolarHBondContact OG-N 3.2Å; S408-S410 PolarHBondContact OG-OG 2.74Å
411	V	89.9	Confident	95	Very high	20 Å²	20	42.7 Å²	42.7	12%	0.121	24%	0.244	C	C	.	.	S	Bend	trans	-120.8	142.7	179.3	-66.4	0	0	0	0	110.3	Y230 L384 K409 A416	Y230-V411 HydrophobicContact CD2-CG1 4.26Å; L384-V411 HydrophobicContact CB-CG2 4.29Å; L384-V411 HydrophobicContact CD2-CG2 4.37Å; K409-V411 VanDerWaalsContact C-N 3.26Å; K409-V411 PolarHBondContact O-N 2.55Å; V411-A416 HydrophobicContact CB-CB 4.1Å
412	N	95.1	Very high	95.1	Very high	61 Å²	61	37.7 Å²	37.7	33%	0.326	22%	0.217	S	C	.	.			trans	-81.2	118.2	169.1	-179.5	-14.9	0	0	0	108.5	D414 E415 A416	N412-D414 PolarHBondContact O-N 2.93Å; N412-D414 VanDerWaalsContact O-N 3.12Å; N412-D414 PolarHBondContact OD1-N 2.81Å; N412-D414 VanDerWaalsContact OD1-N 3.11Å; N412-E415 HydrophobicContact CB-CB 4.14Å; N412-E415 VanDerWaalsContact ND2-CD 3.34Å; N412-E415 PolarHBondContact ND2-OE1 3.5Å; N412-E415 VanDerWaalsContact ND2-OE1 3.1Å; N412-E415 PolarHBondContact O-N 2.61Å; N412-A416 VanDerWaalsContact O-CB 3.29Å; N412-A416 WeakPolarHBondContact O-CB 3.37Å; N412-A416 PolarHBondContact O-N 2.94Å
413	P	95.1	Very high	95	Very high	22 Å²	22	36.5 Å²	36.5	14%	0.143	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.2	-173.8	26.4	-36.1	0	0	0	114	G387	G387-P413 PolarHBondContact N-O 3.14Å
414	D	95.1	Very high	95	Very high	50 Å²	50	36.4 Å²	36.4	27%	0.267	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-11.7	-178.6	-57.3	-49.7	0	0	0	113.1	T86 R391 N412	T86-D414 HydrophobicContact CG2-CB 4.44Å; R391-D414 IonicContact CZ-OD2 3.88Å; R391-D414 VanDerWaalsContact CZ-OD2 3.32Å; R391-D414 IonicContact NE-OD2 3.6Å; R391-D414 PolarHBondContact NE-OD2 3.4Å; R391-D414 VanDerWaalsContact NE-OD2 3.16Å; R391-D414 IonicContact NH2-OD2 2.77Å; R391-D414 PolarHBondContact NH2-OD2 3.48Å; N412-D414 PolarHBondContact O-N 2.93Å; N412-D414 VanDerWaalsContact O-N 3.12Å; N412-D414 PolarHBondContact OD1-N 2.81Å; N412-D414 VanDerWaalsContact OD1-N 3.11Å
415	E	97.1	Very high	94.9	Very high	28 Å²	28	33.6 Å²	33.6	13%	0.131	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-25.9	-172.5	-69.9	-177	-146.8	0	0	113.2	V77 R85 N412 V417 A418 I419	V77-E415 HydrophobicContact CG1-CG 4.28Å; V77-E415 HydrophobicContact CG2-CB 4.05Å; V77-E415 HydrophobicContact CG2-CG 4.21Å; R85-E415 IonicContact CZ-OE1 3.75Å; R85-E415 IonicContact CZ-OE2 2.79Å; R85-E415 VanDerWaalsContact NE-CD 3.34Å; R85-E415 IonicContact NE-OE1 3.38Å; R85-E415 PolarHBondContact NE-OE1 3.27Å; R85-E415 IonicContact NE-OE2 2.85Å; R85-E415 PolarHBondContact NE-OE2 3.23Å; R85-E415 IonicContact NH2-OE1 3.29Å; R85-E415 IonicContact NH2-OE2 2.92Å; R85-E415 PolarHBondContact NH2-OE2 3.44Å; N412-E415 HydrophobicContact CB-CB 4.14Å; N412-E415 VanDerWaalsContact ND2-CD 3.34Å; N412-E415 PolarHBondContact ND2-OE1 3.5Å; N412-E415 VanDerWaalsContact ND2-OE1 3.1Å; N412-E415 PolarHBondContact O-N 2.61Å; E415-V417 PolarHBondContact O-N 3.35Å; E415-V417 VanDerWaalsContact O-N 3.15Å; E415-A418 PolarHBondContact O-N 2.84Å; E415-A418 VanDerWaalsContact O-N 3.15Å; E415-I419 HydrophobicContact CB-CD1 4.14Å; E415-I419 WeakPolarHBondContact O-CG1 2.93Å; E415-I419 PolarHBondContact O-N 2.97Å
416	A	96.7	Very high	94.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-55.9	-36.9	-172.3	0	0	0	0	0	113.3	A226 A229 V411 N412 G420	A226-A416 HydrophobicContact CB-CB 4.26Å; A229-A416 HydrophobicContact CB-CB 4.28Å; A229-A416 WeakPolarHBondContact CB-O 3.49Å; V411-A416 HydrophobicContact CB-CB 4.1Å; N412-A416 VanDerWaalsContact O-CB 3.29Å; N412-A416 WeakPolarHBondContact O-CB 3.37Å; N412-A416 PolarHBondContact O-N 2.94Å; A416-G420 PolarHBondContact O-N 3.04Å
417	V	98	Very high	94.7	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.024	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-47.7	-179.7	-169.5	0	0	0	0	111	D59 T192 E222 A225 A226 V386 E415 I419 G420 A421	D59-V417 HydrophobicContact CB-CB 4.16Å; D59-V417 HydrophobicContact CB-CG1 4.16Å; T192-V417 HydrophobicContact CG2-CG1 3.42Å; T192-V417 VanDerWaalsContact CG2-CG1 3.42Å; E222-V417 HydrophobicContact CB-CG1 4.02Å; E222-V417 HydrophobicContact CG-CG1 3.81Å; A225-V417 HydrophobicContact CB-CG1 4.08Å; A225-V417 WeakPolarHBondContact CB-O 3.35Å; A226-V417 HydrophobicContact CB-CG2 4.49Å; V386-V417 HydrophobicContact CG1-CG2 3.37Å; E415-V417 PolarHBondContact O-N 3.35Å; E415-V417 VanDerWaalsContact O-N 3.15Å; V417-I419 PolarHBondContact O-N 3.11Å; V417-G420 PolarHBondContact O-N 3.33Å; V417-A421 PolarHBondContact O-N 2.83Å
418	A	98.3	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-41.1	178.2	0	0	0	0	0	111.7	D59 C66 A68 V77 E415 G420 A421 A422	D59-A418 HydrophobicContact CB-CB 3.89Å; C66-A418 HydrophobicContact CB-CB 3.79Å; C66-A418 VanDerWaalsContact SG-CB 3.54Å; A68-A418 HydrophobicContact CB-CB 4.16Å; A68-A418 WeakPolarHBondContact CB-O 3.4Å; V77-A418 HydrophobicContact CG2-CB 4.39Å; E415-A418 PolarHBondContact O-N 2.84Å; E415-A418 VanDerWaalsContact O-N 3.15Å; A418-G420 VanDerWaalsContact C-N 3.34Å; A418-G420 PolarHBondContact O-N 2.84Å; A418-A421 PolarHBondContact O-N 2.96Å; A418-A422 PolarHBondContact O-N 3.3Å
419	I	97.7	Very high	94.3	Very high	40 Å²	40	30.1 Å²	30.1	21%	0.205	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-49	173.9	-69.1	172.9	0	0	0	110.3	A75 V77 A229 E415 V417 A421 A422 I423	A75-I419 HydrophobicContact CB-CB 4.48Å; A75-I419 HydrophobicContact CB-CG2 3.74Å; V77-I419 HydrophobicContact CG2-CD1 4.27Å; V77-I419 HydrophobicContact CG2-CG1 3.7Å; A229-I419 HydrophobicContact CB-CB 3.95Å; A229-I419 HydrophobicContact CB-CG2 3.57Å; E415-I419 HydrophobicContact CB-CD1 4.14Å; E415-I419 WeakPolarHBondContact O-CG1 2.93Å; E415-I419 PolarHBondContact O-N 2.97Å; V417-I419 PolarHBondContact O-N 3.11Å; I419-A421 VanDerWaalsContact C-N 3.34Å; I419-A421 PolarHBondContact O-N 3.17Å; I419-A422 WeakPolarHBondContact O-CB 3.15Å; I419-A422 PolarHBondContact O-N 2.84Å; I419-I423 HydrophobicContact CG2-CD1 4Å; I419-I423 WeakPolarHBondContact O-CG1 3.45Å; I419-I423 PolarHBondContact O-N 3.49Å
420	G	96.6	Very high	94.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-40.7	177	0	0	0	0	0	114	A225 A416 V417 A418 A422 I423 Q424	A225-G420 WeakPolarHBondContact O-CA 3.44Å; A416-G420 PolarHBondContact O-N 3.04Å; V417-G420 PolarHBondContact O-N 3.33Å; A418-G420 VanDerWaalsContact C-N 3.34Å; A418-G420 PolarHBondContact O-N 2.84Å; G420-A422 VanDerWaalsContact C-N 3.32Å; G420-A422 PolarHBondContact O-N 3.15Å; G420-I423 PolarHBondContact O-N 2.9Å; G420-Q424 PolarHBondContact O-N 3.11Å
421	A	97.6	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-38.3	175.4	0	0	0	0	0	111.7	V190 T192 I220 V417 A418 I419 Q424 G425	V190-A421 HydrophobicContact CB-CB 4.49Å; V190-A421 HydrophobicContact CG1-CB 4.12Å; T192-A421 HydrophobicContact CG2-CB 3.86Å; I220-A421 HydrophobicContact CG2-CB 4.23Å; V417-A421 PolarHBondContact O-N 2.83Å; A418-A421 PolarHBondContact O-N 2.96Å; I419-A421 VanDerWaalsContact C-N 3.34Å; I419-A421 PolarHBondContact O-N 3.17Å; A421-Q424 PolarHBondContact O-N 3.22Å; A421-G425 PolarHBondContact O-N 2.82Å
422	A	97.3	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.2	-42.2	175.5	0	0	0	0	0	111.4	A68 M70 A75 A418 I419 G420 Q424 G425 G426	A68-A422 HydrophobicContact CB-CB 3.8Å; M70-A422 HydrophobicContact CG-CB 4.45Å; M70-A422 WeakPolarHBondContact CG-O 3.21Å; M70-A422 HydrophobicContact SD-CB 4.42Å; A75-A422 HydrophobicContact CB-CB 4.31Å; A418-A422 PolarHBondContact O-N 3.3Å; I419-A422 WeakPolarHBondContact O-CB 3.15Å; I419-A422 PolarHBondContact O-N 2.84Å; G420-A422 VanDerWaalsContact C-N 3.32Å; G420-A422 PolarHBondContact O-N 3.15Å; A422-Q424 VanDerWaalsContact C-N 3.32Å; A422-Q424 PolarHBondContact O-N 3.49Å; A422-G425 CarbonylContact O-C 3.5Å; A422-G425 WeakPolarHBondContact O-CA 3.37Å; A422-G425 PolarHBondContact O-N 3.15Å; A422-G426 PolarHBondContact O-N 2.95Å
423	I	95.4	Very high	93.3	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-46.5	173.6	-66.8	164.5	0	0	0	110.3	M70 A75 L228 L232 I419 G420 G425 G426 V427	M70-I423 HydrophobicContact SD-CG1 4.07Å; A75-I423 HydrophobicContact CB-CD1 4.48Å; A75-I423 HydrophobicContact CB-CG1 3.97Å; L228-I423 HydrophobicContact CB-CG2 4.47Å; L232-I423 HydrophobicContact CB-CD1 4.36Å; L232-I423 HydrophobicContact CD1-CG2 4.16Å; L232-I423 HydrophobicContact CD2-CD1 3.91Å; L232-I423 HydrophobicContact CD2-CG1 4.19Å; I419-I423 HydrophobicContact CG2-CD1 4Å; I419-I423 WeakPolarHBondContact O-CG1 3.45Å; I419-I423 PolarHBondContact O-N 3.49Å; G420-I423 PolarHBondContact O-N 2.9Å; I423-G425 VanDerWaalsContact C-N 3.26Å; I423-G425 PolarHBondContact O-N 3.03Å; I423-G426 WeakPolarHBondContact O-CA 3.28Å; I423-G426 PolarHBondContact O-N 2.98Å; I423-G426 VanDerWaalsContact O-N 3.09Å; I423-V427 WeakPolarHBondContact O-CG2 3.34Å; I423-V427 PolarHBondContact O-N 2.99Å
424	Q	94.6	Very high	92.7	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-37.3	175.5	-179.9	60.9	49.8	0	0	112	V190 I220 L228 G420 A421 A422 V427 L428	V190-Q424 HydrophobicContact CG1-CB 4.26Å; V190-Q424 HydrophobicContact CG1-CG 4.11Å; V190-Q424 HydrophobicContact CG2-CG 4.37Å; I220-Q424 HydrophobicContact CD1-CB 3.83Å; I220-Q424 HydrophobicContact CD1-CG 3.89Å; L228-Q424 HydrophobicContact CD1-CB 4.19Å; G420-Q424 PolarHBondContact O-N 3.11Å; A421-Q424 PolarHBondContact O-N 3.22Å; A422-Q424 VanDerWaalsContact C-N 3.32Å; A422-Q424 PolarHBondContact O-N 3.49Å; Q424-V427 PolarHBondContact O-N 3.4Å; Q424-L428 HydrophobicContact CG-CD1 4.47Å; Q424-L428 WeakPolarHBondContact O-CG 3.34Å; Q424-L428 PolarHBondContact O-N 3.06Å; Q424-L428 VanDerWaalsContact O-N 3.09Å
425	G	94.4	Very high	92.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-45.1	172.2	0	0	0	0	0	112.4	A421 A422 I423 V427 L428 A429	A421-G425 PolarHBondContact O-N 2.82Å; A422-G425 CarbonylContact O-C 3.5Å; A422-G425 WeakPolarHBondContact O-CA 3.37Å; A422-G425 PolarHBondContact O-N 3.15Å; I423-G425 VanDerWaalsContact C-N 3.26Å; I423-G425 PolarHBondContact O-N 3.03Å; G425-V427 VanDerWaalsContact C-N 3.32Å; G425-V427 PolarHBondContact O-N 2.79Å; G425-L428 PolarHBondContact O-N 3.49Å; G425-A429 WeakPolarHBondContact O-CB 3.39Å; G425-A429 PolarHBondContact O-N 2.64Å
426	G	93.3	Very high	91.9	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-36	174.1	0	0	0	0	0	113.3	A422 I423 A429 G430 D431 V432	A422-G426 PolarHBondContact O-N 2.95Å; I423-G426 WeakPolarHBondContact O-CA 3.28Å; I423-G426 PolarHBondContact O-N 2.98Å; I423-G426 VanDerWaalsContact O-N 3.09Å; G426-A429 PolarHBondContact O-N 2.58Å; G426-G430 PolarHBondContact O-N 3.19Å; G426-D431 PolarHBondContact O-N 2.78Å; G426-V432 PolarHBondContact O-N 2.84Å; G426-V432 VanDerWaalsContact O-N 3.13Å
427	V	91.6	Very high	91.5	Very high	39 Å²	39	33.7 Å²	33.7	24%	0.236	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-43.6	173.3	174.3	0	0	0	0	111	I423 Q424 G425 G430 V432 V435	I423-V427 WeakPolarHBondContact O-CG2 3.34Å; I423-V427 PolarHBondContact O-N 2.99Å; Q424-V427 PolarHBondContact O-N 3.4Å; G425-V427 VanDerWaalsContact C-N 3.32Å; G425-V427 PolarHBondContact O-N 2.79Å; V427-G430 PolarHBondContact O-N 3.23Å; V427-V432 HydrophobicContact CG2-CB 3.81Å; V427-V432 HydrophobicContact CG2-CG1 3.82Å; V427-V435 HydrophobicContact CG2-CB 3.92Å; V427-V435 HydrophobicContact CG2-CG1 4.15Å
428	L	90.3	Very high	91.1	Very high	59 Å²	59	35.9 Å²	35.9	31%	0.309	21%	0.213	S	C	.	.	H	α-helix	trans	-69	-36.1	179	-66.5	168.8	0	0	0	112.3	I51 V190 L217 R218 Q424 G425 G430	I51-L428 HydrophobicContact CD1-CB 4Å; I51-L428 VanDerWaalsContact CD1-O 3.26Å; I51-L428 WeakPolarHBondContact CD1-O 3.42Å; V190-L428 HydrophobicContact CG2-CD1 3.94Å; L217-L428 HydrophobicContact CB-CD1 4.02Å; R218-L428 HydrophobicContact CB-CD1 3.8Å; Q424-L428 HydrophobicContact CG-CD1 4.47Å; Q424-L428 WeakPolarHBondContact O-CG 3.34Å; Q424-L428 PolarHBondContact O-N 3.06Å; Q424-L428 VanDerWaalsContact O-N 3.09Å; G425-L428 PolarHBondContact O-N 3.49Å; L428-G430 VanDerWaalsContact C-N 3.25Å; L428-G430 PolarHBondContact O-N 2.78Å
429	A	89.7	Confident	90.6	Very high	38 Å²	38	36.4 Å²	36.4	31%	0.314	22%	0.216	S	C	.	.	H	α-helix	trans	-73.4	-16.7	175.7	0	0	0	0	0	113.2	V55 G425 G426	V55-A429 HydrophobicContact CG2-CB 4.29Å; G425-A429 WeakPolarHBondContact O-CB 3.39Å; G425-A429 PolarHBondContact O-N 2.64Å; G426-A429 PolarHBondContact O-N 2.58Å
430	G	86.8	Confident	90.1	Very high	46 Å²	46	34.6 Å²	34.6	47%	0.474	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	5	-176.7	0	0	0	0	0	114.5	G426 V427 L428 V432	G426-G430 PolarHBondContact O-N 3.19Å; V427-G430 PolarHBondContact O-N 3.23Å; L428-G430 VanDerWaalsContact C-N 3.25Å; L428-G430 PolarHBondContact O-N 2.78Å; G430-V432 VanDerWaalsContact C-N 3.32Å
431	D	85.5	Confident	89.6	Confident	105 Å²	105	35 Å²	35	56%	0.561	21%	0.209	S	C	*	.	S	Bend	trans	-73.4	-25.4	177	-61.3	-38.4	0	0	0	112.2	G426	G426-D431 PolarHBondContact O-N 2.78Å
432	V	86	Confident	88.6	Confident	18 Å²	18	35.5 Å²	35.5	11%	0.109	21%	0.212	C	C	.	.			trans	-118.5	108.6	177.2	-177.7	0	0	0	0	109.5	M70 L232 G426 V427 G430 V435	M70-V432 HydrophobicContact CE-CG2 3.79Å; L232-V432 HydrophobicContact CD1-CG1 4.33Å; G426-V432 PolarHBondContact O-N 2.84Å; G426-V432 VanDerWaalsContact O-N 3.13Å; V427-V432 HydrophobicContact CG2-CB 3.81Å; V427-V432 HydrophobicContact CG2-CG1 3.82Å; G430-V432 VanDerWaalsContact C-N 3.32Å; V432-V435 HydrophobicContact CG1-CB 4.2Å; V432-V435 HydrophobicContact CG1-CG2 3.74Å
433	T	82.7	Confident	88	Confident	105 Å²	105	36.7 Å²	36.7	64%	0.644	22%	0.219	S	C	*	.			trans	-103.2	-16.7	-170.2	55.4	0	0	0	0	115.4
434	D	82.8	Confident	87.7	Confident	112 Å²	112	36.6 Å²	36.6	60%	0.599	22%	0.218	S	C	*	.	S	Bend	trans	-102	18.1	-170.5	-60.2	-41.2	0	0	0	113.2	G260	G260-D434 WeakPolarHBondContact CA-O 3.31Å
435	V	86.6	Confident	87.6	Confident	19 Å²	19	36.4 Å²	36.4	12%	0.115	22%	0.218	C	C	.	.			trans	-118.2	127.6	-179.8	176.4	0	0	0	0	110.1	L228 L232 G260 F262 V427 V432	L228-V435 HydrophobicContact CD2-CG1 3.66Å; L232-V435 HydrophobicContact CD1-CG2 3.8Å; G260-V435 CarbonylContact O-C 3.56Å; G260-V435 VanDerWaalsContact O-CA 3.32Å; G260-V435 WeakPolarHBondContact O-CA 3.26Å; F262-V435 HydrophobicContact CD2-CG1 4.01Å; F262-V435 HydrophobicContact CE2-CG1 4Å; V427-V435 HydrophobicContact CG2-CB 3.92Å; V427-V435 HydrophobicContact CG2-CG1 4.15Å; V432-V435 HydrophobicContact CG1-CB 4.2Å; V432-V435 HydrophobicContact CG1-CG2 3.74Å
436	L	87.3	Confident	87.5	Confident	95 Å²	95	36.4 Å²	36.4	50%	0.497	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.1	170.7	179.2	65.2	0	0	0	109.1	G260 V261 F262 L438	G260-L436 PolarHBondContact O-N 3.36Å; V261-L436 CarbonylContact C-O 3.51Å; V261-L436 WeakPolarHBondContact CA-O 3.42Å; V261-L436 HydrophobicContact CG1-CD2 4.37Å; V261-L436 HydrophobicContact CG2-CB 4.29Å; V261-L436 HydrophobicContact CG2-CD2 4.36Å; F262-L436 PolarHBondContact N-O 2.83Å; L436-L438 HydrophobicContact CG-CD2 4.47Å
437	L	89.1	Confident	87.5	Confident	20 Å²	20	36.5 Å²	36.5	11%	0.105	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.8	178.4	178.2	65.6	0	0	0	110.8	I220 T224 F262	I220-L437 HydrophobicContact CD1-CD2 4.11Å; T224-L437 HydrophobicContact CG2-CD1 3.21Å; T224-L437 HydrophobicContact CG2-CD2 3.57Å; T224-L437 HydrophobicContact CG2-CG 3.97Å; F262-L437 HydrophobicContact CB-CD1 3.83Å
438	L	88.9	Confident	87.5	Confident	49 Å²	49	37.9 Å²	37.9	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105.6	173.1	-59.2	177.1	0	0	0	108.2	V261 F262 E263 V264 L436 T463	V261-L438 HydrophobicContact CG1-CD1 4.11Å; V261-L438 HydrophobicContact CG1-CG 4.5Å; F262-L438 PolarHBondContact O-N 2.95Å; E263-L438 HydrophobicContact CB-CB 4.39Å; E263-L438 HydrophobicContact CG-CB 4.26Å; E263-L438 HydrophobicContact CG-CD1 4.43Å; V264-L438 PolarHBondContact N-O 3.01Å; L436-L438 HydrophobicContact CG-CD2 4.47Å; L438-T463 HydrophobicContact CB-CG2 3.97Å
439	D	88	Confident	87.3	Confident	11 Å²	11	36.8 Å²	36.8	6%	0.059	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	175.6	180	-148	-23.5	0	0	0	110.8	N221 T463 I464	N221-D439 PolarHBondContact ND2-OD1 3.46Å; N221-D439 VanDerWaalsContact ND2-OD1 3.12Å; N221-D439 PolarHBondContact ND2-OD2 2.93Å; D439-T463 CarbonylContact O-C 3.57Å; D439-T463 VanDerWaalsContact O-CA 3.27Å; D439-T463 WeakPolarHBondContact O-CA 3.45Å; D439-I464 HydrophobicContact CB-CD1 4.4Å; D439-I464 HydrophobicContact CB-CG1 4.15Å; D439-I464 WeakPolarHBondContact O-CG1 3.34Å; D439-I464 PolarHBondContact O-N 2.9Å
440	V	88.6	Confident	86.9	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.9	179.8	-61.7	0	0	0	0	112.6	V264 T267 N461 T462	V264-V440 HydrophobicContact CB-CG1 4.17Å; V264-V440 HydrophobicContact CB-CG2 4.12Å; V264-V440 HydrophobicContact CG1-CG1 4.42Å; V264-V440 HydrophobicContact CG1-CG2 3.63Å; V264-V440 WeakPolarHBondContact O-CG1 3.3Å; T267-V440 HydrophobicContact CG2-CG2 4.15Å; V440-N461 VanDerWaalsContact CG1-O 3.27Å; V440-N461 WeakPolarHBondContact CG1-O 3.43Å; V440-T462 VanDerWaalsContact CA-O 3.3Å; V440-T462 WeakPolarHBondContact CA-O 3.39Å
441	T	84.4	Confident	86.4	Confident	8 Å²	8	42.7 Å²	42.7	5%	0.049	25%	0.247	C	C	.	.			trans	-75.8	128.5	167.5	178.4	0	0	0	0	111.1	L443 I458 N461 T462 I524	T441-L443 VanDerWaalsContact C-N 3.31Å; T441-L443 PolarHBondContact O-N 3.38Å; T441-L443 PolarHBondContact OG1-O 3.47Å; T441-I458 HydrophobicContact CG2-CG2 3.97Å; T441-N461 PolarHBondContact O-N 3.49Å; T441-T462 PolarHBondContact N-O 3.06Å; T441-I524 HydrophobicContact CG2-CD1 4.4Å
442	P	77.8	Confident	86.3	Confident	10 Å²	10	38.5 Å²	38.5	7%	0.065	23%	0.228	C	C	.	.	S	Bend	trans	-74.7	-18.7	-175.5	29.5	-35.9	0	0	0	114	Y196 T267	Y196-P442 HydrophobicContact CD2-CB 4.04Å; Y196-P442 HydrophobicContact CE2-CB 4.37Å; T267-P442 HydrophobicContact CG2-CB 3.91Å
443	L	83.6	Confident	86.3	Confident	25 Å²	25	40.3 Å²	40.3	13%	0.131	24%	0.239	C	C	.	.	S	Bend	trans	-135.2	149.9	-176.7	-67.7	172.6	0	0	0	110.7	Y196 T441 Q488 E490	Y196-L443 HydrophobicContact CE1-CD2 4.47Å; Y196-L443 HydrophobicContact CE2-CD2 4.29Å; Y196-L443 WeakPolarHBondContact OH-CD2 3.31Å; T441-L443 VanDerWaalsContact C-N 3.31Å; T441-L443 PolarHBondContact O-N 3.38Å; T441-L443 PolarHBondContact OG1-O 3.47Å; L443-Q488 HydrophobicContact CB-CG 3.46Å; L443-Q488 VanDerWaalsContact CB-CG 3.46Å; L443-Q488 HydrophobicContact CD1-CG 3.85Å; L443-Q488 HydrophobicContact CG-CG 4.31Å; L443-E490 HydrophobicContact CD2-CG 4.43Å
444	S	89.9	Confident	86.6	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	21%	0.21	C	C	.	.			trans	-68.2	143.6	175.1	-53.6	0	0	0	0	111	I458 R460 Q488 G489 E490	S444-I458 CarbonylContact C-O 3.47Å; S444-I458 WeakPolarHBondContact CA-O 3.36Å; S444-I458 WeakPolarHBondContact CB-O 3.19Å; S444-R460 PolarHBondContact OG-N 3.39Å; S444-Q488 VanDerWaalsContact O-CA 3.3Å; S444-Q488 WeakPolarHBondContact O-CA 3.46Å; S444-G489 WeakPolarHBondContact CB-O 3.29Å; S444-G489 PolarHBondContact O-N 3.34Å; S444-E490 VanDerWaalsContact CB-OE1 3.24Å; S444-E490 WeakPolarHBondContact CB-OE1 3.24Å; S444-E490 PolarHBondContact N-OE1 2.9Å; S444-E490 VanDerWaalsContact OG-CD 3.27Å; S444-E490 PolarHBondContact OG-OE1 3.3Å; S444-E490 PolarHBondContact OG-OE2 2.97Å
445	L	91.6	Very high	87	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.9	177.1	-69.2	161.6	0	0	0	109.5	L457 I458 Q488 L500 F522 I524 V530	L445-L457 PolarHBondContact O-N 3.47Å; L445-I458 HydrophobicContact CB-CB 4.38Å; L445-I458 PolarHBondContact N-O 3.03Å; L445-I458 PolarHBondContact O-N 3Å; L445-Q488 HydrophobicContact CD2-CB 3.89Å; L445-Q488 HydrophobicContact CD2-CG 3.97Å; L445-L500 HydrophobicContact CD2-CD1 3.55Å; L445-F522 HydrophobicContact CB-CD1 4.04Å; L445-F522 HydrophobicContact CB-CE1 4.01Å; L445-I524 HydrophobicContact CD1-CD1 3.44Å; L445-I524 VanDerWaalsContact CD1-CD1 3.44Å; L445-I524 HydrophobicContact CD1-CG1 4.16Å; L445-V530 HydrophobicContact CD1-CG1 4.24Å; L445-V530 HydrophobicContact CD1-CG2 3.64Å; L445-V530 HydrophobicContact CD2-CG2 4.35Å
446	G	93.3	Very high	87.3	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	-170.7	-175.1	0	0	0	0	0	112.8	F454 T455 C487	G446-F454 VanDerWaalsContact CA-CE2 3.42Å; G446-T455 CarbonylContact C-O 3.58Å; G446-T455 WeakPolarHBondContact CA-O 3.4Å; G446-C487 PolarHBondContact N-O 2.79Å; G446-C487 PolarHBondContact O-N 3.37Å
447	I	94.3	Very high	87.6	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.5	179.2	64.5	175.2	0	0	0	111.8	T449 T455 L457 F472 I484 K485 V520 F522	I447-T449 HydrophobicContact CD1-CG2 4.37Å; I447-T449 HydrophobicContact CG1-CG2 4.08Å; I447-T455 PolarHBondContact N-O 3.29Å; I447-T455 PolarHBondContact O-N 2.89Å; I447-L457 HydrophobicContact CG1-CD1 4.17Å; I447-F472 HydrophobicContact CD1-CD1 4.23Å; I447-F472 HydrophobicContact CD1-CD2 3.86Å; I447-F472 HydrophobicContact CD1-CE1 3.93Å; I447-F472 HydrophobicContact CD1-CE2 3.51Å; I447-F472 HydrophobicContact CD1-CG 4.2Å; I447-F472 HydrophobicContact CD1-CZ 3.56Å; I447-F472 HydrophobicContact CG1-CE1 4.43Å; I447-F472 HydrophobicContact CG1-CE2 4.39Å; I447-F472 HydrophobicContact CG1-CZ 4.05Å; I447-I484 HydrophobicContact CG2-CG2 3.82Å; I447-K485 CarbonylContact C-O 3.48Å; I447-K485 WeakPolarHBondContact CA-O 3.33Å; I447-V520 HydrophobicContact CD1-CG2 4.27Å; I447-V520 HydrophobicContact CG2-CG1 4.36Å; I447-F522 HydrophobicContact CG2-CE2 3.7Å; I447-F522 HydrophobicContact CG2-CZ 3.6Å
448	E	91.2	Very high	87.8	Confident	68 Å²	68	29.6 Å²	29.6	32%	0.318	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	125.9	165.5	-174.5	171.9	178.1	0	0	109.7	K485 A494	E448-K485 HydrophobicContact CB-CB 4.14Å; E448-K485 HydrophobicContact CB-CD 4.23Å; E448-K485 PolarHBondContact N-O 3.17Å; E448-K485 WeakPolarHBondContact OE2-CD 3.46Å; E448-K485 WeakPolarHBondContact OE2-CE 3.45Å; E448-K485 IonicContact OE2-NZ 3.68Å; E448-K485 PolarHBondContact OE2-NZ 2.7Å; E448-A494 HydrophobicContact CB-CB 3.74Å; E448-A494 HydrophobicContact CG-CB 3.65Å
449	T	86.1	Confident	87.9	Confident	36 Å²	36	31.8 Å²	31.8	22%	0.221	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	176.8	174	59.4	0	0	0	0	111.3	I447 G451 G452 V453 T455 F472	I447-T449 HydrophobicContact CD1-CG2 4.37Å; I447-T449 HydrophobicContact CG1-CG2 4.08Å; T449-G451 PolarHBondContact O-N 3.09Å; T449-G452 PolarHBondContact O-N 2.99Å; T449-V453 PolarHBondContact N-O 3.06Å; T449-V453 PolarHBondContact OG1-O 3.31Å; T449-T455 WeakPolarHBondContact CG2-OG1 3.48Å; T449-T455 PolarHBondContact OG1-OG1 3.46Å; T449-F472 HydrophobicContact CG2-CD1 4.12Å; T449-F472 HydrophobicContact CG2-CE1 3.72Å
450	L	80	Confident	88	Confident	145 Å²	145	34.3 Å²	34.3	76%	0.759	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	130.5	-177.9	-175.4	67.6	0	0	0	111.4	A475	L450-A475 HydrophobicContact CD1-CB 3.97Å; L450-A475 HydrophobicContact CD2-CB 4.38Å
451	G	77.4	Confident	88	Confident	63 Å²	63	35.2 Å²	35.2	65%	0.649	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	6.7	-175.8	0	0	0	0	0	114.4	T449 V453	T449-G451 PolarHBondContact O-N 3.09Å; G451-V453 VanDerWaalsContact C-N 3.27Å; G451-V453 PolarHBondContact O-N 3.43Å
452	G	82.8	Confident	88.3	Confident	16 Å²	16	36.5 Å²	36.5	17%	0.165	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	17.9	178.4	0	0	0	0	0	113.5	T449 M493 A494	T449-G452 PolarHBondContact O-N 2.99Å; G452-M493 WeakPolarHBondContact O-CE 3.35Å; G452-A494 WeakPolarHBondContact O-CB 3.25Å; G452-A494 PolarHBondContact O-N 3.25Å
453	V	85.8	Confident	88.9	Confident	57 Å²	57	38.6 Å²	38.6	35%	0.345	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.2	-178	-178.3	0	0	0	0	109.6	T449 G451	T449-V453 PolarHBondContact N-O 3.06Å; T449-V453 PolarHBondContact OG1-O 3.31Å; G451-V453 VanDerWaalsContact C-N 3.27Å; G451-V453 PolarHBondContact O-N 3.43Å
454	F	90.1	Very high	89.1	Confident	7 Å²	7	38.1 Å²	38.1	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	110.5	173.5	179.4	-124.7	0	0	0	110.2	G446 K456 C487 G489 R491 E492 A494 N497	G446-F454 VanDerWaalsContact CA-CE2 3.42Å; F454-K456 HydrophobicContact CD1-CG 3.96Å; F454-K456 HydrophobicContact CE1-CD 4.36Å; F454-K456 HydrophobicContact CE1-CG 3.56Å; F454-K456 HydrophobicContact CZ-CG 4.23Å; F454-C487 HydrophobicContact CD2-CB 3.83Å; F454-C487 HydrophobicContact CE2-CB 3.61Å; F454-C487 WeakPolarHBondContact CE2-O 3.38Å; F454-G489 VanDerWaalsContact CE1-O 3.24Å; F454-G489 WeakPolarHBondContact CE1-O 3.33Å; F454-R491 WeakPolarHBondContact CD1-O 3.24Å; F454-E492 WeakPolarHBondContact CB-O 3.28Å; F454-E492 PolarHBondContact N-O 3.31Å; F454-A494 HydrophobicContact CB-CB 4.38Å; F454-N497 WeakPolarHBondContact CD1-ND2 3.48Å; F454-N497 WeakPolarHBondContact CG-ND2 3.48Å
455	T	90.3	Very high	89	Confident	35 Å²	35	42.1 Å²	42.1	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.8	176.3	-56.8	0	0	0	0	109.8	G446 I447 T449 L457 F472	G446-T455 CarbonylContact C-O 3.58Å; G446-T455 WeakPolarHBondContact CA-O 3.4Å; I447-T455 PolarHBondContact N-O 3.29Å; I447-T455 PolarHBondContact O-N 2.89Å; T449-T455 WeakPolarHBondContact CG2-OG1 3.48Å; T449-T455 PolarHBondContact OG1-OG1 3.46Å; T455-L457 WeakPolarHBondContact O-CD1 3.45Å; T455-F472 HydrophobicContact CG2-CE1 4.21Å; T455-F472 HydrophobicContact CG2-CZ 4.26Å
456	K	92.6	Very high	89.1	Confident	61 Å²	61	43.5 Å²	43.5	27%	0.265	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.1	179.1	-60.1	177.2	-173	-174.6	0	110.4	F454 E490	F454-K456 HydrophobicContact CD1-CG 3.96Å; F454-K456 HydrophobicContact CE1-CD 4.36Å; F454-K456 HydrophobicContact CE1-CG 3.56Å; F454-K456 HydrophobicContact CZ-CG 4.23Å; K456-E490 IonicContact NZ-OE2 3.29Å; K456-E490 PolarHBondContact NZ-OE2 2.97Å
457	L	93.8	Very high	89.1	Confident	20 Å²	20	49.5 Å²	49.5	11%	0.105	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-36.3	172.1	-82.6	79.3	0	0	0	111.5	L445 I447 T455 Q470 F472 V520 F522	L445-L457 PolarHBondContact O-N 3.47Å; I447-L457 HydrophobicContact CG1-CD1 4.17Å; T455-L457 WeakPolarHBondContact O-CD1 3.45Å; L457-Q470 HydrophobicContact CD2-CB 3.96Å; L457-Q470 HydrophobicContact CG-CB 4.21Å; L457-F472 HydrophobicContact CD1-CE2 4.32Å; L457-F472 HydrophobicContact CD1-CZ 4Å; L457-F472 HydrophobicContact CD2-CE2 4.31Å; L457-V520 HydrophobicContact CD2-CB 4.5Å; L457-V520 HydrophobicContact CD2-CG1 4.36Å; L457-F522 HydrophobicContact CB-CD2 4.14Å; L457-F522 HydrophobicContact CB-CE2 4.42Å; L457-F522 HydrophobicContact CD1-CE2 4.32Å; L457-F522 HydrophobicContact CD2-CD2 3.49Å; L457-F522 VanDerWaalsContact CD2-CD2 3.49Å; L457-F522 HydrophobicContact CD2-CE2 3.67Å; L457-F522 HydrophobicContact CG-CD2 4.33Å; L457-F522 HydrophobicContact CG-CE2 4.36Å
458	I	93.9	Very high	89.2	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.1	173.5	-61.9	174.7	0	0	0	106.9	T441 S444 L445 T462 T466 K468 F522 I524	T441-I458 HydrophobicContact CG2-CG2 3.97Å; S444-I458 CarbonylContact C-O 3.47Å; S444-I458 WeakPolarHBondContact CA-O 3.36Å; S444-I458 WeakPolarHBondContact CB-O 3.19Å; L445-I458 HydrophobicContact CB-CB 4.38Å; L445-I458 PolarHBondContact N-O 3.03Å; L445-I458 PolarHBondContact O-N 3Å; I458-T462 HydrophobicContact CG2-CG2 4.07Å; I458-T466 HydrophobicContact CD1-CG2 4.06Å; I458-T466 HydrophobicContact CG2-CG2 4.37Å; I458-K468 HydrophobicContact CD1-CB 4.36Å; I458-K468 HydrophobicContact CD1-CG 4.39Å; I458-K468 HydrophobicContact CG1-CB 3.85Å; I458-K468 HydrophobicContact CG1-CG 3.73Å; I458-F522 HydrophobicContact CD1-CB 3.57Å; I458-F522 HydrophobicContact CD1-CG 4.5Å; I458-F522 HydrophobicContact CG1-CB 4.25Å; I458-I524 HydrophobicContact CD1-CD1 3.54Å; I458-I524 HydrophobicContact CD1-CG1 3.74Å; I458-I524 HydrophobicContact CG2-CD1 4Å
459	N	91.6	Very high	89.3	Confident	95 Å²	95	54.3 Å²	54.3	51%	0.508	31%	0.308	S	S	.	.			trans	-76.5	154.6	177.5	-66	-40.6	0	0	0	110.3	T462	N459-T462 WeakPolarHBondContact O-CB 3.38Å; N459-T462 PolarHBondContact O-N 3.29Å; N459-T462 PolarHBondContact O-OG1 3.21Å
460	R	89.1	Confident	89.7	Confident	64 Å²	64	56.4 Å²	56.4	24%	0.242	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	155.2	166.9	70.1	173.8	-166.7	-146.8	-2	111.1	D372 S444 T462 E490	D372-R460 IonicContact OD1-CZ 2.74Å; D372-R460 IonicContact OD1-NE 3.81Å; D372-R460 IonicContact OD1-NH2 2.82Å; D372-R460 PolarHBondContact OD1-NH2 2.93Å; D372-R460 IonicContact OD2-CZ 3.85Å; D372-R460 IonicContact OD2-NE 2.81Å; D372-R460 PolarHBondContact OD2-NE 3.18Å; D372-R460 IonicContact OD2-NH2 2.78Å; D372-R460 PolarHBondContact OD2-NH2 2.82Å; S444-R460 PolarHBondContact OG-N 3.39Å; R460-T462 PolarHBondContact O-N 2.82Å; R460-E490 WeakPolarHBondContact CB-OE1 3.28Å
461	N	88.9	Confident	90.4	Very high	22 Å²	22	52.3 Å²	52.3	12%	0.118	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	11.4	-175.4	-52.2	-46.7	0	0	0	114.6	S266 T267 D372 V440 T441 T463	S266-N461 WeakPolarHBondContact CA-OD1 3.5Å; T267-N461 PolarHBondContact N-OD1 2.95Å; D372-N461 WeakPolarHBondContact CB-ND2 3.43Å; D372-N461 PolarHBondContact OD2-ND2 2.74Å; V440-N461 VanDerWaalsContact CG1-O 3.27Å; V440-N461 WeakPolarHBondContact CG1-O 3.43Å; T441-N461 PolarHBondContact O-N 3.49Å; N461-T463 PolarHBondContact O-N 3.27Å
462	T	90.3	Very high	91	Very high	36 Å²	36	51.1 Å²	51.1	22%	0.221	27%	0.273	C	S	.	.			trans	-68.8	127.6	169.4	-57.4	0	0	0	0	109.3	V440 T441 I458 N459 R460 T466	V440-T462 VanDerWaalsContact CA-O 3.3Å; V440-T462 WeakPolarHBondContact CA-O 3.39Å; T441-T462 PolarHBondContact N-O 3.06Å; I458-T462 HydrophobicContact CG2-CG2 4.07Å; N459-T462 WeakPolarHBondContact O-CB 3.38Å; N459-T462 PolarHBondContact O-N 3.29Å; N459-T462 PolarHBondContact O-OG1 3.21Å; R460-T462 PolarHBondContact O-N 2.82Å; T462-T466 HydrophobicContact CG2-CG2 3.88Å
463	T	90.4	Very high	91.4	Very high	53 Å²	53	52.4 Å²	52.4	33%	0.325	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	136.4	175.5	-47.4	0	0	0	0	111.4	L438 D439 N461 T466	L438-T463 HydrophobicContact CB-CG2 3.97Å; D439-T463 CarbonylContact O-C 3.57Å; D439-T463 VanDerWaalsContact O-CA 3.27Å; D439-T463 WeakPolarHBondContact O-CA 3.45Å; N461-T463 PolarHBondContact O-N 3.27Å; T463-T466 VanDerWaalsContact O-CB 3.29Å; T463-T466 WeakPolarHBondContact O-CB 3.33Å
464	I	87.3	Confident	91.5	Very high	16 Å²	16	50 Å²	50	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.2	177.3	59	169.4	0	0	0	110.8	D439 T466 I524	D439-I464 HydrophobicContact CB-CD1 4.4Å; D439-I464 HydrophobicContact CB-CG1 4.15Å; D439-I464 WeakPolarHBondContact O-CG1 3.34Å; D439-I464 PolarHBondContact O-N 2.9Å; I464-T466 HydrophobicContact CG2-CG2 4.33Å; I464-I524 HydrophobicContact CB-CG2 4.36Å; I464-I524 HydrophobicContact CG2-CB 4.09Å; I464-I524 HydrophobicContact CG2-CD1 4.28Å; I464-I524 HydrophobicContact CG2-CG2 3.73Å
465	P	88.7	Confident	91.2	Very high	85 Å²	85	52.1 Å²	52.1	55%	0.552	28%	0.284	S	S	*	.	S	Bend	cis	-72.1	151	3	30.3	-35.9	0	0	0	113.9	I524	P465-I524 CarbonylContact C-O 3.56Å; P465-I524 WeakPolarHBondContact CA-O 3.15Å; P465-I524 VanDerWaalsContact CB-O 3.23Å; P465-I524 WeakPolarHBondContact CB-O 3.42Å
466	T	92.6	Very high	91	Very high	29 Å²	29	52.9 Å²	52.9	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	154.1	-179.1	-165.6	0	0	0	0	112.9	I458 T462 T463 I464 I524	I458-T466 HydrophobicContact CD1-CG2 4.06Å; I458-T466 HydrophobicContact CG2-CG2 4.37Å; T462-T466 HydrophobicContact CG2-CG2 3.88Å; T463-T466 VanDerWaalsContact O-CB 3.29Å; T463-T466 WeakPolarHBondContact O-CB 3.33Å; I464-T466 HydrophobicContact CG2-CG2 4.33Å; T466-I524 HydrophobicContact CG2-CB 4.29Å; T466-I524 HydrophobicContact CG2-CD1 4.06Å; T466-I524 HydrophobicContact CG2-CG1 4.27Å; T466-I524 PolarHBondContact N-O 3.03Å; T466-I524 PolarHBondContact O-N 3.14Å
467	K	94.6	Very high	90.8	Very high	125 Å²	125	55.5 Å²	55.5	54%	0.543	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131	179.2	-172.1	171	-171.3	153	0	111.4	T521 F522 D523	K467-T521 HydrophobicContact CD-CG2 4.33Å; K467-T521 VanDerWaalsContact CE-CG2 3.4Å; K467-T521 HydrophobicContact CG-CG2 3.97Å; K467-F522 CarbonylContact C-O 3.52Å; K467-F522 VanDerWaalsContact CA-O 3.31Å; K467-F522 WeakPolarHBondContact CA-O 3.44Å; K467-D523 HydrophobicContact CD-CB 4.43Å; K467-D523 HydrophobicContact CG-CB 4.22Å; K467-D523 IonicContact NZ-OD2 2.68Å; K467-D523 PolarHBondContact NZ-OD2 3.39Å
468	K	95.6	Very high	90.5	Very high	107 Å²	107	56.3 Å²	56.3	47%	0.465	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.6	177.2	-68.1	-64.8	-176.3	178.2	0	110.5	I458 T521 F522	I458-K468 HydrophobicContact CD1-CB 4.36Å; I458-K468 HydrophobicContact CD1-CG 4.39Å; I458-K468 HydrophobicContact CG1-CB 3.85Å; I458-K468 HydrophobicContact CG1-CG 3.73Å; K468-T521 CarbonylContact O-C 3.52Å; K468-T521 WeakPolarHBondContact O-CA 3.5Å; K468-F522 PolarHBondContact N-O 3.28Å; K468-F522 PolarHBondContact O-N 3.08Å
469	S	94.9	Very high	90.3	Very high	66 Å²	66	58.5 Å²	58.5	46%	0.462	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.7	176.7	-55.1	0	0	0	0	110	V520 T521	S469-V520 CarbonylContact C-O 3.59Å; S469-V520 VanDerWaalsContact CA-O 3.29Å; S469-V520 WeakPolarHBondContact CA-O 3.37Å; S469-T521 WeakPolarHBondContact CB-OG1 3.06Å; S469-T521 WeakPolarHBondContact OG-CB 3.45Å; S469-T521 VanDerWaalsContact OG-CG2 3.31Å; S469-T521 WeakPolarHBondContact OG-CG2 3.49Å; S469-T521 PolarHBondContact OG-OG1 3.36Å
470	Q	93.6	Very high	90.3	Very high	80 Å²	80	57.1 Å²	57.1	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.7	174.8	-176.6	169.2	-25.8	0	0	110	L457 F472 V520	L457-Q470 HydrophobicContact CD2-CB 3.96Å; L457-Q470 HydrophobicContact CG-CB 4.21Å; Q470-F472 HydrophobicContact CB-CE2 3.83Å; Q470-F472 HydrophobicContact CB-CZ 4.24Å; Q470-F472 HydrophobicContact CG-CE2 3.84Å; Q470-F472 HydrophobicContact CG-CZ 3.89Å; Q470-F472 WeakPolarHBondContact O-CD2 3.5Å; Q470-V520 PolarHBondContact N-O 3.16Å; Q470-V520 PolarHBondContact O-N 3.31Å
471	V	93.7	Very high	90.4	Very high	60 Å²	60	59 Å²	59	36%	0.364	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.6	-179.5	-174.2	0	0	0	0	109.9	Q517 E519 K537	V471-Q517 HydrophobicContact CG1-CB 3.97Å; V471-E519 HydrophobicContact CG2-CB 4.35Å; V471-E519 HydrophobicContact CG2-CG 4.37Å; V471-K537 HydrophobicContact CG2-CD 4.33Å
472	F	91.8	Very high	90.4	Very high	38 Å²	38	58.8 Å²	58.8	17%	0.167	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	176.7	174.1	-63.1	-87.8	0	0	0	109.8	I447 T449 T455 L457 Q470 I518 V520	I447-F472 HydrophobicContact CD1-CD1 4.23Å; I447-F472 HydrophobicContact CD1-CD2 3.86Å; I447-F472 HydrophobicContact CD1-CE1 3.93Å; I447-F472 HydrophobicContact CD1-CE2 3.51Å; I447-F472 HydrophobicContact CD1-CG 4.2Å; I447-F472 HydrophobicContact CD1-CZ 3.56Å; I447-F472 HydrophobicContact CG1-CE1 4.43Å; I447-F472 HydrophobicContact CG1-CE2 4.39Å; I447-F472 HydrophobicContact CG1-CZ 4.05Å; T449-F472 HydrophobicContact CG2-CD1 4.12Å; T449-F472 HydrophobicContact CG2-CE1 3.72Å; T455-F472 HydrophobicContact CG2-CE1 4.21Å; T455-F472 HydrophobicContact CG2-CZ 4.26Å; L457-F472 HydrophobicContact CD1-CE2 4.32Å; L457-F472 HydrophobicContact CD1-CZ 4Å; L457-F472 HydrophobicContact CD2-CE2 4.31Å; Q470-F472 HydrophobicContact CB-CE2 3.83Å; Q470-F472 HydrophobicContact CB-CZ 4.24Å; Q470-F472 HydrophobicContact CG-CE2 3.84Å; Q470-F472 HydrophobicContact CG-CZ 3.89Å; Q470-F472 WeakPolarHBondContact O-CD2 3.5Å; F472-I518 PolarHBondContact N-O 3.12Å; F472-I518 PolarHBondContact O-N 3.19Å; F472-V520 HydrophobicContact CD2-CB 4.05Å; F472-V520 HydrophobicContact CD2-CG2 3.73Å; F472-V520 HydrophobicContact CE2-CB 4.09Å; F472-V520 HydrophobicContact CE2-CG2 4.2Å
473	S	89.7	Confident	90.4	Very high	42 Å²	42	62.3 Å²	62.3	29%	0.294	35%	0.353	S	S	.	.			trans	-142.2	172.9	176.8	-163.5	0	0	0	0	112	G514 P516	S473-G514 WeakPolarHBondContact OG-CA 3.31Å; S473-G514 PolarHBondContact OG-N 3.41Å; S473-G514 PolarHBondContact OG-O 2.97Å; S473-P516 WeakPolarHBondContact CA-O 3.48Å; S473-P516 VanDerWaalsContact CB-O 3.24Å; S473-P516 WeakPolarHBondContact CB-O 3.39Å; S473-P516 PolarHBondContact OG-O 3.23Å
474	T	87.8	Confident	90.5	Very high	8 Å²	8	60 Å²	60	5%	0.049	34%	0.339	C	S	.	.			trans	-68	145.6	176.7	51.1	0	0	0	0	111.6	Q479 V482 G514 P516	T474-Q479 VanDerWaalsContact CB-OE1 3.3Å; T474-Q479 HydrophobicContact CG2-CB 3.89Å; T474-Q479 HydrophobicContact CG2-CG 3.93Å; T474-V482 HydrophobicContact CG2-CG2 3.86Å; T474-G514 PolarHBondContact O-N 2.83Å; T474-P516 HydrophobicContact CG2-CB 4.01Å; T474-P516 HydrophobicContact CG2-CG 3.76Å; T474-P516 WeakPolarHBondContact OG1-CD 3.16Å
475	A	84.4	Confident	90.7	Very high	51 Å²	51	61.7 Å²	61.7	42%	0.421	35%	0.346	S	S	.	.	S	Bend	trans	-88.8	-18.4	-179.2	0	0	0	0	0	113.2	L450	L450-A475 HydrophobicContact CD1-CB 3.97Å; L450-A475 HydrophobicContact CD2-CB 4.38Å
476	A	85.2	Confident	90.8	Very high	51 Å²	51	57.7 Å²	57.7	42%	0.421	32%	0.32	S	S	.	.	S	Bend	trans	-134.2	153.3	-178.3	0	0	0	0	0	112.6	Q479	A476-Q479 VanDerWaalsContact O-CB 3.27Å; A476-Q479 WeakPolarHBondContact O-CB 3.21Å; A476-Q479 PolarHBondContact O-N 3.02Å
477	D	88.9	Confident	90.6	Very high	116 Å²	116	56.3 Å²	56.3	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	137.1	175.5	-65.5	-21	0	0	0	110.5	Q479 R513	D477-Q479 PolarHBondContact O-N 2.8Å; D477-R513 WeakPolarHBondContact OD1-CB 3.08Å; D477-R513 WeakPolarHBondContact OD1-CG 3.38Å; D477-R513 PolarHBondContact OD1-N 3.05Å
478	G	88.9	Confident	90.2	Very high	36 Å²	36	51 Å²	51	37%	0.371	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	9.3	179.2	0	0	0	0	0	114.8	T480 A511	G478-T480 WeakPolarHBondContact O-CG2 3.49Å; G478-T480 PolarHBondContact O-N 2.71Å; G478-A511 PolarHBondContact N-O 3.18Å
479	Q	89.4	Confident	89.7	Confident	49 Å²	49	46.2 Å²	46.2	23%	0.229	27%	0.27	C	S	.	.			trans	-61.9	117.3	178.6	179.6	174.5	1.4	0	0	111.2	T474 A476 D477 Q481	T474-Q479 VanDerWaalsContact CB-OE1 3.3Å; T474-Q479 HydrophobicContact CG2-CB 3.89Å; T474-Q479 HydrophobicContact CG2-CG 3.93Å; A476-Q479 VanDerWaalsContact O-CB 3.27Å; A476-Q479 WeakPolarHBondContact O-CB 3.21Å; A476-Q479 PolarHBondContact O-N 3.02Å; D477-Q479 PolarHBondContact O-N 2.8Å; Q479-Q481 WeakPolarHBondContact CG-O 3.3Å; Q479-Q481 PolarHBondContact NE2-O 2.74Å
480	T	90	Very high	89.2	Confident	66 Å²	66	45.6 Å²	45.6	41%	0.405	26%	0.26	S	S	.	.			trans	-99.4	-2.5	-176.3	56.7	0	0	0	0	114.5	G478 G507 I508 P510	G478-T480 WeakPolarHBondContact O-CG2 3.49Å; G478-T480 PolarHBondContact O-N 2.71Å; T480-G507 PolarHBondContact O-N 2.78Å; T480-I508 VanDerWaalsContact CA-O 3.26Å; T480-I508 WeakPolarHBondContact CA-O 3.23Å; T480-I508 WeakPolarHBondContact CB-O 3.3Å; T480-I508 PolarHBondContact O-N 3.33Å; T480-P510 HydrophobicContact CG2-CG 3.92Å
481	Q	91.2	Very high	88.7	Confident	104 Å²	104	48.7 Å²	48.7	49%	0.486	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147.1	176.6	65.1	-179.4	63.4	0	0	111.3	Q479 T504 L505 V506	Q479-Q481 WeakPolarHBondContact CG-O 3.3Å; Q479-Q481 PolarHBondContact NE2-O 2.74Å; Q481-T504 HydrophobicContact CB-CG2 3.85Å; Q481-T504 HydrophobicContact CG-CG2 4.26Å; Q481-L505 CarbonylContact C-O 3.51Å; Q481-L505 WeakPolarHBondContact CA-O 3.36Å; Q481-V506 HydrophobicContact CB-CG1 4.18Å
482	V	89.5	Confident	88.3	Confident	17 Å²	17	52.3 Å²	52.3	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.9	175.3	172.5	0	0	0	0	108.9	T474 I484 T504 L505 I508 I518	T474-V482 HydrophobicContact CG2-CG2 3.86Å; V482-I484 HydrophobicContact CG1-CD1 3.76Å; V482-I484 HydrophobicContact CG1-CG1 4.41Å; V482-T504 WeakPolarHBondContact O-CA 3.29Å; V482-L505 PolarHBondContact N-O 3.31Å; V482-L505 PolarHBondContact O-N 2.69Å; V482-I508 HydrophobicContact CB-CD1 4.06Å; V482-I508 HydrophobicContact CG2-CD1 3.5Å; V482-I518 HydrophobicContact CG2-CG1 4.32Å
483	E	90.6	Very high	88	Confident	109 Å²	109	54.4 Å²	54.4	51%	0.509	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127	171.3	-176.4	171	-137.8	0	0	109.4	Q502	E483-Q502 PolarHBondContact OE1-NE2 3.05Å
484	I	92.5	Very high	87.8	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.1	175.9	-57.2	-64.1	0	0	0	107.4	I447 V482 V486 Q502 F503 V520 A534	I447-I484 HydrophobicContact CG2-CG2 3.82Å; V482-I484 HydrophobicContact CG1-CD1 3.76Å; V482-I484 HydrophobicContact CG1-CG1 4.41Å; I484-V486 HydrophobicContact CG2-CG2 4.34Å; I484-Q502 CarbonylContact O-C 3.58Å; I484-Q502 WeakPolarHBondContact O-CA 3.47Å; I484-F503 HydrophobicContact CB-CD1 4.15Å; I484-F503 HydrophobicContact CB-CE1 3.75Å; I484-F503 HydrophobicContact CB-CE2 4.2Å; I484-F503 HydrophobicContact CB-CZ 3.79Å; I484-F503 HydrophobicContact CG1-CE2 4.2Å; I484-F503 HydrophobicContact CG1-CZ 4.09Å; I484-F503 HydrophobicContact CG2-CD1 4.39Å; I484-F503 HydrophobicContact CG2-CE1 3.63Å; I484-F503 HydrophobicContact CG2-CZ 3.81Å; I484-F503 PolarHBondContact N-O 2.75Å; I484-F503 PolarHBondContact O-N 3.03Å; I484-V520 HydrophobicContact CD1-CG2 3.78Å; I484-V520 HydrophobicContact CG2-CG1 4.47Å; I484-A534 HydrophobicContact CG1-CB 4.02Å
485	K	91.4	Very high	87.5	Confident	51 Å²	51	56.3 Å²	56.3	22%	0.222	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.5	176.2	-168.7	-167.7	-171.7	177.2	0	110	I447 E448 V499 Q502	I447-K485 CarbonylContact C-O 3.48Å; I447-K485 WeakPolarHBondContact CA-O 3.33Å; E448-K485 HydrophobicContact CB-CB 4.14Å; E448-K485 HydrophobicContact CB-CD 4.23Å; E448-K485 PolarHBondContact N-O 3.17Å; E448-K485 WeakPolarHBondContact OE2-CD 3.46Å; E448-K485 WeakPolarHBondContact OE2-CE 3.45Å; E448-K485 IonicContact OE2-NZ 3.68Å; E448-K485 PolarHBondContact OE2-NZ 2.7Å; K485-V499 HydrophobicContact CD-CG1 4.42Å; K485-V499 HydrophobicContact CG-CG1 3.96Å; K485-Q502 HydrophobicContact CB-CB 4.27Å; K485-Q502 HydrophobicContact CG-CB 4.18Å
486	V	91.6	Very high	87.3	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.9	-175.3	-176.9	0	0	0	0	109.5	I484 L500 G501 F503 F522 V532 I547	I484-V486 HydrophobicContact CG2-CG2 4.34Å; V486-L500 HydrophobicContact CG1-CB 4.25Å; V486-L500 HydrophobicContact CG1-CD1 4.28Å; V486-L500 PolarHBondContact O-N 2.78Å; V486-G501 PolarHBondContact N-O 2.75Å; V486-F503 HydrophobicContact CG2-CE1 4.28Å; V486-F522 HydrophobicContact CG1-CE1 3.69Å; V486-F522 HydrophobicContact CG1-CZ 3.9Å; V486-F522 HydrophobicContact CG2-CZ 4.35Å; V486-V532 HydrophobicContact CG1-CG2 4.14Å; V486-V532 HydrophobicContact CG2-CB 4.17Å; V486-V532 HydrophobicContact CG2-CG1 3.95Å; V486-V532 HydrophobicContact CG2-CG2 3.99Å; V486-I547 HydrophobicContact CB-CD1 4.15Å; V486-I547 HydrophobicContact CG1-CD1 4.31Å; V486-I547 HydrophobicContact CG1-CG1 4.36Å; V486-I547 HydrophobicContact CG2-CD1 4.17Å
487	C	88.6	Confident	87.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.8	-179.2	-55.8	0	0	0	0	111.7	G446 F454 N497 K498	G446-C487 PolarHBondContact N-O 2.79Å; G446-C487 PolarHBondContact O-N 3.37Å; F454-C487 HydrophobicContact CD2-CB 3.83Å; F454-C487 HydrophobicContact CE2-CB 3.61Å; F454-C487 WeakPolarHBondContact CE2-O 3.38Å; C487-N497 HydrophobicContact CB-CB 4.3Å; C487-K498 CarbonylContact C-O 3.5Å; C487-K498 VanDerWaalsContact CA-O 3.24Å; C487-K498 WeakPolarHBondContact CA-O 3.45Å
488	Q	85.3	Confident	86.7	Confident	13 Å²	13	54.9 Å²	54.9	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.6	175	-174.9	179	55	0	0	110.5	L443 S444 L445 K498 L500	L443-Q488 HydrophobicContact CB-CG 3.46Å; L443-Q488 VanDerWaalsContact CB-CG 3.46Å; L443-Q488 HydrophobicContact CD1-CG 3.85Å; L443-Q488 HydrophobicContact CG-CG 4.31Å; S444-Q488 VanDerWaalsContact O-CA 3.3Å; S444-Q488 WeakPolarHBondContact O-CA 3.46Å; L445-Q488 HydrophobicContact CD2-CB 3.89Å; L445-Q488 HydrophobicContact CD2-CG 3.97Å; Q488-K498 PolarHBondContact N-O 2.86Å; Q488-K498 PolarHBondContact O-N 2.86Å; Q488-L500 HydrophobicContact CB-CD1 3.88Å; Q488-L500 HydrophobicContact CB-CD2 4.06Å; Q488-L500 HydrophobicContact CB-CG 3.99Å
489	G	85	Confident	86.5	Confident	8 Å²	8	56 Å²	56	8%	0.082	29%	0.285	C	S	.	.	S	Bend	trans	151.4	-170.3	176	0	0	0	0	0	113.6	S444 F454 N497	S444-G489 WeakPolarHBondContact CB-O 3.29Å; S444-G489 PolarHBondContact O-N 3.34Å; F454-G489 VanDerWaalsContact CE1-O 3.24Å; F454-G489 WeakPolarHBondContact CE1-O 3.33Å; G489-N497 VanDerWaalsContact C-OD1 3.24Å; G489-N497 VanDerWaalsContact CA-OD1 3.23Å; G489-N497 WeakPolarHBondContact CA-OD1 3.45Å
490	E	84.4	Confident	86.1	Confident	53 Å²	53	55.3 Å²	55.3	25%	0.248	28%	0.283	C	S	.	.	S	Bend	trans	-120.1	0.1	-173.6	-63.4	-54.7	143.5	0	0	114.1	L443 S444 K456 R460 N497	L443-E490 HydrophobicContact CD2-CG 4.43Å; S444-E490 VanDerWaalsContact CB-OE1 3.24Å; S444-E490 WeakPolarHBondContact CB-OE1 3.24Å; S444-E490 PolarHBondContact N-OE1 2.9Å; S444-E490 VanDerWaalsContact OG-CD 3.27Å; S444-E490 PolarHBondContact OG-OE1 3.3Å; S444-E490 PolarHBondContact OG-OE2 2.97Å; K456-E490 IonicContact NZ-OE2 3.29Å; K456-E490 PolarHBondContact NZ-OE2 2.97Å; R460-E490 WeakPolarHBondContact CB-OE1 3.28Å; E490-N497 PolarHBondContact N-OD1 3.05Å; E490-N497 VanDerWaalsContact N-OD1 3.11Å
491	R	83.8	Confident	85.9	Confident	145 Å²	145	53 Å²	53	55%	0.547	27%	0.272	S	S	.	.			trans	-81.6	150.3	-178.1	-56.7	-76	-74.1	-106.7	-9.9	110.1	F454 D496 N497	F454-R491 WeakPolarHBondContact CD1-O 3.24Å; R491-D496 HydrophobicContact CB-CB 3.64Å; R491-D496 HydrophobicContact CG-CB 3.9Å; R491-D496 IonicContact CZ-OD2 3.91Å; R491-D496 IonicContact NE-OD2 3.17Å; R491-D496 PolarHBondContact NE-OD2 2.92Å; R491-D496 IonicContact NH2-OD2 3.35Å; R491-D496 PolarHBondContact NH2-OD2 3.05Å; R491-N497 WeakPolarHBondContact CB-OD1 3.44Å; R491-N497 PolarHBondContact N-OD1 3.3Å; R491-N497 PolarHBondContact O-ND2 2.99Å
492	E	83.8	Confident	85.8	Confident	135 Å²	135	53 Å²	53	63%	0.631	27%	0.272	S	S	*	.	S	Bend	trans	-71	-30.1	-177.9	-62.7	-60.4	149.9	0	0	113.3	F454	F454-E492 WeakPolarHBondContact CB-O 3.28Å; F454-E492 PolarHBondContact N-O 3.31Å
493	M	86.1	Confident	85.8	Confident	83 Å²	83	53 Å²	53	41%	0.409	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-96	135.6	179.8	-58.1	-53.5	-65.4	0	0	110.6	G452 A495 D496 N497	G452-M493 WeakPolarHBondContact O-CE 3.35Å; M493-A495 VanDerWaalsContact C-N 3.27Å; M493-A495 PolarHBondContact O-N 3.47Å; M493-D496 PolarHBondContact O-N 3.01Å; M493-D496 VanDerWaalsContact O-N 3.16Å; M493-N497 PolarHBondContact O-ND2 2.96Å
494	A	85.1	Confident	85.9	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.7	-35.1	-178.5	0	0	0	0	0	112.7	E448 G452 F454 D496 N497	E448-A494 HydrophobicContact CB-CB 3.74Å; E448-A494 HydrophobicContact CG-CB 3.65Å; G452-A494 WeakPolarHBondContact O-CB 3.25Å; G452-A494 PolarHBondContact O-N 3.25Å; F454-A494 HydrophobicContact CB-CB 4.38Å; A494-D496 PolarHBondContact O-N 2.83Å; A494-N497 PolarHBondContact O-N 3.17Å; A494-N497 VanDerWaalsContact O-N 3.12Å
495	A	82.4	Confident	85.8	Confident	90 Å²	90	49.9 Å²	49.9	74%	0.744	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23.5	178.6	0	0	0	0	0	114.2	M493 N497	M493-A495 VanDerWaalsContact C-N 3.27Å; M493-A495 PolarHBondContact O-N 3.47Å; A495-N497 VanDerWaalsContact C-N 3.33Å
496	D	79.4	Confident	85.8	Confident	86 Å²	86	51.6 Å²	51.6	46%	0.46	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-88.6	-3.5	178.2	-75.3	-3	0	0	0	112.7	R491 M493 A494	R491-D496 HydrophobicContact CB-CB 3.64Å; R491-D496 HydrophobicContact CG-CB 3.9Å; R491-D496 IonicContact CZ-OD2 3.91Å; R491-D496 IonicContact NE-OD2 3.17Å; R491-D496 PolarHBondContact NE-OD2 2.92Å; R491-D496 IonicContact NH2-OD2 3.35Å; R491-D496 PolarHBondContact NH2-OD2 3.05Å; M493-D496 PolarHBondContact O-N 3.01Å; M493-D496 VanDerWaalsContact O-N 3.16Å; A494-D496 PolarHBondContact O-N 2.83Å
497	N	80.9	Confident	85.5	Confident	18 Å²	18	52.9 Å²	52.9	10%	0.096	29%	0.287	C	S	.	.	S	Bend	trans	-108.1	164.9	-180	-68	-61.5	0	0	0	110.9	F454 C487 G489 E490 R491 M493 A494 A495 V499	F454-N497 WeakPolarHBondContact CD1-ND2 3.48Å; F454-N497 WeakPolarHBondContact CG-ND2 3.48Å; C487-N497 HydrophobicContact CB-CB 4.3Å; G489-N497 VanDerWaalsContact C-OD1 3.24Å; G489-N497 VanDerWaalsContact CA-OD1 3.23Å; G489-N497 WeakPolarHBondContact CA-OD1 3.45Å; E490-N497 PolarHBondContact N-OD1 3.05Å; E490-N497 VanDerWaalsContact N-OD1 3.11Å; R491-N497 WeakPolarHBondContact CB-OD1 3.44Å; R491-N497 PolarHBondContact N-OD1 3.3Å; R491-N497 PolarHBondContact O-ND2 2.99Å; M493-N497 PolarHBondContact O-ND2 2.96Å; A494-N497 PolarHBondContact O-N 3.17Å; A494-N497 VanDerWaalsContact O-N 3.12Å; A495-N497 VanDerWaalsContact C-N 3.33Å; N497-V499 PolarHBondContact O-N 2.82Å
498	K	80.1	Confident	85.6	Confident	83 Å²	83	53.1 Å²	53.1	36%	0.361	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117	178.6	-176.3	67.2	173.4	-170	0	109.6	C487 Q488 L500	C487-K498 CarbonylContact C-O 3.5Å; C487-K498 VanDerWaalsContact CA-O 3.24Å; C487-K498 WeakPolarHBondContact CA-O 3.45Å; Q488-K498 PolarHBondContact N-O 2.86Å; Q488-K498 PolarHBondContact O-N 2.86Å; K498-L500 HydrophobicContact CG-CD2 4.21Å; K498-L500 PolarHBondContact O-N 2.63Å
499	V	84.8	Confident	85.8	Confident	59 Å²	59	55.7 Å²	55.7	36%	0.358	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.6	169.9	-176.2	0	0	0	0	109	K485 N497	K485-V499 HydrophobicContact CD-CG1 4.42Å; K485-V499 HydrophobicContact CG-CG1 3.96Å; N497-V499 PolarHBondContact O-N 2.82Å
500	L	81.6	Confident	86.1	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.188	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-33.8	178.7	-61.3	-173.1	0	0	0	112.5	L445 V486 Q488 K498 I547	L445-L500 HydrophobicContact CD2-CD1 3.55Å; V486-L500 HydrophobicContact CG1-CB 4.25Å; V486-L500 HydrophobicContact CG1-CD1 4.28Å; V486-L500 PolarHBondContact O-N 2.78Å; Q488-L500 HydrophobicContact CB-CD1 3.88Å; Q488-L500 HydrophobicContact CB-CD2 4.06Å; Q488-L500 HydrophobicContact CB-CG 3.99Å; K498-L500 HydrophobicContact CG-CD2 4.21Å; K498-L500 PolarHBondContact O-N 2.63Å; L500-I547 HydrophobicContact CB-CG2 3.76Å; L500-I547 HydrophobicContact CD1-CG2 4.14Å
501	G	84.9	Confident	86.5	Confident	17 Å²	17	58.9 Å²	58.9	18%	0.175	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.4	169.9	179.8	0	0	0	0	0	112	V486	V486-G501 PolarHBondContact N-O 2.75Å
502	Q	89.3	Confident	86.9	Confident	105 Å²	105	55.9 Å²	55.9	49%	0.491	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.6	175.1	71.1	-167.1	61	0	0	111.3	E483 I484 K485	E483-Q502 PolarHBondContact OE1-NE2 3.05Å; I484-Q502 CarbonylContact O-C 3.58Å; I484-Q502 WeakPolarHBondContact O-CA 3.47Å; K485-Q502 HydrophobicContact CB-CB 4.27Å; K485-Q502 HydrophobicContact CG-CB 4.18Å
503	F	90.6	Very high	87.1	Confident	16 Å²	16	57.8 Å²	57.8	7%	0.07	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.9	175.1	64.4	-79.7	0	0	0	110.5	I484 V486 V532 A534 Q543 I545	I484-F503 HydrophobicContact CB-CD1 4.15Å; I484-F503 HydrophobicContact CB-CE1 3.75Å; I484-F503 HydrophobicContact CB-CE2 4.2Å; I484-F503 HydrophobicContact CB-CZ 3.79Å; I484-F503 HydrophobicContact CG1-CE2 4.2Å; I484-F503 HydrophobicContact CG1-CZ 4.09Å; I484-F503 HydrophobicContact CG2-CD1 4.39Å; I484-F503 HydrophobicContact CG2-CE1 3.63Å; I484-F503 HydrophobicContact CG2-CZ 3.81Å; I484-F503 PolarHBondContact N-O 2.75Å; I484-F503 PolarHBondContact O-N 3.03Å; V486-F503 HydrophobicContact CG2-CE1 4.28Å; F503-V532 HydrophobicContact CE1-CB 4.27Å; F503-V532 HydrophobicContact CE1-CG1 3.9Å; F503-V532 HydrophobicContact CZ-CG1 4.04Å; F503-A534 HydrophobicContact CE2-CB 3.65Å; F503-A534 HydrophobicContact CZ-CB 3.93Å; F503-Q543 HydrophobicContact CD2-CB 4.09Å; F503-Q543 HydrophobicContact CD2-CG 3.68Å; F503-Q543 HydrophobicContact CE2-CB 4.32Å; F503-Q543 HydrophobicContact CE2-CG 4.36Å; F503-Q543 WeakPolarHBondContact CE2-O 3.49Å; F503-I545 HydrophobicContact CB-CB 4.35Å; F503-I545 HydrophobicContact CD1-CB 3.75Å; F503-I545 HydrophobicContact CD1-CG2 3.26Å; F503-I545 HydrophobicContact CE1-CB 4.25Å; F503-I545 HydrophobicContact CE1-CG2 3.4Å; F503-I545 HydrophobicContact CG-CB 4.14Å; F503-I545 HydrophobicContact CG-CG2 4.14Å; F503-I545 HydrophobicContact CZ-CG2 4.35Å
504	T	91.9	Very high	87.1	Confident	46 Å²	46	55.9 Å²	55.9	28%	0.282	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.3	-176.7	-53.6	0	0	0	0	110.2	Q481 V482 V506	Q481-T504 HydrophobicContact CB-CG2 3.85Å; Q481-T504 HydrophobicContact CG-CG2 4.26Å; V482-T504 WeakPolarHBondContact O-CA 3.29Å; T504-V506 HydrophobicContact CG2-CG1 3.78Å; T504-V506 PolarHBondContact O-N 3.04Å
505	L	90.8	Very high	87.4	Confident	3 Å²	3	60 Å²	60	2%	0.016	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	111.2	166.7	179.3	64.4	0	0	0	108.2	Q481 V482 I508 I518 A534 D536 Q543	Q481-L505 CarbonylContact C-O 3.51Å; Q481-L505 WeakPolarHBondContact CA-O 3.36Å; V482-L505 PolarHBondContact N-O 3.31Å; V482-L505 PolarHBondContact O-N 2.69Å; L505-I508 HydrophobicContact CD2-CD1 4.47Å; L505-I518 HydrophobicContact CD2-CD1 4Å; L505-I518 HydrophobicContact CD2-CG2 3.85Å; L505-A534 HydrophobicContact CD2-CB 4.4Å; L505-D536 HydrophobicContact CD2-CB 4.27Å; L505-Q543 HydrophobicContact CB-CB 4.48Å; L505-Q543 HydrophobicContact CD1-CB 3.88Å
506	V	91.3	Very high	87.8	Confident	88 Å²	88	56.3 Å²	56.3	53%	0.533	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	156	-176.8	-63.9	0	0	0	0	112.3	Q481 T504	Q481-V506 HydrophobicContact CB-CG1 4.18Å; T504-V506 HydrophobicContact CG2-CG1 3.78Å; T504-V506 PolarHBondContact O-N 3.04Å
507	G	86.4	Confident	88.5	Confident	27 Å²	27	56.3 Å²	56.3	28%	0.278	33%	0.325	S	S	.	.			trans	80.3	36.9	170.6	0	0	0	0	0	113.6	T480 R541	T480-G507 PolarHBondContact O-N 2.78Å; G507-R541 PolarHBondContact O-NH1 2.85Å
508	I	89.9	Confident	89.1	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-75	131	166.1	-59.2	165.3	0	0	0	107.5	T480 V482 L505 P516 I518	T480-I508 VanDerWaalsContact CA-O 3.26Å; T480-I508 WeakPolarHBondContact CA-O 3.23Å; T480-I508 WeakPolarHBondContact CB-O 3.3Å; T480-I508 PolarHBondContact O-N 3.33Å; V482-I508 HydrophobicContact CB-CD1 4.06Å; V482-I508 HydrophobicContact CG2-CD1 3.5Å; L505-I508 HydrophobicContact CD2-CD1 4.47Å; I508-P516 HydrophobicContact CG2-CB 3.82Å; I508-P516 HydrophobicContact CG2-CG 3.84Å; I508-I518 HydrophobicContact CD1-CD1 3.85Å; I508-I518 HydrophobicContact CG1-CD1 4.32Å
509	P	89.9	Confident	89.8	Confident	67 Å²	67	53.9 Å²	53.9	44%	0.435	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-62.1	140.7	176.3	-23.5	34.4	0	0	0	111.3	A511 T539	P509-A511 PolarHBondContact O-N 3.04Å; P509-A511 VanDerWaalsContact O-N 3.12Å; P509-T539 HydrophobicContact CG-CG2 3.52Å
510	P	91.5	Very high	90.3	Very high	103 Å²	103	51 Å²	51	67%	0.669	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-56.9	119.2	175	-23.6	32.7	0	0	0	111.3	T480	T480-P510 HydrophobicContact CG2-CG 3.92Å
511	A	91.9	Very high	91	Very high	24 Å²	24	50 Å²	50	20%	0.198	29%	0.292	C	S	.	.			trans	-144	161.4	177.7	0	0	0	0	0	109.9	G478 P509 V515 P516	G478-A511 PolarHBondContact N-O 3.18Å; P509-A511 PolarHBondContact O-N 3.04Å; P509-A511 VanDerWaalsContact O-N 3.12Å; A511-V515 HydrophobicContact CB-CB 4.09Å; A511-V515 HydrophobicContact CB-CG1 4.14Å; A511-P516 HydrophobicContact CB-CG 4.12Å
512	P	91.7	Very high	91.4	Very high	83 Å²	83	49.1 Å²	49.1	54%	0.539	28%	0.284	S	S	.	.			trans	-55.2	148.4	169.6	-22.9	33.3	0	0	0	111.4	V515	P512-V515 HydrophobicContact CB-CG2 4.05Å; P512-V515 HydrophobicContact CG-CG2 4.34Å; P512-V515 WeakPolarHBondContact O-CB 3.41Å; P512-V515 WeakPolarHBondContact O-CG2 3.38Å; P512-V515 PolarHBondContact O-N 2.81Å
513	R	88.8	Confident	91.5	Very high	175 Å²	175	46.8 Å²	46.8	66%	0.66	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	142.9	174.6	71.1	-178.1	-178.5	160.3	-0.3	110.3	D477 V515	D477-R513 WeakPolarHBondContact OD1-CB 3.08Å; D477-R513 WeakPolarHBondContact OD1-CG 3.38Å; D477-R513 PolarHBondContact OD1-N 3.05Å; R513-V515 VanDerWaalsContact C-N 3.26Å; R513-V515 PolarHBondContact O-N 3.44Å
514	G	85.4	Confident	91.4	Very high	43 Å²	43	46.1 Å²	46.1	44%	0.443	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-12.9	-178.5	0	0	0	0	0	115.1	S473 T474 Q517	S473-G514 WeakPolarHBondContact OG-CA 3.31Å; S473-G514 PolarHBondContact OG-N 3.41Å; S473-G514 PolarHBondContact OG-O 2.97Å; T474-G514 PolarHBondContact O-N 2.83Å; G514-Q517 PolarHBondContact O-NE2 2.88Å
515	V	92.4	Very high	90.9	Very high	87 Å²	87	45.5 Å²	45.5	53%	0.527	27%	0.267	S	S	.	.			trans	-80.8	-52.7	-179.7	176.7	0	0	0	0	112.6	A511 P512 R513 Q517	A511-V515 HydrophobicContact CB-CB 4.09Å; A511-V515 HydrophobicContact CB-CG1 4.14Å; P512-V515 HydrophobicContact CB-CG2 4.05Å; P512-V515 HydrophobicContact CG-CG2 4.34Å; P512-V515 WeakPolarHBondContact O-CB 3.41Å; P512-V515 WeakPolarHBondContact O-CG2 3.38Å; P512-V515 PolarHBondContact O-N 2.81Å; R513-V515 VanDerWaalsContact C-N 3.26Å; R513-V515 PolarHBondContact O-N 3.44Å; V515-Q517 PolarHBondContact O-N 3.44Å; V515-Q517 PolarHBondContact O-NE2 2.82Å
516	P	91.2	Very high	90.1	Very high	12 Å²	12	46.9 Å²	46.9	8%	0.078	28%	0.279	C	S	.	.	S	Bend	trans	-58.5	135.4	177.9	-24.3	36.3	0	0	0	111.5	S473 T474 I508 A511 I518	S473-P516 WeakPolarHBondContact CA-O 3.48Å; S473-P516 VanDerWaalsContact CB-O 3.24Å; S473-P516 WeakPolarHBondContact CB-O 3.39Å; S473-P516 PolarHBondContact OG-O 3.23Å; T474-P516 HydrophobicContact CG2-CB 4.01Å; T474-P516 HydrophobicContact CG2-CG 3.76Å; T474-P516 WeakPolarHBondContact OG1-CD 3.16Å; I508-P516 HydrophobicContact CG2-CB 3.82Å; I508-P516 HydrophobicContact CG2-CG 3.84Å; A511-P516 HydrophobicContact CB-CG 4.12Å; P516-I518 HydrophobicContact CB-CD1 4.24Å
517	Q	93.1	Very high	89	Confident	86 Å²	86	46.5 Å²	46.5	40%	0.402	27%	0.273	S	S	.	.			trans	-108.9	100	-178	-62.9	-64.1	-55.8	0	0	108.7	V471 G514 V515 K537	V471-Q517 HydrophobicContact CG1-CB 3.97Å; G514-Q517 PolarHBondContact O-NE2 2.88Å; V515-Q517 PolarHBondContact O-N 3.44Å; V515-Q517 PolarHBondContact O-NE2 2.82Å; Q517-K537 HydrophobicContact CB-CB 4.16Å; Q517-K537 HydrophobicContact CB-CD 4.29Å; Q517-K537 HydrophobicContact CB-CG 4.34Å; Q517-K537 PolarHBondContact O-N 2.62Å
518	I	93.3	Very high	88.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	102.2	-176.6	-48.7	-52.7	0	0	0	108.6	F472 V482 L505 I508 P516 V520 A534 D536	F472-I518 PolarHBondContact N-O 3.12Å; F472-I518 PolarHBondContact O-N 3.19Å; V482-I518 HydrophobicContact CG2-CG1 4.32Å; L505-I518 HydrophobicContact CD2-CD1 4Å; L505-I518 HydrophobicContact CD2-CG2 3.85Å; I508-I518 HydrophobicContact CD1-CD1 3.85Å; I508-I518 HydrophobicContact CG1-CD1 4.32Å; P516-I518 HydrophobicContact CB-CD1 4.24Å; I518-V520 HydrophobicContact CG2-CG2 4.39Å; I518-V520 PolarHBondContact O-N 2.98Å; I518-A534 HydrophobicContact CG2-CB 4.24Å; I518-D536 HydrophobicContact CD1-CB 3.87Å
519	E	95.7	Very high	87.7	Confident	48 Å²	48	47.9 Å²	47.9	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.7	176.5	-172.9	171.4	-94.8	0	0	109.6	V471 A534 K535 K537	V471-E519 HydrophobicContact CG2-CB 4.35Å; V471-E519 HydrophobicContact CG2-CG 4.37Å; E519-A534 CarbonylContact O-C 3.59Å; E519-A534 VanDerWaalsContact O-CA 3.32Å; E519-A534 WeakPolarHBondContact O-CA 3.43Å; E519-K535 PolarHBondContact N-O 2.89Å; E519-K535 PolarHBondContact O-N 3.47Å; E519-K537 HydrophobicContact CB-CD 4.21Å; E519-K537 HydrophobicContact CB-CG 4.09Å; E519-K537 IonicContact OE1-NZ 3.38Å; E519-K537 PolarHBondContact OE1-NZ 3.31Å
520	V	95.1	Very high	87.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	174.5	-177.1	0	0	0	0	108.3	I447 L457 S469 Q470 F472 I484 I518 F522 V532 S533 A534	I447-V520 HydrophobicContact CD1-CG2 4.27Å; I447-V520 HydrophobicContact CG2-CG1 4.36Å; L457-V520 HydrophobicContact CD2-CB 4.5Å; L457-V520 HydrophobicContact CD2-CG1 4.36Å; S469-V520 CarbonylContact C-O 3.59Å; S469-V520 VanDerWaalsContact CA-O 3.29Å; S469-V520 WeakPolarHBondContact CA-O 3.37Å; Q470-V520 PolarHBondContact N-O 3.16Å; Q470-V520 PolarHBondContact O-N 3.31Å; F472-V520 HydrophobicContact CD2-CB 4.05Å; F472-V520 HydrophobicContact CD2-CG2 3.73Å; F472-V520 HydrophobicContact CE2-CB 4.09Å; F472-V520 HydrophobicContact CE2-CG2 4.2Å; I484-V520 HydrophobicContact CD1-CG2 3.78Å; I484-V520 HydrophobicContact CG2-CG1 4.47Å; I518-V520 HydrophobicContact CG2-CG2 4.39Å; I518-V520 PolarHBondContact O-N 2.98Å; V520-F522 HydrophobicContact CG1-CD2 4.12Å; V520-F522 HydrophobicContact CG1-CE2 3.73Å; V520-V532 HydrophobicContact CG1-CG1 4.04Å; V520-S533 CarbonylContact C-O 3.56Å; V520-S533 VanDerWaalsContact CA-O 3.31Å; V520-S533 WeakPolarHBondContact CA-O 3.24Å; V520-A534 HydrophobicContact CG2-CB 4.2Å
521	T	95.5	Very high	87.2	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.08	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.5	-178.1	-61.9	0	0	0	0	110	K467 K468 S469 V532 S533	K467-T521 HydrophobicContact CD-CG2 4.33Å; K467-T521 VanDerWaalsContact CE-CG2 3.4Å; K467-T521 HydrophobicContact CG-CG2 3.97Å; K468-T521 CarbonylContact O-C 3.52Å; K468-T521 WeakPolarHBondContact O-CA 3.5Å; S469-T521 WeakPolarHBondContact CB-OG1 3.06Å; S469-T521 WeakPolarHBondContact OG-CB 3.45Å; S469-T521 VanDerWaalsContact OG-CG2 3.31Å; S469-T521 WeakPolarHBondContact OG-CG2 3.49Å; S469-T521 PolarHBondContact OG-OG1 3.36Å; T521-V532 CarbonylContact O-C 3.6Å; T521-V532 VanDerWaalsContact O-CA 3.3Å; T521-V532 WeakPolarHBondContact O-CA 3.49Å; T521-S533 PolarHBondContact N-O 3.25Å; T521-S533 PolarHBondContact O-N 3.06Å
522	F	94.6	Very high	87.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.2	169.3	-77.8	-115.2	0	0	0	108.4	L445 I447 L457 I458 K467 K468 V486 V520 V530 H531 V532	L445-F522 HydrophobicContact CB-CD1 4.04Å; L445-F522 HydrophobicContact CB-CE1 4.01Å; I447-F522 HydrophobicContact CG2-CE2 3.7Å; I447-F522 HydrophobicContact CG2-CZ 3.6Å; L457-F522 HydrophobicContact CB-CD2 4.14Å; L457-F522 HydrophobicContact CB-CE2 4.42Å; L457-F522 HydrophobicContact CD1-CE2 4.32Å; L457-F522 HydrophobicContact CD2-CD2 3.49Å; L457-F522 VanDerWaalsContact CD2-CD2 3.49Å; L457-F522 HydrophobicContact CD2-CE2 3.67Å; L457-F522 HydrophobicContact CG-CD2 4.33Å; L457-F522 HydrophobicContact CG-CE2 4.36Å; I458-F522 HydrophobicContact CD1-CB 3.57Å; I458-F522 HydrophobicContact CD1-CG 4.5Å; I458-F522 HydrophobicContact CG1-CB 4.25Å; K467-F522 CarbonylContact C-O 3.52Å; K467-F522 VanDerWaalsContact CA-O 3.31Å; K467-F522 WeakPolarHBondContact CA-O 3.44Å; K468-F522 PolarHBondContact N-O 3.28Å; K468-F522 PolarHBondContact O-N 3.08Å; V486-F522 HydrophobicContact CG1-CE1 3.69Å; V486-F522 HydrophobicContact CG1-CZ 3.9Å; V486-F522 HydrophobicContact CG2-CZ 4.35Å; V520-F522 HydrophobicContact CG1-CD2 4.12Å; V520-F522 HydrophobicContact CG1-CE2 3.73Å; F522-V530 HydrophobicContact CD1-CG1 3.86Å; F522-V530 HydrophobicContact CE1-CG1 4.42Å; F522-H531 WeakPolarHBondContact CA-O 3.24Å; F522-V532 HydrophobicContact CD1-CG2 3.76Å; F522-V532 HydrophobicContact CD2-CG1 4.1Å; F522-V532 HydrophobicContact CD2-CG2 4.45Å; F522-V532 HydrophobicContact CE1-CG2 3.67Å; F522-V532 HydrophobicContact CE2-CG1 3.78Å; F522-V532 HydrophobicContact CE2-CG2 4.37Å; F522-V532 HydrophobicContact CG-CG2 4.17Å; F522-V532 HydrophobicContact CZ-CG1 4.01Å; F522-V532 HydrophobicContact CZ-CG2 3.99Å
523	D	91.1	Very high	87.3	Confident	55 Å²	55	39.2 Å²	39.2	29%	0.294	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.1	177.9	-165.5	-11.1	0	0	0	107.8	K467 H531	K467-D523 HydrophobicContact CD-CB 4.43Å; K467-D523 HydrophobicContact CG-CB 4.22Å; K467-D523 IonicContact NZ-OD2 2.68Å; K467-D523 PolarHBondContact NZ-OD2 3.39Å; D523-H531 HydrophobicContact CB-CB 4.21Å; D523-H531 PolarHBondContact N-O 3.04Å; D523-H531 PolarHBondContact O-N 2.89Å
524	I	87	Confident	87.5	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.3	-179.2	-47.2	178.1	0	0	0	108	T441 L445 I458 I464 P465 T466 I529 V530	T441-I524 HydrophobicContact CG2-CD1 4.4Å; L445-I524 HydrophobicContact CD1-CD1 3.44Å; L445-I524 VanDerWaalsContact CD1-CD1 3.44Å; L445-I524 HydrophobicContact CD1-CG1 4.16Å; I458-I524 HydrophobicContact CD1-CD1 3.54Å; I458-I524 HydrophobicContact CD1-CG1 3.74Å; I458-I524 HydrophobicContact CG2-CD1 4Å; I464-I524 HydrophobicContact CB-CG2 4.36Å; I464-I524 HydrophobicContact CG2-CB 4.09Å; I464-I524 HydrophobicContact CG2-CD1 4.28Å; I464-I524 HydrophobicContact CG2-CG2 3.73Å; P465-I524 CarbonylContact C-O 3.56Å; P465-I524 WeakPolarHBondContact CA-O 3.15Å; P465-I524 VanDerWaalsContact CB-O 3.23Å; P465-I524 WeakPolarHBondContact CB-O 3.42Å; T466-I524 HydrophobicContact CG2-CB 4.29Å; T466-I524 HydrophobicContact CG2-CD1 4.06Å; T466-I524 HydrophobicContact CG2-CG1 4.27Å; T466-I524 PolarHBondContact N-O 3.03Å; T466-I524 PolarHBondContact O-N 3.14Å; I524-I529 WeakPolarHBondContact CA-O 3.07Å; I524-V530 HydrophobicContact CG1-CG2 4.32Å
525	D	82.3	Confident	88	Confident	34 Å²	34	32.7 Å²	32.7	18%	0.182	18%	0.178	C	C	.	.			trans	-80.8	-179.1	178.6	83.4	-6.2	0	0	0	112.9	N527 G528 I529	D525-N527 PolarHBondContact O-N 2.96Å; D525-N527 VanDerWaalsContact OD1-CA 3.28Å; D525-N527 WeakPolarHBondContact OD1-CA 3.47Å; D525-N527 VanDerWaalsContact OD1-CB 3.32Å; D525-N527 WeakPolarHBondContact OD1-CB 3.47Å; D525-N527 PolarHBondContact OD1-N 3.39Å; D525-N527 PolarHBondContact OD2-ND2 3.02Å; D525-G528 PolarHBondContact O-N 2.83Å; D525-G528 VanDerWaalsContact O-N 3.09Å; D525-G528 PolarHBondContact OD1-N 2.78Å; D525-I529 PolarHBondContact N-O 3.31Å; D525-I529 VanDerWaalsContact N-O 3.09Å; D525-I529 PolarHBondContact OD1-N 3.3Å
526	A	73.2	Confident	88.1	Confident	32 Å²	32	28.8 Å²	28.8	26%	0.264	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.5	179.7	0	0	0	0	0	114.2	R218	R218-A526 PolarHBondContact NH2-O 2.88Å; R218-A526 VanDerWaalsContact NH2-O 3.14Å
527	N	68.2	Low	88.2	Confident	79 Å²	79	33.6 Å²	33.6	42%	0.422	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.4	174.2	-55.9	-60	0	0	0	112.2	D525 I529	D525-N527 PolarHBondContact O-N 2.96Å; D525-N527 VanDerWaalsContact OD1-CA 3.28Å; D525-N527 WeakPolarHBondContact OD1-CA 3.47Å; D525-N527 VanDerWaalsContact OD1-CB 3.32Å; D525-N527 WeakPolarHBondContact OD1-CB 3.47Å; D525-N527 PolarHBondContact OD1-N 3.39Å; D525-N527 PolarHBondContact OD2-ND2 3.02Å; N527-I529 HydrophobicContact CB-CD1 4.37Å; N527-I529 HydrophobicContact CB-CG1 4.22Å
528	G	73.9	Confident	88	Confident	16 Å²	16	32.9 Å²	32.9	17%	0.165	19%	0.189	C	C	.	.			trans	83.5	8.3	-174.8	0	0	0	0	0	114.3	D525 V530	D525-G528 PolarHBondContact O-N 2.83Å; D525-G528 VanDerWaalsContact O-N 3.09Å; D525-G528 PolarHBondContact OD1-N 2.78Å; G528-V530 PolarHBondContact O-N 2.87Å
529	I	76.2	Confident	87.8	Confident	46 Å²	46	35.7 Å²	35.7	24%	0.236	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-72.1	128.3	178.5	-61.3	175	0	0	0	109	I524 D525 N527 V546	I524-I529 WeakPolarHBondContact CA-O 3.07Å; D525-I529 PolarHBondContact N-O 3.31Å; D525-I529 VanDerWaalsContact N-O 3.09Å; D525-I529 PolarHBondContact OD1-N 3.3Å; N527-I529 HydrophobicContact CB-CD1 4.37Å; N527-I529 HydrophobicContact CB-CG1 4.22Å; I529-V546 HydrophobicContact CG2-CG1 4.25Å
530	V	83.4	Confident	87.4	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.1	-176.1	-170.4	0	0	0	0	110.5	L445 F522 I524 G528 V532 I547	L445-V530 HydrophobicContact CD1-CG1 4.24Å; L445-V530 HydrophobicContact CD1-CG2 3.64Å; L445-V530 HydrophobicContact CD2-CG2 4.35Å; F522-V530 HydrophobicContact CD1-CG1 3.86Å; F522-V530 HydrophobicContact CE1-CG1 4.42Å; I524-V530 HydrophobicContact CG1-CG2 4.32Å; G528-V530 PolarHBondContact O-N 2.87Å; V530-V532 HydrophobicContact CG1-CG2 3.76Å; V530-I547 HydrophobicContact CB-CB 4.21Å; V530-I547 HydrophobicContact CB-CG1 4.47Å; V530-I547 WeakPolarHBondContact O-CA 3.3Å; V530-I547 VanDerWaalsContact O-CB 3.27Å; V530-I547 WeakPolarHBondContact O-CB 3.36Å; V530-I547 PolarHBondContact O-N 2.92Å
531	H	87.3	Confident	87.1	Confident	71 Å²	71	42.1 Å²	42.1	33%	0.329	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.2	168	-57.6	-96	0	0	0	108.6	F522 D523	F522-H531 WeakPolarHBondContact CA-O 3.24Å; D523-H531 HydrophobicContact CB-CB 4.21Å; D523-H531 PolarHBondContact N-O 3.04Å; D523-H531 PolarHBondContact O-N 2.89Å
532	V	91.6	Very high	86.9	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.1	177.6	-172	0	0	0	0	109.2	V486 F503 V520 T521 F522 V530 Q544 I545 I547	V486-V532 HydrophobicContact CG1-CG2 4.14Å; V486-V532 HydrophobicContact CG2-CB 4.17Å; V486-V532 HydrophobicContact CG2-CG1 3.95Å; V486-V532 HydrophobicContact CG2-CG2 3.99Å; F503-V532 HydrophobicContact CE1-CB 4.27Å; F503-V532 HydrophobicContact CE1-CG1 3.9Å; F503-V532 HydrophobicContact CZ-CG1 4.04Å; V520-V532 HydrophobicContact CG1-CG1 4.04Å; T521-V532 CarbonylContact O-C 3.6Å; T521-V532 VanDerWaalsContact O-CA 3.3Å; T521-V532 WeakPolarHBondContact O-CA 3.49Å; F522-V532 HydrophobicContact CD1-CG2 3.76Å; F522-V532 HydrophobicContact CD2-CG1 4.1Å; F522-V532 HydrophobicContact CD2-CG2 4.45Å; F522-V532 HydrophobicContact CE1-CG2 3.67Å; F522-V532 HydrophobicContact CE2-CG1 3.78Å; F522-V532 HydrophobicContact CE2-CG2 4.37Å; F522-V532 HydrophobicContact CG-CG2 4.17Å; F522-V532 HydrophobicContact CZ-CG1 4.01Å; F522-V532 HydrophobicContact CZ-CG2 3.99Å; V530-V532 HydrophobicContact CG1-CG2 3.76Å; V532-Q544 WeakPolarHBondContact O-CA 3.49Å; V532-I545 HydrophobicContact CB-CG2 3.99Å; V532-I545 PolarHBondContact N-O 2.8Å; V532-I545 PolarHBondContact O-N 2.99Å; V532-I547 HydrophobicContact CG2-CG1 3.91Å
533	S	93.6	Very high	86.7	Confident	18 Å²	18	50.5 Å²	50.5	13%	0.126	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.7	172.5	77.6	0	0	0	0	111.5	V520 T521 E542	V520-S533 CarbonylContact C-O 3.56Å; V520-S533 VanDerWaalsContact CA-O 3.31Å; V520-S533 WeakPolarHBondContact CA-O 3.24Å; T521-S533 PolarHBondContact N-O 3.25Å; T521-S533 PolarHBondContact O-N 3.06Å; S533-E542 VanDerWaalsContact CB-OE1 3.26Å; S533-E542 WeakPolarHBondContact CB-OE1 3.48Å; S533-E542 PolarHBondContact OG-OE1 3.49Å; S533-E542 VanDerWaalsContact OG-OE1 3.08Å
534	A	94.6	Very high	86.5	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.6	171.7	0	0	0	0	0	109	I484 F503 L505 I518 E519 V520 E542 Q543	I484-A534 HydrophobicContact CG1-CB 4.02Å; F503-A534 HydrophobicContact CE2-CB 3.65Å; F503-A534 HydrophobicContact CZ-CB 3.93Å; L505-A534 HydrophobicContact CD2-CB 4.4Å; I518-A534 HydrophobicContact CG2-CB 4.24Å; E519-A534 CarbonylContact O-C 3.59Å; E519-A534 VanDerWaalsContact O-CA 3.32Å; E519-A534 WeakPolarHBondContact O-CA 3.43Å; V520-A534 HydrophobicContact CG2-CB 4.2Å; A534-E542 WeakPolarHBondContact O-CA 3.35Å; A534-Q543 PolarHBondContact N-O 3Å; A534-Q543 PolarHBondContact O-N 3.11Å
535	K	94.9	Very high	86.2	Confident	80 Å²	80	56 Å²	56	35%	0.348	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.5	-178.1	-176.9	174.4	-178	172.2	0	110.7	E519 K537 R541 E542	E519-K535 PolarHBondContact N-O 2.89Å; E519-K535 PolarHBondContact O-N 3.47Å; K535-K537 PolarHBondContact O-N 3.44Å; K535-R541 CarbonylContact C-O 3.58Å; K535-R541 WeakPolarHBondContact CA-O 3.43Å; K535-E542 HydrophobicContact CB-CB 4.29Å; K535-E542 HydrophobicContact CB-CG 4.33Å; K535-E542 HydrophobicContact CG-CB 4.28Å
536	D	94.4	Very high	86	Confident	5 Å²	5	57 Å²	57	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.2	166.2	172.4	19.6	0	0	0	109	L505 I518 G538 T539 G540 R541	L505-D536 HydrophobicContact CD2-CB 4.27Å; I518-D536 HydrophobicContact CD1-CB 3.87Å; D536-G538 PolarHBondContact O-N 3.25Å; D536-G538 PolarHBondContact OD1-N 3.47Å; D536-T539 WeakPolarHBondContact OD2-CB 3.47Å; D536-T539 VanDerWaalsContact OD2-CG2 3.22Å; D536-T539 WeakPolarHBondContact OD2-CG2 3.38Å; D536-T539 PolarHBondContact OD2-N 2.97Å; D536-T539 PolarHBondContact OD2-OG1 3.24Å; D536-G540 VanDerWaalsContact O-CA 3.24Å; D536-G540 WeakPolarHBondContact O-CA 2.93Å; D536-G540 PolarHBondContact O-N 3.17Å; D536-R541 PolarHBondContact N-O 2.95Å
537	K	93.1	Very high	85.9	Confident	114 Å²	114	55.6 Å²	55.6	50%	0.496	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.5	-178.8	-58.1	-174.1	78.9	138.2	0	112.7	V471 Q517 E519 K535	V471-K537 HydrophobicContact CG2-CD 4.33Å; Q517-K537 HydrophobicContact CB-CB 4.16Å; Q517-K537 HydrophobicContact CB-CD 4.29Å; Q517-K537 HydrophobicContact CB-CG 4.34Å; Q517-K537 PolarHBondContact O-N 2.62Å; E519-K537 HydrophobicContact CB-CD 4.21Å; E519-K537 HydrophobicContact CB-CG 4.09Å; E519-K537 IonicContact OE1-NZ 3.38Å; E519-K537 PolarHBondContact OE1-NZ 3.31Å; K535-K537 PolarHBondContact O-N 3.44Å
538	G	88.3	Confident	85.6	Confident	70 Å²	70	58.7 Å²	58.7	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-51	178.8	0	0	0	0	0	112.5	D536	D536-G538 PolarHBondContact O-N 3.25Å; D536-G538 PolarHBondContact OD1-N 3.47Å
539	T	89.1	Confident	84.9	Confident	61 Å²	61	58.6 Å²	58.6	37%	0.374	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.8	-178	61	0	0	0	0	114.4	P509 D536 R541	P509-T539 HydrophobicContact CG-CG2 3.52Å; D536-T539 WeakPolarHBondContact OD2-CB 3.47Å; D536-T539 VanDerWaalsContact OD2-CG2 3.22Å; D536-T539 WeakPolarHBondContact OD2-CG2 3.38Å; D536-T539 PolarHBondContact OD2-N 2.97Å; D536-T539 PolarHBondContact OD2-OG1 3.24Å; T539-R541 PolarHBondContact O-N 3.47Å; T539-R541 WeakPolarHBondContact OG1-CB 3.28Å; T539-R541 PolarHBondContact OG1-N 2.96Å
540	G	88.6	Confident	84.2	Confident	41 Å²	41	60.1 Å²	60.1	42%	0.423	32%	0.323	S	S	.	.			trans	72.7	1.7	-172.4	0	0	0	0	0	114.1	D536	D536-G540 VanDerWaalsContact O-CA 3.24Å; D536-G540 WeakPolarHBondContact O-CA 2.93Å; D536-G540 PolarHBondContact O-N 3.17Å
541	R	88.9	Confident	83.1	Confident	141 Å²	141	60.2 Å²	60.2	53%	0.532	33%	0.325	S	S	.	.			trans	-65.2	134.8	175.6	-72.1	-177.7	172.2	-178.9	-6.9	109.8	G507 K535 D536 T539	G507-R541 PolarHBondContact O-NH1 2.85Å; K535-R541 CarbonylContact C-O 3.58Å; K535-R541 WeakPolarHBondContact CA-O 3.43Å; D536-R541 PolarHBondContact N-O 2.95Å; T539-R541 PolarHBondContact O-N 3.47Å; T539-R541 WeakPolarHBondContact OG1-CB 3.28Å; T539-R541 PolarHBondContact OG1-N 2.96Å
542	E	91.6	Very high	82.2	Confident	98 Å²	98	57.5 Å²	57.5	46%	0.458	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.3	-179.2	-179.7	169.7	-157	0	0	109.1	S533 A534 K535	S533-E542 VanDerWaalsContact CB-OE1 3.26Å; S533-E542 WeakPolarHBondContact CB-OE1 3.48Å; S533-E542 PolarHBondContact OG-OE1 3.49Å; S533-E542 VanDerWaalsContact OG-OE1 3.08Å; A534-E542 WeakPolarHBondContact O-CA 3.35Å; K535-E542 HydrophobicContact CB-CB 4.29Å; K535-E542 HydrophobicContact CB-CG 4.33Å; K535-E542 HydrophobicContact CG-CB 4.28Å
543	Q	89.3	Confident	81.5	Confident	92 Å²	92	58.1 Å²	58.1	43%	0.43	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140	165	-174.1	64.7	7.2	0	0	107.3	F503 L505 A534	F503-Q543 HydrophobicContact CD2-CB 4.09Å; F503-Q543 HydrophobicContact CD2-CG 3.68Å; F503-Q543 HydrophobicContact CE2-CB 4.32Å; F503-Q543 HydrophobicContact CE2-CG 4.36Å; F503-Q543 WeakPolarHBondContact CE2-O 3.49Å; L505-Q543 HydrophobicContact CB-CB 4.48Å; L505-Q543 HydrophobicContact CD1-CB 3.88Å; A534-Q543 PolarHBondContact N-O 3Å; A534-Q543 PolarHBondContact O-N 3.11Å
544	Q	87.5	Confident	80.9	Confident	128 Å²	128	59.8 Å²	59.8	60%	0.598	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.5	178.1	63.9	-178.4	-1.1	0	0	110.5	V532	V532-Q544 WeakPolarHBondContact O-CA 3.49Å
545	I	81.1	Confident	80.2	Confident	43 Å²	43	67.3 Å²	67.3	22%	0.221	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.7	166.3	-166.5	168.4	0	0	0	106.9	F503 V532 I547	F503-I545 HydrophobicContact CB-CB 4.35Å; F503-I545 HydrophobicContact CD1-CB 3.75Å; F503-I545 HydrophobicContact CD1-CG2 3.26Å; F503-I545 HydrophobicContact CE1-CB 4.25Å; F503-I545 HydrophobicContact CE1-CG2 3.4Å; F503-I545 HydrophobicContact CG-CB 4.14Å; F503-I545 HydrophobicContact CG-CG2 4.14Å; F503-I545 HydrophobicContact CZ-CG2 4.35Å; V532-I545 HydrophobicContact CB-CG2 3.99Å; V532-I545 PolarHBondContact N-O 2.8Å; V532-I545 PolarHBondContact O-N 2.99Å; I545-I547 HydrophobicContact CD1-CD1 4.15Å; I545-I547 HydrophobicContact CG1-CD1 4.23Å; I545-I547 HydrophobicContact CG2-CD1 3.58Å; I545-I547 HydrophobicContact CG2-CG1 4.25Å
546	V	77.8	Confident	79.7	Confident	55 Å²	55	68.8 Å²	68.8	33%	0.333	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.7	159.2	-174.8	0	0	0	0	104.7	I529 Q548	I529-V546 HydrophobicContact CG2-CG1 4.25Å; V546-Q548 HydrophobicContact CB-CG 4.12Å; V546-Q548 HydrophobicContact CG1-CG 3.64Å; V546-Q548 PolarHBondContact O-N 2.51Å
547	I	70.6	Confident	79.2	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.021	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	81.9	170.4	-54.3	-63.1	0	0	0	105.6	V486 L500 V530 V532 I545 S549	V486-I547 HydrophobicContact CB-CD1 4.15Å; V486-I547 HydrophobicContact CG1-CD1 4.31Å; V486-I547 HydrophobicContact CG1-CG1 4.36Å; V486-I547 HydrophobicContact CG2-CD1 4.17Å; L500-I547 HydrophobicContact CB-CG2 3.76Å; L500-I547 HydrophobicContact CD1-CG2 4.14Å; V530-I547 HydrophobicContact CB-CB 4.21Å; V530-I547 HydrophobicContact CB-CG1 4.47Å; V530-I547 WeakPolarHBondContact O-CA 3.3Å; V530-I547 VanDerWaalsContact O-CB 3.27Å; V530-I547 WeakPolarHBondContact O-CB 3.36Å; V530-I547 PolarHBondContact O-N 2.92Å; V532-I547 HydrophobicContact CG2-CG1 3.91Å; I545-I547 HydrophobicContact CD1-CD1 4.15Å; I545-I547 HydrophobicContact CG1-CD1 4.23Å; I545-I547 HydrophobicContact CG2-CD1 3.58Å; I545-I547 HydrophobicContact CG2-CG1 4.25Å; I547-S549 PolarHBondContact O-N 3.37Å
548	Q	62.1	Low	78.7	Confident	144 Å²	144	66.8 Å²	66.8	67%	0.673	37%	0.37	S	S	*	.			trans	-79.9	106.5	163	-62.5	-173.7	-15.4	0	0	104.4	V546 S550	V546-Q548 HydrophobicContact CB-CG 4.12Å; V546-Q548 HydrophobicContact CG1-CG 3.64Å; V546-Q548 PolarHBondContact O-N 2.51Å; Q548-S550 PolarHBondContact O-N 2.83Å; Q548-S550 VanDerWaalsContact O-N 3.14Å
549	S	59.5	Low	78.6	Confident	14 Å²	14	68.4 Å²	68.4	10%	0.098	36%	0.359	C	S	.	.			trans	-53.5	126.8	164.7	-94	0	0	0	0	108.6	D199 S200 Q203 I547 G551	D199-S549 VanDerWaalsContact C-CB 3.43Å; D199-S549 WeakPolarHBondContact CB-OG 3.46Å; D199-S549 VanDerWaalsContact O-CB 3.31Å; D199-S549 WeakPolarHBondContact O-CB 3.39Å; D199-S549 PolarHBondContact O-OG 3.05Å; D199-S549 WeakPolarHBondContact OD2-CB 3.23Å; D199-S549 PolarHBondContact OD2-N 3.3Å; D199-S549 PolarHBondContact OD2-OG 2.97Å; S200-S549 PolarHBondContact N-OG 2.71Å; S200-S549 VanDerWaalsContact N-OG 3.15Å; Q203-S549 VanDerWaalsContact CG-O 3.28Å; Q203-S549 WeakPolarHBondContact CG-O 3.22Å; I547-S549 PolarHBondContact O-N 3.37Å; S549-G551 PolarHBondContact O-N 2.93Å
550	S	60.5	Low	78.4	Confident	77 Å²	77	69.4 Å²	69.4	54%	0.538	36%	0.362	S	S	.	.			trans	-72.3	120.9	161.3	60.8	0	0	0	0	106.5	Q548 G552	Q548-S550 PolarHBondContact O-N 2.83Å; Q548-S550 VanDerWaalsContact O-N 3.14Å; S550-G552 PolarHBondContact O-N 3.12Å
551	G	60.1	Low	78.4	Confident	7 Å²	7	68.1 Å²	68.1	7%	0.072	35%	0.345	C	S	.	.			trans	-67.6	13.1	166.8	0	0	0	0	0	113.3	S549 L553	S549-G551 PolarHBondContact O-N 2.93Å; G551-L553 VanDerWaalsContact C-N 3.29Å
552	G	68.4	Low	78.1	Confident	14 Å²	14	63.6 Å²	63.6	14%	0.144	33%	0.331	C	S	.	.	S	Bend	trans	91.1	-24.6	-171.2	0	0	0	0	0	113.8	N149 D151 S550	N149-G552 PolarHBondContact ND2-O 2.91Å; D151-G552 WeakPolarHBondContact OD2-CA 3.36Å; S550-G552 PolarHBondContact O-N 3.12Å
553	L	77.5	Confident	77.8	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	34%	0.335	C	S	.	.			trans	-98.1	138.8	-174.7	-58.4	176.6	0	0	0	111.7	W153 D207 I211 G551 D557 I558 M561	W153-L553 HydrophobicContact CH2-CD2 4.4Å; W153-L553 HydrophobicContact CZ2-CD2 3.74Å; D207-L553 HydrophobicContact CB-CD1 4.5Å; I211-L553 HydrophobicContact CD1-CD1 3.96Å; G551-L553 VanDerWaalsContact C-N 3.29Å; L553-D557 HydrophobicContact CB-CB 4.28Å; L553-D557 HydrophobicContact CD2-CB 4.32Å; L553-I558 HydrophobicContact CB-CD1 4.26Å; L553-I558 HydrophobicContact CB-CG1 3.82Å; L553-I558 HydrophobicContact CD1-CG1 4.26Å; L553-M561 HydrophobicContact CD1-CE 4.31Å; L553-M561 HydrophobicContact CD1-SD 3.78Å; L553-M561 HydrophobicContact CD2-CE 3.72Å; L553-M561 HydrophobicContact CD2-SD 4.29Å
554	S	81	Confident	77.3	Confident	53 Å²	53	62.9 Å²	62.9	37%	0.371	33%	0.328	S	S	.	.			trans	-76	163.6	167.3	72	0	0	0	0	110.7	D556 D557 I558	S554-D556 PolarHBondContact O-N 2.97Å; S554-D557 WeakPolarHBondContact CB-OD2 3.4Å; S554-D557 PolarHBondContact N-OD2 2.86Å; S554-D557 WeakPolarHBondContact O-CB 3.36Å; S554-D557 PolarHBondContact O-N 3.03Å; S554-D557 PolarHBondContact OG-N 2.83Å; S554-D557 VanDerWaalsContact OG-N 3.11Å; S554-D557 PolarHBondContact OG-OD2 2.78Å; S554-I558 WeakPolarHBondContact O-CG1 3.37Å; S554-I558 PolarHBondContact O-N 2.83Å
555	K	80.8	Confident	76.7	Confident	158 Å²	158	57 Å²	57	69%	0.687	30%	0.301	S	S	*	.	H	α-helix	trans	-58.1	-40.6	174.2	-67.9	-176.4	-179.3	179.6	0	111.6	D557 I558 E559	K555-D557 VanDerWaalsContact C-N 3.35Å; K555-D557 PolarHBondContact O-N 3.41Å; K555-I558 PolarHBondContact O-N 3.2Å; K555-E559 WeakPolarHBondContact O-CG 3.39Å; K555-E559 PolarHBondContact O-N 3.11Å
556	D	84	Confident	76.6	Confident	110 Å²	110	61 Å²	61	59%	0.588	32%	0.319	S	S	*	.	H	α-helix	trans	-64.6	-39.5	177.7	-63.4	-7.4	0	0	0	111.4	S554 E559 N560	S554-D556 PolarHBondContact O-N 2.97Å; D556-E559 PolarHBondContact O-N 3.05Å; D556-N560 VanDerWaalsContact O-CB 3.3Å; D556-N560 WeakPolarHBondContact O-CB 3.41Å; D556-N560 PolarHBondContact O-N 2.86Å; D556-N560 PolarHBondContact O-ND2 2.87Å
557	D	84.5	Confident	76.7	Confident	62 Å²	62	64.1 Å²	64.1	33%	0.332	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-45.9	173.8	-63.7	-46.7	0	0	0	111	L553 S554 K555 N560 M561	L553-D557 HydrophobicContact CB-CB 4.28Å; L553-D557 HydrophobicContact CD2-CB 4.32Å; S554-D557 WeakPolarHBondContact CB-OD2 3.4Å; S554-D557 PolarHBondContact N-OD2 2.86Å; S554-D557 WeakPolarHBondContact O-CB 3.36Å; S554-D557 PolarHBondContact O-N 3.03Å; S554-D557 PolarHBondContact OG-N 2.83Å; S554-D557 VanDerWaalsContact OG-N 3.11Å; S554-D557 PolarHBondContact OG-OD2 2.78Å; K555-D557 VanDerWaalsContact C-N 3.35Å; K555-D557 PolarHBondContact O-N 3.41Å; D557-N560 PolarHBondContact O-N 3.29Å; D557-M561 WeakPolarHBondContact O-CB 3.05Å; D557-M561 WeakPolarHBondContact O-CG 3.49Å; D557-M561 PolarHBondContact O-N 3.38Å
558	I	81.9	Confident	77	Confident	16 Å²	16	66.2 Å²	66.2	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-48.7	178.7	-66.6	167.8	0	0	0	110.2	D207 Q210 I211 L553 S554 K555 N560 M561 I562	D207-I558 HydrophobicContact CB-CD1 4.28Å; Q210-I558 HydrophobicContact CB-CG2 4.49Å; I211-I558 HydrophobicContact CG1-CG2 4.44Å; L553-I558 HydrophobicContact CB-CD1 4.26Å; L553-I558 HydrophobicContact CB-CG1 3.82Å; L553-I558 HydrophobicContact CD1-CG1 4.26Å; S554-I558 WeakPolarHBondContact O-CG1 3.37Å; S554-I558 PolarHBondContact O-N 2.83Å; K555-I558 PolarHBondContact O-N 3.2Å; I558-N560 VanDerWaalsContact C-N 3.34Å; I558-N560 PolarHBondContact O-N 2.89Å; I558-M561 CarbonylContact O-C 3.57Å; I558-M561 PolarHBondContact O-N 2.62Å; I558-M561 VanDerWaalsContact O-N 3.15Å; I558-I562 HydrophobicContact CG2-CD1 3.78Å; I558-I562 HydrophobicContact CG2-CG1 4.34Å; I558-I562 VanDerWaalsContact O-CG1 3.28Å; I558-I562 WeakPolarHBondContact O-CG1 3.21Å; I558-I562 PolarHBondContact O-N 2.83Å
559	E	86.3	Confident	77.5	Confident	103 Å²	103	61.7 Å²	61.7	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-41.5	178.1	-73.7	-177.4	-166.3	0	0	112.3	K555 D556 M561 I562 K563	K555-E559 WeakPolarHBondContact O-CG 3.39Å; K555-E559 PolarHBondContact O-N 3.11Å; D556-E559 PolarHBondContact O-N 3.05Å; E559-M561 VanDerWaalsContact C-N 3.34Å; E559-I562 PolarHBondContact O-N 2.78Å; E559-K563 WeakPolarHBondContact O-CG 3.27Å; E559-K563 PolarHBondContact O-N 3.01Å
560	N	85.6	Confident	78.5	Confident	82 Å²	82	63.8 Å²	63.8	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-65.3	-38.7	174.8	-73.7	-33.9	0	0	0	111.7	D556 D557 I558 N564	D556-N560 VanDerWaalsContact O-CB 3.3Å; D556-N560 WeakPolarHBondContact O-CB 3.41Å; D556-N560 PolarHBondContact O-N 2.86Å; D556-N560 PolarHBondContact O-ND2 2.87Å; D557-N560 PolarHBondContact O-N 3.29Å; I558-N560 VanDerWaalsContact C-N 3.34Å; I558-N560 PolarHBondContact O-N 2.89Å; N560-N564 WeakPolarHBondContact O-CB 3.4Å; N560-N564 VanDerWaalsContact O-CG 3.28Å; N560-N564 PolarHBondContact O-N 2.93Å; N560-N564 PolarHBondContact O-ND2 3.06Å
561	M	86.6	Confident	79.3	Confident	15 Å²	15	64.7 Å²	64.7	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-38.9	175.5	-74.3	-178.8	-173.2	0	0	112	W153 Q165 I211 L553 D557 I558 E559 N564 A565	W153-M561 HydrophobicContact CH2-CE 4.06Å; Q165-M561 HydrophobicContact CB-SD 4.1Å; Q165-M561 HydrophobicContact CG-SD 4.37Å; I211-M561 HydrophobicContact CD1-CB 4.12Å; I211-M561 HydrophobicContact CD1-SD 3.7Å; I211-M561 HydrophobicContact CG1-CB 3.94Å; I211-M561 HydrophobicContact CG2-CB 4.03Å; L553-M561 HydrophobicContact CD1-CE 4.31Å; L553-M561 HydrophobicContact CD1-SD 3.78Å; L553-M561 HydrophobicContact CD2-CE 3.72Å; L553-M561 HydrophobicContact CD2-SD 4.29Å; D557-M561 WeakPolarHBondContact O-CB 3.05Å; D557-M561 WeakPolarHBondContact O-CG 3.49Å; D557-M561 PolarHBondContact O-N 3.38Å; I558-M561 CarbonylContact O-C 3.57Å; I558-M561 PolarHBondContact O-N 2.62Å; I558-M561 VanDerWaalsContact O-N 3.15Å; E559-M561 VanDerWaalsContact C-N 3.34Å; M561-N564 PolarHBondContact O-N 3.13Å; M561-A565 VanDerWaalsContact O-CB 3.28Å; M561-A565 WeakPolarHBondContact O-CB 3.44Å; M561-A565 PolarHBondContact O-N 2.83Å
562	I	83.2	Confident	79.9	Confident	46 Å²	46	67.1 Å²	67.1	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-52.2	173.1	-70.8	165.4	0	0	0	109.7	I558 E559 N564 A565 E566	I558-I562 HydrophobicContact CG2-CD1 3.78Å; I558-I562 HydrophobicContact CG2-CG1 4.34Å; I558-I562 VanDerWaalsContact O-CG1 3.28Å; I558-I562 WeakPolarHBondContact O-CG1 3.21Å; I558-I562 PolarHBondContact O-N 2.83Å; E559-I562 PolarHBondContact O-N 2.78Å; I562-N564 VanDerWaalsContact C-N 3.28Å; I562-N564 PolarHBondContact O-N 2.93Å; I562-A565 WeakPolarHBondContact O-CB 3.35Å; I562-A565 PolarHBondContact O-N 3.25Å; I562-E566 HydrophobicContact CG2-CG 4.47Å; I562-E566 WeakPolarHBondContact O-CG 3.3Å; I562-E566 PolarHBondContact O-N 3.33Å
563	K	85.3	Confident	80.4	Confident	123 Å²	123	72.2 Å²	72.2	54%	0.535	35%	0.35	S	S	.	.	H	α-helix	trans	-57.7	-41.6	177.8	-72.1	170.5	-175.5	164.9	0	112.1	E559 R567	E559-K563 WeakPolarHBondContact O-CG 3.27Å; E559-K563 PolarHBondContact O-N 3.01Å; K563-R567 PolarHBondContact O-N 2.99Å
564	N	79.2	Confident	80.6	Confident	52 Å²	52	78.9 Å²	78.9	28%	0.278	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-42.2	175.5	-76.8	-43.5	0	0	0	111.7	N560 M561 I562 R567 Y568	N560-N564 WeakPolarHBondContact O-CB 3.4Å; N560-N564 VanDerWaalsContact O-CG 3.28Å; N560-N564 PolarHBondContact O-N 2.93Å; N560-N564 PolarHBondContact O-ND2 3.06Å; M561-N564 PolarHBondContact O-N 3.13Å; I562-N564 VanDerWaalsContact C-N 3.28Å; I562-N564 PolarHBondContact O-N 2.93Å; N564-R567 PolarHBondContact O-N 2.79Å; N564-R567 PolarHBondContact OD1-NH2 3.49Å; N564-Y568 HydrophobicContact CB-CD2 4.42Å; N564-Y568 HydrophobicContact CB-CE2 3.98Å; N564-Y568 WeakPolarHBondContact O-CD2 3.45Å; N564-Y568 VanDerWaalsContact O-CG 3.23Å; N564-Y568 PolarHBondContact O-N 3.37Å
565	A	74.8	Confident	80.5	Confident	5 Å²	5	80.3 Å²	80.3	4%	0.041	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-42.7	177.6	0	0	0	0	0	111.6	M172 I211 M561 I562 Y568 A569	M172-A565 HydrophobicContact CE-CB 4.19Å; M172-A565 HydrophobicContact SD-CB 4.17Å; I211-A565 HydrophobicContact CG2-CB 4.26Å; I211-A565 WeakPolarHBondContact O-CB 3.35Å; M561-A565 VanDerWaalsContact O-CB 3.28Å; M561-A565 WeakPolarHBondContact O-CB 3.44Å; M561-A565 PolarHBondContact O-N 2.83Å; I562-A565 WeakPolarHBondContact O-CB 3.35Å; I562-A565 PolarHBondContact O-N 3.25Å; A565-Y568 PolarHBondContact O-N 2.96Å; A565-A569 WeakPolarHBondContact O-CB 3.21Å; A565-A569 PolarHBondContact O-N 3.41Å
566	E	79.1	Confident	80.3	Confident	127 Å²	127	77.5 Å²	77.5	59%	0.593	36%	0.359	S	S	*	.	H	α-helix	trans	-61.7	-44.9	173.5	-70.9	176.6	164.4	0	0	111.8	I562 Y568 A569 E570	I562-E566 HydrophobicContact CG2-CG 4.47Å; I562-E566 WeakPolarHBondContact O-CG 3.3Å; I562-E566 PolarHBondContact O-N 3.33Å; E566-Y568 PolarHBondContact O-N 3.45Å; E566-A569 PolarHBondContact O-N 3.37Å; E566-E570 PolarHBondContact O-N 3.28Å
567	R	79.9	Confident	80.1	Confident	120 Å²	120	76.3 Å²	76.3	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-46.1	175.1	-173	-176.4	65.6	-152.6	-14.6	111.5	K563 N564 E570 E571	K563-R567 PolarHBondContact O-N 2.99Å; N564-R567 PolarHBondContact O-N 2.79Å; N564-R567 PolarHBondContact OD1-NH2 3.49Å; R567-E570 PolarHBondContact O-N 3.21Å; R567-E571 IonicContact NE-OE1 3.51Å; R567-E571 WeakPolarHBondContact O-CG 3.24Å; R567-E571 PolarHBondContact O-N 2.92Å
568	Y	76.1	Confident	80	Confident	48 Å²	48	75.9 Å²	75.9	19%	0.188	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-37.8	178.6	-64.8	-45.1	0	0	0	112.2	N564 A565 E566 E570 E571 D572	N564-Y568 HydrophobicContact CB-CD2 4.42Å; N564-Y568 HydrophobicContact CB-CE2 3.98Å; N564-Y568 WeakPolarHBondContact O-CD2 3.45Å; N564-Y568 VanDerWaalsContact O-CG 3.23Å; N564-Y568 PolarHBondContact O-N 3.37Å; A565-Y568 PolarHBondContact O-N 2.96Å; E566-Y568 PolarHBondContact O-N 3.45Å; Y568-E570 VanDerWaalsContact C-N 3.3Å; Y568-E570 PolarHBondContact O-N 3.02Å; Y568-E571 WeakPolarHBondContact CD1-OE2 3.49Å; Y568-E571 PolarHBondContact O-N 2.97Å; Y568-D572 WeakPolarHBondContact O-CB 3.48Å; Y568-D572 PolarHBondContact O-N 3.36Å
569	A	73	Confident	79.9	Confident	48 Å²	48	78.5 Å²	78.5	40%	0.397	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-39.1	175.3	0	0	0	0	0	111.9	A565 E566 R573	A565-A569 WeakPolarHBondContact O-CB 3.21Å; A565-A569 PolarHBondContact O-N 3.41Å; E566-A569 PolarHBondContact O-N 3.37Å; A569-R573 WeakPolarHBondContact O-CB 3.39Å; A569-R573 PolarHBondContact O-N 3.5Å
570	E	80	Confident	79.6	Confident	58 Å²	58	78.2 Å²	78.2	27%	0.271	36%	0.359	S	S	.	.	H	α-helix	trans	-69.4	-39.6	174.9	177.2	60.3	-169.3	0	0	112.5	E566 R567 Y568 R573 R574	E566-E570 PolarHBondContact O-N 3.28Å; R567-E570 PolarHBondContact O-N 3.21Å; Y568-E570 VanDerWaalsContact C-N 3.3Å; Y568-E570 PolarHBondContact O-N 3.02Å; E570-R573 VanDerWaalsContact CD-NH2 3.26Å; E570-R573 PolarHBondContact O-N 3.09Å; E570-R573 IonicContact OE1-CZ 3.16Å; E570-R573 IonicContact OE1-NE 2.71Å; E570-R573 IonicContact OE1-NH2 2.8Å; E570-R573 PolarHBondContact OE1-NH2 3.36Å; E570-R573 IonicContact OE2-CZ 2.66Å; E570-R573 VanDerWaalsContact OE2-CZ 3.29Å; E570-R573 IonicContact OE2-NE 3.93Å; E570-R573 PolarHBondContact OE2-NE 2.85Å; E570-R573 IonicContact OE2-NH2 2.87Å; E570-R573 PolarHBondContact OE2-NH2 3.32Å; E570-R574 WeakPolarHBondContact O-CG 3.21Å; E570-R574 PolarHBondContact O-N 3.03Å; E570-R574 IonicContact OE1-CZ 2.89Å; E570-R574 IonicContact OE1-NE 3.74Å; E570-R574 PolarHBondContact OE1-NE 3.49Å; E570-R574 IonicContact OE1-NH2 3.74Å; E570-R574 PolarHBondContact OE1-NH2 3.11Å
571	E	77.9	Confident	79.6	Confident	97 Å²	97	74.6 Å²	74.6	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-46.3	173	-73.8	171.2	-168.9	0	0	111.4	R567 Y568 R573 R574 R575	R567-E571 IonicContact NE-OE1 3.51Å; R567-E571 WeakPolarHBondContact O-CG 3.24Å; R567-E571 PolarHBondContact O-N 2.92Å; Y568-E571 WeakPolarHBondContact CD1-OE2 3.49Å; Y568-E571 PolarHBondContact O-N 2.97Å; E571-R573 VanDerWaalsContact C-N 3.35Å; E571-R573 PolarHBondContact O-N 3.36Å; E571-R574 PolarHBondContact O-N 3.3Å; E571-R575 WeakPolarHBondContact O-CB 3.34Å; E571-R575 PolarHBondContact O-N 2.84Å
572	D	73.3	Confident	79.5	Confident	58 Å²	58	74.4 Å²	74.4	31%	0.31	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-42.4	176.7	-69.3	-19	0	0	0	110.9	R99 Y568 R575 K576	R99-D572 IonicContact CZ-OD2 3.21Å; R99-D572 IonicContact NE-OD2 3.34Å; R99-D572 IonicContact NH2-OD2 2.67Å; R99-D572 PolarHBondContact NH2-OD2 2.82Å; Y568-D572 WeakPolarHBondContact O-CB 3.48Å; Y568-D572 PolarHBondContact O-N 3.36Å; D572-R575 PolarHBondContact O-N 3.16Å; D572-K576 WeakPolarHBondContact O-CB 3.4Å; D572-K576 PolarHBondContact O-N 3.39Å
573	R	79.1	Confident	79.4	Confident	120 Å²	120	76.7 Å²	76.7	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-51.6	176.4	-175	-179	72.3	99.3	-5.1	111.9	A569 E570 E571 R575 K576 E577	A569-R573 WeakPolarHBondContact O-CB 3.39Å; A569-R573 PolarHBondContact O-N 3.5Å; E570-R573 VanDerWaalsContact CD-NH2 3.26Å; E570-R573 PolarHBondContact O-N 3.09Å; E570-R573 IonicContact OE1-CZ 3.16Å; E570-R573 IonicContact OE1-NE 2.71Å; E570-R573 IonicContact OE1-NH2 2.8Å; E570-R573 PolarHBondContact OE1-NH2 3.36Å; E570-R573 IonicContact OE2-CZ 2.66Å; E570-R573 VanDerWaalsContact OE2-CZ 3.29Å; E570-R573 IonicContact OE2-NE 3.93Å; E570-R573 PolarHBondContact OE2-NE 2.85Å; E570-R573 IonicContact OE2-NH2 2.87Å; E570-R573 PolarHBondContact OE2-NH2 3.32Å; E571-R573 VanDerWaalsContact C-N 3.35Å; E571-R573 PolarHBondContact O-N 3.36Å; R573-R575 PolarHBondContact O-N 3.42Å; R573-K576 WeakPolarHBondContact O-CB 3.31Å; R573-K576 PolarHBondContact O-N 2.97Å; R573-E577 IonicContact CZ-OE1 3.8Å; R573-E577 IonicContact NE-OE1 3.32Å; R573-E577 IonicContact NH1-OE1 3.14Å; R573-E577 PolarHBondContact NH1-OE1 2.76Å; R573-E577 IonicContact NH1-OE2 2.82Å; R573-E577 WeakPolarHBondContact O-CG 3.49Å; R573-E577 PolarHBondContact O-N 3.47Å
574	R	81.5	Confident	79.3	Confident	155 Å²	155	74.4 Å²	74.4	59%	0.585	35%	0.349	S	S	*	.	H	α-helix	trans	-59.5	-39.3	178.2	-72.5	175.8	-173.4	-166.8	0.3	111.7	E570 E571 R578	E570-R574 WeakPolarHBondContact O-CG 3.21Å; E570-R574 PolarHBondContact O-N 3.03Å; E570-R574 IonicContact OE1-CZ 2.89Å; E570-R574 IonicContact OE1-NE 3.74Å; E570-R574 PolarHBondContact OE1-NE 3.49Å; E570-R574 IonicContact OE1-NH2 3.74Å; E570-R574 PolarHBondContact OE1-NH2 3.11Å; E571-R574 PolarHBondContact O-N 3.3Å; R574-R578 WeakPolarHBondContact O-CB 3.39Å; R574-R578 PolarHBondContact O-N 3.47Å
575	R	78	Confident	79.7	Confident	83 Å²	83	71.9 Å²	71.9	31%	0.313	34%	0.335	S	S	.	.	H	α-helix	trans	-66.6	-43.6	177.3	-174.1	175.6	179	163.4	-5.4	111.7	E98 E571 D572 R573 R578 V579	E98-R575 IonicContact OE1-CZ 2.8Å; E98-R575 VanDerWaalsContact OE1-CZ 3.3Å; E98-R575 IonicContact OE1-NE 3.9Å; E98-R575 IonicContact OE1-NH1 3.46Å; E98-R575 IonicContact OE1-NH2 2.88Å; E98-R575 PolarHBondContact OE1-NH2 2.51Å; E98-R575 IonicContact OE2-CZ 3.59Å; E98-R575 IonicContact OE2-NH1 2.83Å; E98-R575 PolarHBondContact OE2-NH1 3.06Å; E98-R575 IonicContact OE2-NH2 2.69Å; E98-R575 PolarHBondContact OE2-NH2 3.24Å; E571-R575 WeakPolarHBondContact O-CB 3.34Å; E571-R575 PolarHBondContact O-N 2.84Å; D572-R575 PolarHBondContact O-N 3.16Å; R573-R575 PolarHBondContact O-N 3.42Å; R575-R578 WeakPolarHBondContact O-CB 3.09Å; R575-R578 PolarHBondContact O-N 3.15Å; R575-V579 WeakPolarHBondContact O-CG2 3.41Å; R575-V579 PolarHBondContact O-N 3.03Å
576	K	76.1	Confident	80.4	Confident	100 Å²	100	76 Å²	76	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-58.4	-50.4	174.7	-179.4	-180	176.8	179.6	0	111.1	D572 R573 R578 V579 E580	D572-K576 WeakPolarHBondContact O-CB 3.4Å; D572-K576 PolarHBondContact O-N 3.39Å; R573-K576 WeakPolarHBondContact O-CB 3.31Å; R573-K576 PolarHBondContact O-N 2.97Å; K576-R578 PolarHBondContact O-N 2.81Å; K576-V579 PolarHBondContact O-N 3.46Å; K576-V579 VanDerWaalsContact O-N 3.12Å; K576-E580 WeakPolarHBondContact CE-OE1 3.46Å; K576-E580 WeakPolarHBondContact O-CG 3.02Å; K576-E580 PolarHBondContact O-N 2.87Å
577	E	80.3	Confident	80.7	Confident	84 Å²	84	71.5 Å²	71.5	39%	0.393	34%	0.341	S	S	.	.	H	α-helix	trans	-55.8	-39.1	176.8	-72.7	170.6	-175.7	0	0	111.7	R573 A581	R573-E577 IonicContact CZ-OE1 3.8Å; R573-E577 IonicContact NE-OE1 3.32Å; R573-E577 IonicContact NH1-OE1 3.14Å; R573-E577 PolarHBondContact NH1-OE1 2.76Å; R573-E577 IonicContact NH1-OE2 2.82Å; R573-E577 WeakPolarHBondContact O-CG 3.49Å; R573-E577 PolarHBondContact O-N 3.47Å; E577-A581 WeakPolarHBondContact O-CB 3.28Å; E577-A581 PolarHBondContact O-N 2.95Å
578	R	82.9	Confident	81.1	Confident	54 Å²	54	66.6 Å²	66.6	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-46.2	175.6	-173.3	176.9	71.2	169.1	4.7	113	R574 R575 K576 E580 A581 V582 K625 D626 E628 I633	R574-R578 WeakPolarHBondContact O-CB 3.39Å; R574-R578 PolarHBondContact O-N 3.47Å; R575-R578 WeakPolarHBondContact O-CB 3.09Å; R575-R578 PolarHBondContact O-N 3.15Å; K576-R578 PolarHBondContact O-N 2.81Å; R578-E580 VanDerWaalsContact C-N 3.32Å; R578-E580 PolarHBondContact O-N 3.28Å; R578-A581 PolarHBondContact O-N 3.01Å; R578-V582 WeakPolarHBondContact O-CG2 3.44Å; R578-V582 PolarHBondContact O-N 3.14Å; R578-K625 VanDerWaalsContact CD-O 3.27Å; R578-K625 WeakPolarHBondContact CD-O 3.1Å; R578-K625 PolarHBondContact NH1-O 3.19Å; R578-D626 PolarHBondContact NH1-O 3.03Å; R578-E628 VanDerWaalsContact CD-O 3.24Å; R578-E628 WeakPolarHBondContact CD-O 3.18Å; R578-I633 HydrophobicContact CG-CD1 4.32Å
579	V	80.4	Confident	81.8	Confident	70 Å²	70	64.8 Å²	64.8	42%	0.424	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-41	178	171.9	0	0	0	0	110.8	R575 K576 V582 N583	R575-V579 WeakPolarHBondContact O-CG2 3.41Å; R575-V579 PolarHBondContact O-N 3.03Å; K576-V579 PolarHBondContact O-N 3.46Å; K576-V579 VanDerWaalsContact O-N 3.12Å; V579-V582 PolarHBondContact O-N 3.44Å; V579-N583 VanDerWaalsContact O-CG 3.27Å; V579-N583 PolarHBondContact O-N 3.32Å; V579-N583 PolarHBondContact O-ND2 3.14Å
580	E	80.3	Confident	82.6	Confident	98 Å²	98	68.4 Å²	68.4	46%	0.458	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-41.7	174.5	-72.4	175.6	-179.4	0	0	112	K576 R578 N583 T584	K576-E580 WeakPolarHBondContact CE-OE1 3.46Å; K576-E580 WeakPolarHBondContact O-CG 3.02Å; K576-E580 PolarHBondContact O-N 2.87Å; R578-E580 VanDerWaalsContact C-N 3.32Å; R578-E580 PolarHBondContact O-N 3.28Å; E580-N583 PolarHBondContact O-N 2.81Å; E580-T584 WeakPolarHBondContact O-CB 3.21Å; E580-T584 PolarHBondContact O-N 2.8Å; E580-T584 PolarHBondContact O-OG1 3.42Å
581	A	85.9	Confident	83	Confident	5 Å²	5	70 Å²	70	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-42.3	175.1	0	0	0	0	0	112.1	E577 R578 T584 A585 G630 I633 K634	E577-A581 WeakPolarHBondContact O-CB 3.28Å; E577-A581 PolarHBondContact O-N 2.95Å; R578-A581 PolarHBondContact O-N 3.01Å; A581-T584 PolarHBondContact O-N 3.4Å; A581-A585 VanDerWaalsContact O-CB 3.28Å; A581-A585 WeakPolarHBondContact O-CB 3.29Å; A581-A585 PolarHBondContact O-N 2.99Å; A581-G630 VanDerWaalsContact CB-O 3.28Å; A581-G630 WeakPolarHBondContact CB-O 3.2Å; A581-I633 HydrophobicContact CB-CB 4.14Å; A581-I633 HydrophobicContact CB-CG2 4.01Å; A581-K634 HydrophobicContact CB-CB 4.19Å
582	V	82.9	Confident	83.6	Confident	12 Å²	12	65.6 Å²	65.6	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-51.9	174.9	165.7	0	0	0	0	110.8	R578 V579 T584 A585 E586 L622 K625 I633	R578-V582 WeakPolarHBondContact O-CG2 3.44Å; R578-V582 PolarHBondContact O-N 3.14Å; V579-V582 PolarHBondContact O-N 3.44Å; V582-T584 VanDerWaalsContact C-N 3.29Å; V582-T584 PolarHBondContact O-N 3.15Å; V582-A585 PolarHBondContact O-N 3.3Å; V582-A585 VanDerWaalsContact O-N 3.16Å; V582-E586 HydrophobicContact CG1-CG 4.43Å; V582-E586 WeakPolarHBondContact O-CG 3.48Å; V582-E586 PolarHBondContact O-N 3.03Å; V582-L622 HydrophobicContact CB-CD2 4.15Å; V582-L622 HydrophobicContact CG1-CD2 4Å; V582-L622 HydrophobicContact CG2-CD2 3.9Å; V582-K625 HydrophobicContact CG1-CD 4.35Å; V582-K625 HydrophobicContact CG2-CB 3.94Å; V582-K625 HydrophobicContact CG2-CD 4.44Å; V582-I633 HydrophobicContact CG2-CD1 3.82Å
583	N	82.3	Confident	84.5	Confident	94 Å²	94	66.9 Å²	66.9	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-39.7	-180	-68.4	-17.6	0	0	0	111.9	V579 E580 G587	V579-N583 VanDerWaalsContact O-CG 3.27Å; V579-N583 PolarHBondContact O-N 3.32Å; V579-N583 PolarHBondContact O-ND2 3.14Å; E580-N583 PolarHBondContact O-N 2.81Å; N583-G587 PolarHBondContact O-N 2.95Å
584	T	83.1	Confident	85	Confident	74 Å²	74	64.4 Å²	64.4	45%	0.454	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-43.9	176.4	-57	0	0	0	0	111	E580 A581 V582 G587 I588	E580-T584 WeakPolarHBondContact O-CB 3.21Å; E580-T584 PolarHBondContact O-N 2.8Å; E580-T584 PolarHBondContact O-OG1 3.42Å; A581-T584 PolarHBondContact O-N 3.4Å; V582-T584 VanDerWaalsContact C-N 3.29Å; V582-T584 PolarHBondContact O-N 3.15Å; T584-G587 PolarHBondContact O-N 3.36Å; T584-I588 HydrophobicContact CG2-CD1 3.82Å; T584-I588 VanDerWaalsContact O-CG1 3.3Å; T584-I588 WeakPolarHBondContact O-CG1 3.38Å; T584-I588 PolarHBondContact O-N 2.89Å
585	A	87.9	Confident	85.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-45.3	178	0	0	0	0	0	112.2	A581 V582 G587 I588 I589 V618 L622 I633 A637	A581-A585 VanDerWaalsContact O-CB 3.28Å; A581-A585 WeakPolarHBondContact O-CB 3.29Å; A581-A585 PolarHBondContact O-N 2.99Å; V582-A585 PolarHBondContact O-N 3.3Å; V582-A585 VanDerWaalsContact O-N 3.16Å; A585-G587 VanDerWaalsContact C-N 3.33Å; A585-G587 PolarHBondContact O-N 2.99Å; A585-I588 PolarHBondContact O-N 3.24Å; A585-I589 WeakPolarHBondContact O-CG1 3.29Å; A585-I589 PolarHBondContact O-N 2.64Å; A585-V618 HydrophobicContact CB-CG1 3.88Å; A585-L622 HydrophobicContact CB-CD1 4.25Å; A585-L622 HydrophobicContact CB-CD2 4.12Å; A585-I633 HydrophobicContact CB-CG2 3.9Å; A585-A637 HydrophobicContact CB-CB 3.78Å
586	E	88.1	Confident	85.8	Confident	90 Å²	90	58.1 Å²	58.1	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-42.8	175.2	-72.9	178.6	173.7	0	0	111.4	V582 I589 H590 L622	V582-E586 HydrophobicContact CG1-CG 4.43Å; V582-E586 WeakPolarHBondContact O-CG 3.48Å; V582-E586 PolarHBondContact O-N 3.03Å; E586-I589 PolarHBondContact O-N 3.11Å; E586-H590 WeakPolarHBondContact O-CB 3.32Å; E586-H590 PolarHBondContact O-N 3.49Å; E586-L622 HydrophobicContact CG-CD1 3.77Å
587	G	85.7	Confident	86.3	Confident	33 Å²	33	59.2 Å²	59.2	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-45.5	174.5	0	0	0	0	0	113	N583 T584 A585 H590 D591	N583-G587 PolarHBondContact O-N 2.95Å; T584-G587 PolarHBondContact O-N 3.36Å; A585-G587 VanDerWaalsContact C-N 3.33Å; A585-G587 PolarHBondContact O-N 2.99Å; G587-H590 PolarHBondContact O-N 3.18Å; G587-D591 WeakPolarHBondContact O-CB 3.46Å; G587-D591 PolarHBondContact O-N 3.49Å
588	I	89.2	Confident	86.6	Confident	17 Å²	17	61.5 Å²	61.5	9%	0.087	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-41.6	177.8	-71.2	163.6	0	0	0	111.3	T584 A585 T592 A637 L640 Q641	T584-I588 HydrophobicContact CG2-CD1 3.82Å; T584-I588 VanDerWaalsContact O-CG1 3.3Å; T584-I588 WeakPolarHBondContact O-CG1 3.38Å; T584-I588 PolarHBondContact O-N 2.89Å; A585-I588 PolarHBondContact O-N 3.24Å; I588-T592 VanDerWaalsContact O-CB 3.22Å; I588-T592 WeakPolarHBondContact O-CB 3.34Å; I588-T592 PolarHBondContact O-N 2.99Å; I588-T592 PolarHBondContact O-OG1 2.81Å; I588-A637 HydrophobicContact CD1-CB 3.97Å; I588-L640 HydrophobicContact CG2-CB 4.39Å; I588-L640 HydrophobicContact CG2-CD2 3.89Å; I588-L640 HydrophobicContact CG2-CG 3.92Å; I588-Q641 HydrophobicContact CD1-CB 4.2Å; I588-Q641 HydrophobicContact CG2-CB 4.09Å
589	I	90.8	Very high	86.7	Confident	11 Å²	11	60 Å²	60	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-57.8	-53	174.8	-73.1	163.3	0	0	0	109.4	A585 E586 D591 T592 E593 I615 V618 Q619 L622 L640	A585-I589 WeakPolarHBondContact O-CG1 3.29Å; A585-I589 PolarHBondContact O-N 2.64Å; E586-I589 PolarHBondContact O-N 3.11Å; I589-D591 PolarHBondContact O-N 2.97Å; I589-T592 PolarHBondContact O-N 2.87Å; I589-E593 HydrophobicContact CG2-CG 4.25Å; I589-E593 WeakPolarHBondContact O-CB 3.29Å; I589-E593 WeakPolarHBondContact O-CG 3.45Å; I589-E593 PolarHBondContact O-N 3.35Å; I589-I615 HydrophobicContact CG1-CG2 4.5Å; I589-I615 HydrophobicContact CG2-CG2 3.96Å; I589-V618 HydrophobicContact CD1-CB 4Å; I589-V618 HydrophobicContact CD1-CG1 3.62Å; I589-V618 HydrophobicContact CG1-CB 4.33Å; I589-V618 HydrophobicContact CG1-CG1 4.12Å; I589-Q619 HydrophobicContact CD1-CG 3.89Å; I589-L622 HydrophobicContact CD1-CD1 3.64Å; I589-L640 HydrophobicContact CG1-CD2 3.8Å
590	H	90.1	Very high	86.9	Confident	124 Å²	124	62.1 Å²	62.1	57%	0.574	32%	0.317	S	S	*	.	H	α-helix	trans	-60.2	-47.4	-177.3	-175.1	62.6	0	0	0	112.6	E586 G587 T592 E593 S594	E586-H590 WeakPolarHBondContact O-CB 3.32Å; E586-H590 PolarHBondContact O-N 3.49Å; G587-H590 PolarHBondContact O-N 3.18Å; H590-T592 VanDerWaalsContact C-N 3.3Å; H590-T592 PolarHBondContact O-N 3.02Å; H590-E593 PolarHBondContact O-N 2.94Å; H590-S594 WeakPolarHBondContact O-CB 3.27Å; H590-S594 PolarHBondContact O-N 3.37Å
591	D	88.4	Confident	87	Confident	92 Å²	92	64.3 Å²	64.3	49%	0.492	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-40	177.6	-80.5	-4.3	0	0	0	111.9	G587 I589 K595	G587-D591 WeakPolarHBondContact O-CB 3.46Å; G587-D591 PolarHBondContact O-N 3.49Å; I589-D591 PolarHBondContact O-N 2.97Å; D591-K595 WeakPolarHBondContact O-CB 3.35Å; D591-K595 VanDerWaalsContact O-CG 3.31Å; D591-K595 WeakPolarHBondContact O-CG 3.47Å; D591-K595 PolarHBondContact O-N 3.33Å; D591-K595 VanDerWaalsContact O-N 3.1Å
592	T	90.5	Very high	86.8	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-68.3	-48.9	179.4	-56.8	0	0	0	0	110.5	I588 I589 H590 S594 K595 M596 L611 I615 L640	I588-T592 VanDerWaalsContact O-CB 3.22Å; I588-T592 WeakPolarHBondContact O-CB 3.34Å; I588-T592 PolarHBondContact O-N 2.99Å; I588-T592 PolarHBondContact O-OG1 2.81Å; I589-T592 PolarHBondContact O-N 2.87Å; H590-T592 VanDerWaalsContact C-N 3.3Å; H590-T592 PolarHBondContact O-N 3.02Å; T592-S594 PolarHBondContact O-N 3.18Å; T592-K595 PolarHBondContact O-N 2.82Å; T592-M596 HydrophobicContact CG2-CG 4.35Å; T592-M596 HydrophobicContact CG2-SD 4.11Å; T592-M596 WeakPolarHBondContact O-CB 3.38Å; T592-M596 WeakPolarHBondContact O-CG 3.32Å; T592-M596 PolarHBondContact O-N 2.79Å; T592-L611 HydrophobicContact CG2-CD1 4.4Å; T592-L611 HydrophobicContact CG2-CD2 3.63Å; T592-L611 HydrophobicContact CG2-CG 3.98Å; T592-I615 HydrophobicContact CG2-CD1 4.06Å; T592-L640 HydrophobicContact CG2-CD1 4.31Å
593	E	90.8	Very high	86.8	Confident	85 Å²	85	66.3 Å²	66.3	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-45.6	177.1	-73.5	-179.6	155.7	0	0	111.8	I589 H590 K595 M596 E597 I615 Q619	I589-E593 HydrophobicContact CG2-CG 4.25Å; I589-E593 WeakPolarHBondContact O-CB 3.29Å; I589-E593 WeakPolarHBondContact O-CG 3.45Å; I589-E593 PolarHBondContact O-N 3.35Å; H590-E593 PolarHBondContact O-N 2.94Å; E593-K595 PolarHBondContact O-N 2.89Å; E593-M596 PolarHBondContact O-N 3.12Å; E593-E597 PolarHBondContact O-N 3.07Å; E593-E597 VanDerWaalsContact O-N 3.12Å; E593-I615 HydrophobicContact CG-CD1 3.88Å; E593-Q619 PolarHBondContact OE1-NE2 3.19Å
594	S	90.6	Very high	87	Confident	67 Å²	67	64 Å²	64	47%	0.469	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-47.1	179.1	-173.6	0	0	0	0	111.9	H590 T592 M596 E597 E598	H590-S594 WeakPolarHBondContact O-CB 3.27Å; H590-S594 PolarHBondContact O-N 3.37Å; T592-S594 PolarHBondContact O-N 3.18Å; S594-M596 VanDerWaalsContact C-N 3.35Å; S594-E597 PolarHBondContact O-N 3.39Å; S594-E598 PolarHBondContact O-N 3.44Å
595	K	87.5	Confident	87	Confident	91 Å²	91	64.1 Å²	64.1	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-69.6	-33.1	179.1	-72.3	174.9	-178.2	170.8	0	112.2	D591 T592 E593 E597 E598 F599 F648	D591-K595 WeakPolarHBondContact O-CB 3.35Å; D591-K595 VanDerWaalsContact O-CG 3.31Å; D591-K595 WeakPolarHBondContact O-CG 3.47Å; D591-K595 PolarHBondContact O-N 3.33Å; D591-K595 VanDerWaalsContact O-N 3.1Å; T592-K595 PolarHBondContact O-N 2.82Å; E593-K595 PolarHBondContact O-N 2.89Å; K595-E597 VanDerWaalsContact C-N 3.27Å; K595-E597 PolarHBondContact O-N 2.93Å; K595-E598 PolarHBondContact O-N 2.92Å; K595-F599 HydrophobicContact CB-CD2 4.4Å; K595-F599 VanDerWaalsContact O-CD2 3.27Å; K595-F599 WeakPolarHBondContact O-CD2 3.35Å; K595-F599 PolarHBondContact O-N 3.35Å; K595-F648 HydrophobicContact CB-CD1 4.3Å; K595-F648 HydrophobicContact CB-CD2 4.47Å; K595-F648 HydrophobicContact CB-CE1 3.53Å; K595-F648 HydrophobicContact CB-CE2 3.73Å; K595-F648 HydrophobicContact CB-CZ 3.21Å; K595-F648 HydrophobicContact CD-CD2 4.22Å; K595-F648 HydrophobicContact CD-CE2 3.96Å; K595-F648 HydrophobicContact CD-CZ 4.32Å; K595-F648 HydrophobicContact CG-CZ 4.4Å
596	M	87.8	Confident	86.8	Confident	15 Å²	15	68.8 Å²	68.8	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-35.4	174.2	-76.5	-176.9	75.5	0	0	112.1	T592 E593 S594 K600 C608 L611 K612 I615 F648	T592-M596 HydrophobicContact CG2-CG 4.35Å; T592-M596 HydrophobicContact CG2-SD 4.11Å; T592-M596 WeakPolarHBondContact O-CB 3.38Å; T592-M596 WeakPolarHBondContact O-CG 3.32Å; T592-M596 PolarHBondContact O-N 2.79Å; E593-M596 PolarHBondContact O-N 3.12Å; S594-M596 VanDerWaalsContact C-N 3.35Å; M596-K600 WeakPolarHBondContact O-CA 3.27Å; M596-K600 PolarHBondContact O-N 3.09Å; M596-C608 HydrophobicContact CE-CB 3.87Å; M596-C608 WeakPolarHBondContact CE-O 3.28Å; M596-L611 HydrophobicContact CE-CB 4.23Å; M596-L611 HydrophobicContact CE-CD2 4.36Å; M596-L611 HydrophobicContact CG-CD2 4.06Å; M596-L611 HydrophobicContact SD-CB 4.21Å; M596-L611 HydrophobicContact SD-CD2 3.62Å; M596-L611 HydrophobicContact SD-CG 3.94Å; M596-K612 HydrophobicContact CE-CG 3.97Å; M596-I615 HydrophobicContact SD-CD1 3.94Å; M596-F648 HydrophobicContact CG-CE1 4.33Å; M596-F648 HydrophobicContact CG-CZ 3.93Å
597	E	87.5	Confident	86.6	Confident	123 Å²	123	67.4 Å²	67.4	58%	0.575	36%	0.357	S	S	*	.	H	α-helix	trans	-75.8	-37.4	174.7	-166.7	62.8	-159.4	0	0	112	E593 S594 K595 K600	E593-E597 PolarHBondContact O-N 3.07Å; E593-E597 VanDerWaalsContact O-N 3.12Å; S594-E597 PolarHBondContact O-N 3.39Å; K595-E597 VanDerWaalsContact C-N 3.27Å; K595-E597 PolarHBondContact O-N 2.93Å; E597-K600 WeakPolarHBondContact O-CB 3.49Å; E597-K600 IonicContact OE1-NZ 3.58Å; E597-K600 PolarHBondContact OE1-NZ 2.93Å; E597-K600 IonicContact OE2-NZ 2.63Å; E597-K600 PolarHBondContact OE2-NZ 3.39Å
598	E	86.6	Confident	86.5	Confident	132 Å²	132	66.8 Å²	66.8	62%	0.617	35%	0.347	S	S	*	.	H	α-helix	trans	-61.8	-43.5	176.7	-174	-177.9	173.7	0	0	112.7	S594 K595	S594-E598 PolarHBondContact O-N 3.44Å; K595-E598 PolarHBondContact O-N 2.92Å
599	F	84.9	Confident	86.5	Confident	22 Å²	22	69.8 Å²	69.8	10%	0.096	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	16.8	-176.3	-64.4	-72.4	0	0	0	113.7	K595 D601 Q602 L603 F648 Y652 M655	K595-F599 HydrophobicContact CB-CD2 4.4Å; K595-F599 VanDerWaalsContact O-CD2 3.27Å; K595-F599 WeakPolarHBondContact O-CD2 3.35Å; K595-F599 PolarHBondContact O-N 3.35Å; F599-D601 PolarHBondContact O-N 3.33Å; F599-D601 VanDerWaalsContact O-N 3.08Å; F599-Q602 VanDerWaalsContact C-OE1 3.31Å; F599-Q602 PolarHBondContact O-N 2.9Å; F599-Q602 PolarHBondContact O-OE1 3.05Å; F599-L603 HydrophobicContact CB-CD1 3.82Å; F599-L603 HydrophobicContact CB-CG 3.94Å; F599-L603 WeakPolarHBondContact O-CG 3.11Å; F599-L603 PolarHBondContact O-N 3.2Å; F599-L603 VanDerWaalsContact O-N 3.17Å; F599-F648 HydrophobicContact CD2-CD1 4.14Å; F599-F648 HydrophobicContact CD2-CE1 4.29Å; F599-Y652 HydrophobicContact CZ-CE2 4.27Å; F599-M655 HydrophobicContact CD1-CE 3.53Å; F599-M655 HydrophobicContact CD1-SD 4.16Å; F599-M655 HydrophobicContact CE1-CE 3.76Å; F599-M655 HydrophobicContact CE1-SD 3.96Å
600	K	83.6	Confident	86.4	Confident	116 Å²	116	74.1 Å²	74.1	50%	0.504	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-37.6	-170.7	-174.3	-179.2	-167.9	160.5	0	114.3	M596 E597	M596-K600 WeakPolarHBondContact O-CA 3.27Å; M596-K600 PolarHBondContact O-N 3.09Å; E597-K600 WeakPolarHBondContact O-CB 3.49Å; E597-K600 IonicContact OE1-NZ 3.58Å; E597-K600 PolarHBondContact OE1-NZ 2.93Å; E597-K600 IonicContact OE2-NZ 2.63Å; E597-K600 PolarHBondContact OE2-NZ 3.39Å
601	D	82.6	Confident	86.3	Confident	143 Å²	143	68.5 Å²	68.5	77%	0.765	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.8	-177.9	-63.7	-32	0	0	0	113.3	F599	F599-D601 PolarHBondContact O-N 3.33Å; F599-D601 VanDerWaalsContact O-N 3.08Å
602	Q	82.6	Confident	86.4	Confident	44 Å²	44	70.2 Å²	70.2	21%	0.206	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-8.3	-176.6	-58.2	84.8	16.4	0	0	113.1	F599 M655	F599-Q602 VanDerWaalsContact C-OE1 3.31Å; F599-Q602 PolarHBondContact O-N 2.9Å; F599-Q602 PolarHBondContact O-OE1 3.05Å; Q602-M655 HydrophobicContact CB-CE 4.12Å; Q602-M655 HydrophobicContact CG-CE 3.44Å; Q602-M655 VanDerWaalsContact CG-CE 3.44Å; Q602-M655 HydrophobicContact CG-CG 4.17Å
603	L	83.2	Confident	86.5	Confident	15 Å²	15	75.2 Å²	75.2	8%	0.079	39%	0.385	C	S	.	.	S	Bend	trans	-92.4	139.5	-176.9	-70.4	170.3	0	0	0	113	F599 A605 C608 L647 F648 A651	F599-L603 HydrophobicContact CB-CD1 3.82Å; F599-L603 HydrophobicContact CB-CG 3.94Å; F599-L603 WeakPolarHBondContact O-CG 3.11Å; F599-L603 PolarHBondContact O-N 3.2Å; F599-L603 VanDerWaalsContact O-N 3.17Å; L603-A605 PolarHBondContact O-N 2.76Å; L603-C608 WeakPolarHBondContact CB-SG 3.31Å; L603-L647 HydrophobicContact CD2-CD1 3.66Å; L603-L647 HydrophobicContact CD2-CD2 4.02Å; L603-L647 HydrophobicContact CD2-CG 3.53Å; L603-F648 HydrophobicContact CD1-CE1 4.15Å; L603-F648 HydrophobicContact CD2-CD1 4.39Å; L603-A651 HydrophobicContact CD2-CB 3.76Å; L603-A651 HydrophobicContact CG-CB 4.46Å
604	P	85.1	Confident	86.5	Confident	45 Å²	45	73.7 Å²	73.7	29%	0.292	38%	0.378	S	S	.	.			trans	-63.3	131.7	170.5	-18.5	31.1	0	0	0	111.6	D606 E607 C608	P604-D606 VanDerWaalsContact C-N 3.31Å; P604-D606 WeakPolarHBondContact CB-OD1 3.26Å; P604-D606 PolarHBondContact O-N 2.92Å; P604-E607 HydrophobicContact CB-CB 4.23Å; P604-E607 HydrophobicContact CB-CG 4.24Å; P604-E607 HydrophobicContact CG-CG 4.5Å; P604-E607 PolarHBondContact O-N 2.67Å; P604-C608 PolarHBondContact O-N 3.29Å; P604-C608 PolarHBondContact O-SG 3.03Å
605	A	83.1	Confident	86.5	Confident	78 Å²	78	70.8 Å²	70.8	65%	0.645	36%	0.357	S	S	*	.	H	α-helix	trans	-65.6	-33.2	-176.2	0	0	0	0	0	113.3	L603 T609	L603-A605 PolarHBondContact O-N 2.76Å; A605-T609 PolarHBondContact O-N 2.96Å; A605-T609 VanDerWaalsContact O-N 3.11Å; A605-T609 PolarHBondContact O-OG1 3.26Å
606	D	84	Confident	86.8	Confident	97 Å²	97	69.6 Å²	69.6	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-67.6	-44.6	176.4	59	-36.5	0	0	0	112	P604 T609 K610	P604-D606 VanDerWaalsContact C-N 3.31Å; P604-D606 WeakPolarHBondContact CB-OD1 3.26Å; P604-D606 PolarHBondContact O-N 2.92Å; D606-T609 PolarHBondContact O-N 2.87Å; D606-K610 PolarHBondContact O-N 2.81Å
607	E	84.5	Confident	86.9	Confident	62 Å²	62	73.8 Å²	73.8	29%	0.29	38%	0.375	S	S	.	.	H	α-helix	trans	-70.4	-34.3	175.5	-66.3	-61.9	142.4	0	0	112.4	P604 T609 K610 L611 L647	P604-E607 HydrophobicContact CB-CB 4.23Å; P604-E607 HydrophobicContact CB-CG 4.24Å; P604-E607 HydrophobicContact CG-CG 4.5Å; P604-E607 PolarHBondContact O-N 2.67Å; E607-T609 VanDerWaalsContact C-N 3.26Å; E607-T609 PolarHBondContact O-N 3.04Å; E607-K610 PolarHBondContact O-N 2.97Å; E607-K610 IonicContact OE1-NZ 2.68Å; E607-K610 PolarHBondContact OE1-NZ 3.38Å; E607-K610 IonicContact OE2-NZ 3.78Å; E607-L611 PolarHBondContact O-N 2.92Å; E607-L647 HydrophobicContact CB-CD1 3.53Å; E607-L647 HydrophobicContact CG-CD1 4.39Å
608	C	84.3	Confident	87	Confident	20 Å²	20	68 Å²	68	14%	0.135	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-35.9	171.2	-72.8	0	0	0	0	112.5	M596 L603 P604 K612	M596-C608 HydrophobicContact CE-CB 3.87Å; M596-C608 WeakPolarHBondContact CE-O 3.28Å; L603-C608 WeakPolarHBondContact CB-SG 3.31Å; P604-C608 PolarHBondContact O-N 3.29Å; P604-C608 PolarHBondContact O-SG 3.03Å; C608-K612 WeakPolarHBondContact O-CG 3.23Å; C608-K612 PolarHBondContact O-N 2.92Å
609	T	88.1	Confident	87.2	Confident	79 Å²	79	65.4 Å²	65.4	49%	0.485	34%	0.336	S	S	.	.	H	α-helix	trans	-68.1	-45.5	178.7	-56	0	0	0	0	110.5	A605 D606 E607 L611 K612 E613	A605-T609 PolarHBondContact O-N 2.96Å; A605-T609 VanDerWaalsContact O-N 3.11Å; A605-T609 PolarHBondContact O-OG1 3.26Å; D606-T609 PolarHBondContact O-N 2.87Å; E607-T609 VanDerWaalsContact C-N 3.26Å; E607-T609 PolarHBondContact O-N 3.04Å; T609-L611 VanDerWaalsContact C-N 3.32Å; T609-L611 PolarHBondContact O-N 3.07Å; T609-K612 PolarHBondContact O-N 3.01Å; T609-E613 WeakPolarHBondContact O-CG 3.37Å; T609-E613 PolarHBondContact O-N 3.03Å
610	K	87.9	Confident	87.5	Confident	103 Å²	103	69 Å²	69	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-59.8	-40.7	175.2	-65.5	174.2	-168.4	165.5	0	112.4	D606 E607 E613 E614	D606-K610 PolarHBondContact O-N 2.81Å; E607-K610 PolarHBondContact O-N 2.97Å; E607-K610 IonicContact OE1-NZ 2.68Å; E607-K610 PolarHBondContact OE1-NZ 3.38Å; E607-K610 IonicContact OE2-NZ 3.78Å; K610-E613 WeakPolarHBondContact O-CB 3.49Å; K610-E613 PolarHBondContact O-N 2.94Å; K610-E614 PolarHBondContact O-N 3.04Å; K610-E614 VanDerWaalsContact O-N 3.13Å
611	L	89	Confident	87.7	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-69.8	-35.9	179.8	-165.4	61.7	0	0	0	112.1	T592 M596 E607 T609 E613 E614 I615 L640 A643 L647	T592-L611 HydrophobicContact CG2-CD1 4.4Å; T592-L611 HydrophobicContact CG2-CD2 3.63Å; T592-L611 HydrophobicContact CG2-CG 3.98Å; M596-L611 HydrophobicContact CE-CB 4.23Å; M596-L611 HydrophobicContact CE-CD2 4.36Å; M596-L611 HydrophobicContact CG-CD2 4.06Å; M596-L611 HydrophobicContact SD-CB 4.21Å; M596-L611 HydrophobicContact SD-CD2 3.62Å; M596-L611 HydrophobicContact SD-CG 3.94Å; E607-L611 PolarHBondContact O-N 2.92Å; T609-L611 VanDerWaalsContact C-N 3.32Å; T609-L611 PolarHBondContact O-N 3.07Å; L611-E613 VanDerWaalsContact C-N 3.33Å; L611-E614 PolarHBondContact O-N 3.03Å; L611-I615 WeakPolarHBondContact O-CG1 3.29Å; L611-I615 PolarHBondContact O-N 3.22Å; L611-L640 HydrophobicContact CD1-CD1 3.7Å; L611-L640 HydrophobicContact CG-CD1 4.37Å; L611-A643 HydrophobicContact CD1-CB 3.63Å; L611-L647 HydrophobicContact CB-CD2 4.25Å; L611-L647 HydrophobicContact CD2-CB 4.4Å; L611-L647 HydrophobicContact CD2-CD2 3.41Å; L611-L647 VanDerWaalsContact CD2-CD2 3.41Å; L611-L647 HydrophobicContact CD2-CG 4.49Å; L611-L647 HydrophobicContact CG-CD2 4.47Å
612	K	90.6	Very high	88	Confident	129 Å²	129	59.6 Å²	59.6	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-62.6	-38.4	171.1	-76.6	176	-179.2	-177.8	0	112.4	M596 C608 T609 E614 I615 T616	M596-K612 HydrophobicContact CE-CG 3.97Å; C608-K612 WeakPolarHBondContact O-CG 3.23Å; C608-K612 PolarHBondContact O-N 2.92Å; T609-K612 PolarHBondContact O-N 3.01Å; K612-E614 VanDerWaalsContact C-N 3.34Å; K612-I615 PolarHBondContact O-N 2.71Å; K612-T616 PolarHBondContact O-N 2.97Å; K612-T616 PolarHBondContact O-OG1 3.4Å; K612-T616 VanDerWaalsContact O-OG1 3.05Å
613	E	91.3	Very high	88.2	Confident	109 Å²	109	61.2 Å²	61.2	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-40	173.9	-69.4	173.3	-178.2	0	0	112	T609 K610 L611 T616 K617	T609-E613 WeakPolarHBondContact O-CG 3.37Å; T609-E613 PolarHBondContact O-N 3.03Å; K610-E613 WeakPolarHBondContact O-CB 3.49Å; K610-E613 PolarHBondContact O-N 2.94Å; L611-E613 VanDerWaalsContact C-N 3.33Å; E613-T616 PolarHBondContact O-N 2.89Å; E613-K617 WeakPolarHBondContact O-CG 3.3Å; E613-K617 PolarHBondContact O-N 2.75Å
614	E	90.9	Very high	88.4	Confident	52 Å²	52	65 Å²	65	24%	0.243	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-38.4	173.8	-69.3	-58.6	141.3	0	0	112.5	K610 L611 K612 K617 V618 L640	K610-E614 PolarHBondContact O-N 3.04Å; K610-E614 VanDerWaalsContact O-N 3.13Å; L611-E614 PolarHBondContact O-N 3.03Å; K612-E614 VanDerWaalsContact C-N 3.34Å; E614-K617 PolarHBondContact O-N 2.7Å; E614-K617 IonicContact OE1-NZ 3.99Å; E614-K617 PolarHBondContact OE1-NZ 3.49Å; E614-V618 WeakPolarHBondContact O-CG2 3.24Å; E614-V618 PolarHBondContact O-N 2.74Å; E614-V618 VanDerWaalsContact O-N 3.08Å; E614-L640 HydrophobicContact CB-CD1 3.93Å
615	I	91.6	Very high	88	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-48.7	172.5	-69.9	165.3	0	0	0	110.2	I589 T592 E593 M596 L611 K612 K617 V618 Q619 L640	I589-I615 HydrophobicContact CG1-CG2 4.5Å; I589-I615 HydrophobicContact CG2-CG2 3.96Å; T592-I615 HydrophobicContact CG2-CD1 4.06Å; E593-I615 HydrophobicContact CG-CD1 3.88Å; M596-I615 HydrophobicContact SD-CD1 3.94Å; L611-I615 WeakPolarHBondContact O-CG1 3.29Å; L611-I615 PolarHBondContact O-N 3.22Å; K612-I615 PolarHBondContact O-N 2.71Å; I615-K617 VanDerWaalsContact C-N 3.32Å; I615-K617 PolarHBondContact O-N 3.3Å; I615-V618 PolarHBondContact O-N 2.93Å; I615-V618 VanDerWaalsContact O-N 3.17Å; I615-Q619 HydrophobicContact CG2-CG 4.26Å; I615-Q619 WeakPolarHBondContact O-CG 3.32Å; I615-Q619 PolarHBondContact O-N 3.3Å; I615-L640 HydrophobicContact CG1-CD1 3.7Å; I615-L640 HydrophobicContact CG1-CD2 4.08Å
616	T	92.9	Very high	87.5	Confident	66 Å²	66	68.7 Å²	68.7	41%	0.405	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-41.8	178	-53.8	0	0	0	0	111.5	K612 E613 V618 Q619 D620	K612-T616 PolarHBondContact O-N 2.97Å; K612-T616 PolarHBondContact O-OG1 3.4Å; K612-T616 VanDerWaalsContact O-OG1 3.05Å; E613-T616 PolarHBondContact O-N 2.89Å; T616-V618 VanDerWaalsContact C-N 3.33Å; T616-V618 PolarHBondContact O-N 2.81Å; T616-Q619 WeakPolarHBondContact O-CB 3.34Å; T616-Q619 PolarHBondContact O-N 3.46Å; T616-Q619 VanDerWaalsContact O-N 3.16Å; T616-D620 WeakPolarHBondContact O-CB 3.47Å; T616-D620 VanDerWaalsContact O-CG 3.29Å; T616-D620 PolarHBondContact O-N 2.82Å
617	K	91.1	Very high	87.2	Confident	104 Å²	104	69.8 Å²	69.8	45%	0.452	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-42.3	176.3	-72.4	172.4	-167.6	171.8	0	112.5	E613 E614 I615 L621	E613-K617 WeakPolarHBondContact O-CG 3.3Å; E613-K617 PolarHBondContact O-N 2.75Å; E614-K617 PolarHBondContact O-N 2.7Å; E614-K617 IonicContact OE1-NZ 3.99Å; E614-K617 PolarHBondContact OE1-NZ 3.49Å; I615-K617 VanDerWaalsContact C-N 3.32Å; I615-K617 PolarHBondContact O-N 3.3Å; K617-L621 WeakPolarHBondContact O-CG 3.38Å; K617-L621 PolarHBondContact O-N 2.82Å; K617-L621 VanDerWaalsContact O-N 3.16Å
618	V	89.5	Confident	87.2	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-68	-41.4	176.1	-176.4	0	0	0	0	110	A585 I589 E614 I615 T616 D620 L621 L622 A636 L640	A585-V618 HydrophobicContact CB-CG1 3.88Å; I589-V618 HydrophobicContact CD1-CB 4Å; I589-V618 HydrophobicContact CD1-CG1 3.62Å; I589-V618 HydrophobicContact CG1-CB 4.33Å; I589-V618 HydrophobicContact CG1-CG1 4.12Å; E614-V618 WeakPolarHBondContact O-CG2 3.24Å; E614-V618 PolarHBondContact O-N 2.74Å; E614-V618 VanDerWaalsContact O-N 3.08Å; I615-V618 PolarHBondContact O-N 2.93Å; I615-V618 VanDerWaalsContact O-N 3.17Å; T616-V618 VanDerWaalsContact C-N 3.33Å; T616-V618 PolarHBondContact O-N 2.81Å; V618-D620 PolarHBondContact O-N 3.12Å; V618-L621 WeakPolarHBondContact O-CB 3.31Å; V618-L621 PolarHBondContact O-N 2.82Å; V618-L622 HydrophobicContact CG1-CD1 4.3Å; V618-L622 HydrophobicContact CG1-CG 4.43Å; V618-L622 VanDerWaalsContact O-CG 3.28Å; V618-L622 WeakPolarHBondContact O-CG 3.38Å; V618-L622 PolarHBondContact O-N 2.9Å; V618-A636 HydrophobicContact CG2-CB 4.06Å; V618-L640 HydrophobicContact CB-CD2 4.37Å; V618-L640 HydrophobicContact CG2-CB 4.02Å; V618-L640 HydrophobicContact CG2-CD2 3.92Å
619	Q	91.2	Very high	87.1	Confident	78 Å²	78	72 Å²	72	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-40.4	175.7	-71.9	172.9	-16.2	0	0	112.7	I589 E593 I615 T616 L622 A623	I589-Q619 HydrophobicContact CD1-CG 3.89Å; E593-Q619 PolarHBondContact OE1-NE2 3.19Å; I615-Q619 HydrophobicContact CG2-CG 4.26Å; I615-Q619 WeakPolarHBondContact O-CG 3.32Å; I615-Q619 PolarHBondContact O-N 3.3Å; T616-Q619 WeakPolarHBondContact O-CB 3.34Å; T616-Q619 PolarHBondContact O-N 3.46Å; T616-Q619 VanDerWaalsContact O-N 3.16Å; Q619-L622 CarbonylContact O-C 3.5Å; Q619-L622 PolarHBondContact O-N 2.87Å; Q619-A623 PolarHBondContact O-N 3.13Å
620	D	90.7	Very high	86.9	Confident	97 Å²	97	68.9 Å²	68.9	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-37.5	176.7	-72.4	-22.2	0	0	0	112.1	T616 V618 A623 N624	T616-D620 WeakPolarHBondContact O-CB 3.47Å; T616-D620 VanDerWaalsContact O-CG 3.29Å; T616-D620 PolarHBondContact O-N 2.82Å; V618-D620 PolarHBondContact O-N 3.12Å; D620-A623 WeakPolarHBondContact O-CB 3.27Å; D620-A623 PolarHBondContact O-N 2.89Å; D620-N624 PolarHBondContact O-N 3.47Å; D620-N624 PolarHBondContact O-ND2 3.14Å; D620-N624 VanDerWaalsContact O-ND2 3.13Å
621	L	88.2	Confident	86.8	Confident	44 Å²	44	71.4 Å²	71.4	23%	0.23	38%	0.376	C	S	.	.	H	α-helix	trans	-66.1	-40.8	172	-76.1	168.2	0	0	0	111.4	K617 V618 A623 N624 K625 E628 A636	K617-L621 WeakPolarHBondContact O-CG 3.38Å; K617-L621 PolarHBondContact O-N 2.82Å; K617-L621 VanDerWaalsContact O-N 3.16Å; V618-L621 WeakPolarHBondContact O-CB 3.31Å; V618-L621 PolarHBondContact O-N 2.82Å; L621-A623 VanDerWaalsContact C-N 3.3Å; L621-A623 PolarHBondContact O-N 3.06Å; L621-N624 CarbonylContact O-C 3.23Å; L621-N624 PolarHBondContact O-N 2.83Å; L621-N624 VanDerWaalsContact O-N 3.1Å; L621-K625 PolarHBondContact O-N 3.09Å; L621-E628 HydrophobicContact CD2-CG 4.02Å; L621-A636 HydrophobicContact CD1-CB 3.36Å
622	L	87.6	Confident	86.8	Confident	17 Å²	17	74.5 Å²	74.5	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-67.6	-29.7	176.5	-68.7	178.6	0	0	0	112.7	V582 A585 E586 I589 V618 Q619 N624 K625 I633	V582-L622 HydrophobicContact CB-CD2 4.15Å; V582-L622 HydrophobicContact CG1-CD2 4Å; V582-L622 HydrophobicContact CG2-CD2 3.9Å; A585-L622 HydrophobicContact CB-CD1 4.25Å; A585-L622 HydrophobicContact CB-CD2 4.12Å; E586-L622 HydrophobicContact CG-CD1 3.77Å; I589-L622 HydrophobicContact CD1-CD1 3.64Å; V618-L622 HydrophobicContact CG1-CD1 4.3Å; V618-L622 HydrophobicContact CG1-CG 4.43Å; V618-L622 VanDerWaalsContact O-CG 3.28Å; V618-L622 WeakPolarHBondContact O-CG 3.38Å; V618-L622 PolarHBondContact O-N 2.9Å; Q619-L622 CarbonylContact O-C 3.5Å; Q619-L622 PolarHBondContact O-N 2.87Å; L622-N624 PolarHBondContact O-N 3.33Å; L622-K625 VanDerWaalsContact O-CB 3.25Å; L622-K625 WeakPolarHBondContact O-CB 3.4Å; L622-K625 WeakPolarHBondContact O-CD 3.36Å; L622-K625 VanDerWaalsContact O-CG 3.24Å; L622-K625 WeakPolarHBondContact O-CG 3.41Å; L622-K625 PolarHBondContact O-N 3.44Å; L622-I633 HydrophobicContact CD2-CG2 4.04Å
623	A	88.4	Confident	86.7	Confident	79 Å²	79	68.4 Å²	68.4	65%	0.653	37%	0.366	S	S	*	.	H	α-helix	trans	-63.4	-27.9	171.8	0	0	0	0	0	112.1	Q619 D620 L621	Q619-A623 PolarHBondContact O-N 3.13Å; D620-A623 WeakPolarHBondContact O-CB 3.27Å; D620-A623 PolarHBondContact O-N 2.89Å; L621-A623 VanDerWaalsContact C-N 3.3Å; L621-A623 PolarHBondContact O-N 3.06Å
624	N	85.6	Confident	86.6	Confident	93 Å²	93	69 Å²	69	50%	0.497	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	23.9	176.7	-61.4	-60.2	0	0	0	113	D620 L621 L622 D626 T627 E628	D620-N624 PolarHBondContact O-N 3.47Å; D620-N624 PolarHBondContact O-ND2 3.14Å; D620-N624 VanDerWaalsContact O-ND2 3.13Å; L621-N624 CarbonylContact O-C 3.23Å; L621-N624 PolarHBondContact O-N 2.83Å; L621-N624 VanDerWaalsContact O-N 3.1Å; L622-N624 PolarHBondContact O-N 3.33Å; N624-D626 PolarHBondContact O-N 2.91Å; N624-T627 PolarHBondContact O-N 2.86Å; N624-T627 PolarHBondContact O-OG1 3.06Å; N624-T627 VanDerWaalsContact O-OG1 3.1Å; N624-E628 HydrophobicContact CB-CG 4.43Å; N624-E628 PolarHBondContact O-N 2.8Å
625	K	77.8	Confident	86.6	Confident	81 Å²	81	72 Å²	72	35%	0.352	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.8	-175.2	63	-173.5	175.4	-172.2	0	115	R578 V582 L621 L622	R578-K625 VanDerWaalsContact CD-O 3.27Å; R578-K625 WeakPolarHBondContact CD-O 3.1Å; R578-K625 PolarHBondContact NH1-O 3.19Å; V582-K625 HydrophobicContact CG1-CD 4.35Å; V582-K625 HydrophobicContact CG2-CB 3.94Å; V582-K625 HydrophobicContact CG2-CD 4.44Å; L621-K625 PolarHBondContact O-N 3.09Å; L622-K625 VanDerWaalsContact O-CB 3.25Å; L622-K625 WeakPolarHBondContact O-CB 3.4Å; L622-K625 WeakPolarHBondContact O-CD 3.36Å; L622-K625 VanDerWaalsContact O-CG 3.24Å; L622-K625 WeakPolarHBondContact O-CG 3.41Å; L622-K625 PolarHBondContact O-N 3.44Å
626	D	72.1	Confident	86.6	Confident	120 Å²	120	72.4 Å²	72.4	64%	0.642	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.7	-179	-65.2	-41.6	0	0	0	113.5	R578 N624	R578-D626 PolarHBondContact NH1-O 3.03Å; N624-D626 PolarHBondContact O-N 2.91Å
627	T	78.4	Confident	86.4	Confident	120 Å²	120	69.3 Å²	69.3	74%	0.736	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-15.2	177.9	50.7	0	0	0	0	113.4	N624	N624-T627 PolarHBondContact O-N 2.86Å; N624-T627 PolarHBondContact O-OG1 3.06Å; N624-T627 VanDerWaalsContact O-OG1 3.1Å
628	E	83.3	Confident	86.5	Confident	56 Å²	56	67.3 Å²	67.3	26%	0.262	36%	0.361	S	S	.	.	S	Bend	trans	-84.3	158.3	179.7	-84.6	-60.6	162.7	0	0	114.2	R578 L621 N624 N632 I633	R578-E628 VanDerWaalsContact CD-O 3.24Å; R578-E628 WeakPolarHBondContact CD-O 3.18Å; L621-E628 HydrophobicContact CD2-CG 4.02Å; N624-E628 HydrophobicContact CB-CG 4.43Å; N624-E628 PolarHBondContact O-N 2.8Å; E628-N632 PolarHBondContact OE2-ND2 3.09Å; E628-I633 HydrophobicContact CB-CD1 4.16Å; E628-I633 HydrophobicContact CB-CG1 4.25Å
629	T	83.4	Confident	86.6	Confident	72 Å²	72	70.9 Å²	70.9	44%	0.442	38%	0.38	S	S	.	.			trans	-85.7	144.3	176	70.4	0	0	0	0	111	E631 N632 I633	T629-E631 PolarHBondContact O-N 2.95Å; T629-N632 PolarHBondContact O-N 3.09Å; T629-N632 WeakPolarHBondContact OG1-CB 3.43Å; T629-N632 PolarHBondContact OG1-N 3.18Å; T629-N632 PolarHBondContact OG1-ND2 3.24Å; T629-N632 VanDerWaalsContact OG1-ND2 3.15Å; T629-N632 PolarHBondContact OG1-OD1 2.82Å; T629-I633 PolarHBondContact O-N 2.82Å
630	G	82.7	Confident	86.7	Confident	14 Å²	14	67.2 Å²	67.2	14%	0.144	36%	0.362	C	S	.	.	H	α-helix	trans	-57.7	-31.1	175.2	0	0	0	0	0	112.8	A581 K634	A581-G630 VanDerWaalsContact CB-O 3.28Å; A581-G630 WeakPolarHBondContact CB-O 3.2Å; G630-K634 WeakPolarHBondContact O-CB 3.41Å; G630-K634 PolarHBondContact O-N 2.9Å
631	E	86.9	Confident	86.7	Confident	157 Å²	157	66.5 Å²	66.5	73%	0.734	36%	0.356	S	S	*	.	H	α-helix	trans	-69.5	-43.2	178.3	-167.2	152.3	-159.3	0	0	112.6	T629 K634 Q635	T629-E631 PolarHBondContact O-N 2.95Å; E631-K634 PolarHBondContact O-N 2.82Å; E631-Q635 WeakPolarHBondContact O-CB 3.46Å; E631-Q635 PolarHBondContact O-N 3.47Å
632	N	87.9	Confident	86.9	Confident	69 Å²	69	69.9 Å²	69.9	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-47	174.4	-70.7	-13.7	0	0	0	111.6	E628 T629 K634 Q635 A636	E628-N632 PolarHBondContact OE2-ND2 3.09Å; T629-N632 PolarHBondContact O-N 3.09Å; T629-N632 WeakPolarHBondContact OG1-CB 3.43Å; T629-N632 PolarHBondContact OG1-N 3.18Å; T629-N632 PolarHBondContact OG1-ND2 3.24Å; T629-N632 VanDerWaalsContact OG1-ND2 3.15Å; T629-N632 PolarHBondContact OG1-OD1 2.82Å; N632-K634 VanDerWaalsContact C-N 3.33Å; N632-K634 PolarHBondContact O-N 2.99Å; N632-Q635 PolarHBondContact O-N 2.86Å; N632-A636 PolarHBondContact O-N 3.06Å
633	I	88.7	Confident	87	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-60.9	-45.6	178.5	-63.8	172.2	0	0	0	110	R578 A581 V582 A585 L622 E628 T629 Q635 A636 A637	R578-I633 HydrophobicContact CG-CD1 4.32Å; A581-I633 HydrophobicContact CB-CB 4.14Å; A581-I633 HydrophobicContact CB-CG2 4.01Å; V582-I633 HydrophobicContact CG2-CD1 3.82Å; A585-I633 HydrophobicContact CB-CG2 3.9Å; L622-I633 HydrophobicContact CD2-CG2 4.04Å; E628-I633 HydrophobicContact CB-CD1 4.16Å; E628-I633 HydrophobicContact CB-CG1 4.25Å; T629-I633 PolarHBondContact O-N 2.82Å; I633-Q635 PolarHBondContact O-N 2.99Å; I633-A636 PolarHBondContact O-N 2.77Å; I633-A637 VanDerWaalsContact O-CB 3.31Å; I633-A637 WeakPolarHBondContact O-CB 3.45Å; I633-A637 PolarHBondContact O-N 2.79Å
634	K	89.3	Confident	87	Confident	123 Å²	123	67.5 Å²	67.5	54%	0.535	35%	0.353	S	S	.	.	H	α-helix	trans	-64.4	-39.5	178.9	-169.8	174.2	-174.7	174.6	0	112.1	A581 G630 E631 N632 A637 N638	A581-K634 HydrophobicContact CB-CB 4.19Å; G630-K634 WeakPolarHBondContact O-CB 3.41Å; G630-K634 PolarHBondContact O-N 2.9Å; E631-K634 PolarHBondContact O-N 2.82Å; N632-K634 VanDerWaalsContact C-N 3.33Å; N632-K634 PolarHBondContact O-N 2.99Å; K634-A637 PolarHBondContact O-N 2.85Å; K634-N638 WeakPolarHBondContact O-CB 3.41Å; K634-N638 PolarHBondContact O-N 2.8Å; K634-N638 PolarHBondContact O-ND2 3.29Å
635	Q	91.9	Very high	87.2	Confident	113 Å²	113	68 Å²	68	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-45.3	177	-171.9	177.4	6	0	0	111.4	E631 N632 I633 N638 N639	E631-Q635 WeakPolarHBondContact O-CB 3.46Å; E631-Q635 PolarHBondContact O-N 3.47Å; N632-Q635 PolarHBondContact O-N 2.86Å; I633-Q635 PolarHBondContact O-N 2.99Å; Q635-N638 PolarHBondContact O-N 2.78Å; Q635-N639 PolarHBondContact O-N 2.93Å; Q635-N639 PolarHBondContact O-ND2 2.82Å; Q635-N639 PolarHBondContact O-OD1 2.94Å
636	A	90.6	Very high	87.7	Confident	16 Å²	16	70.9 Å²	70.9	13%	0.132	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-43.7	176.3	0	0	0	0	0	111.7	V618 L621 N632 I633 N638 N639 L640	V618-A636 HydrophobicContact CG2-CB 4.06Å; L621-A636 HydrophobicContact CD1-CB 3.36Å; N632-A636 PolarHBondContact O-N 3.06Å; I633-A636 PolarHBondContact O-N 2.77Å; A636-N638 PolarHBondContact O-N 2.86Å; A636-N639 PolarHBondContact O-N 3.07Å; A636-L640 PolarHBondContact O-N 3.04Å
637	A	89.8	Confident	88.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-42.3	175.2	0	0	0	0	0	112.5	A585 I588 I633 K634 L640 Q641	A585-A637 HydrophobicContact CB-CB 3.78Å; I588-A637 HydrophobicContact CD1-CB 3.97Å; I633-A637 VanDerWaalsContact O-CB 3.31Å; I633-A637 WeakPolarHBondContact O-CB 3.45Å; I633-A637 PolarHBondContact O-N 2.79Å; K634-A637 PolarHBondContact O-N 2.85Å; A637-L640 PolarHBondContact O-N 2.89Å; A637-Q641 WeakPolarHBondContact O-CB 3.48Å; A637-Q641 PolarHBondContact O-N 3.45Å
638	N	92.3	Very high	88.7	Confident	63 Å²	63	60.7 Å²	60.7	34%	0.337	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-39.4	175.4	-75	-22.6	0	0	0	112.2	K634 Q635 A636 Q641 Q642	K634-N638 WeakPolarHBondContact O-CB 3.41Å; K634-N638 PolarHBondContact O-N 2.8Å; K634-N638 PolarHBondContact O-ND2 3.29Å; Q635-N638 PolarHBondContact O-N 2.78Å; A636-N638 PolarHBondContact O-N 2.86Å; N638-Q641 PolarHBondContact O-N 2.8Å; N638-Q642 WeakPolarHBondContact O-CB 3.31Å; N638-Q642 WeakPolarHBondContact O-CG 3.47Å; N638-Q642 PolarHBondContact O-N 3.38Å
639	N	92.4	Very high	88.7	Confident	76 Å²	76	63 Å²	63	41%	0.406	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-45.6	176.4	-69.8	-15.4	0	0	0	110.9	Q635 A636 Q641 Q642 A643	Q635-N639 PolarHBondContact O-N 2.93Å; Q635-N639 PolarHBondContact O-ND2 2.82Å; Q635-N639 PolarHBondContact O-OD1 2.94Å; A636-N639 PolarHBondContact O-N 3.07Å; N639-Q641 PolarHBondContact O-N 2.83Å; N639-Q642 PolarHBondContact O-N 2.76Å; N639-A643 WeakPolarHBondContact O-CB 3.35Å; N639-A643 PolarHBondContact O-N 3.24Å
640	L	92.3	Very high	88.6	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-46.6	173.7	173.8	59.9	0	0	0	111.1	I588 I589 T592 L611 E614 I615 V618 A636 A637 Q642 A643 S644	I588-L640 HydrophobicContact CG2-CB 4.39Å; I588-L640 HydrophobicContact CG2-CD2 3.89Å; I588-L640 HydrophobicContact CG2-CG 3.92Å; I589-L640 HydrophobicContact CG1-CD2 3.8Å; T592-L640 HydrophobicContact CG2-CD1 4.31Å; L611-L640 HydrophobicContact CD1-CD1 3.7Å; L611-L640 HydrophobicContact CG-CD1 4.37Å; E614-L640 HydrophobicContact CB-CD1 3.93Å; I615-L640 HydrophobicContact CG1-CD1 3.7Å; I615-L640 HydrophobicContact CG1-CD2 4.08Å; V618-L640 HydrophobicContact CB-CD2 4.37Å; V618-L640 HydrophobicContact CG2-CB 4.02Å; V618-L640 HydrophobicContact CG2-CD2 3.92Å; A636-L640 PolarHBondContact O-N 3.04Å; A637-L640 PolarHBondContact O-N 2.89Å; L640-Q642 PolarHBondContact O-N 3.43Å; L640-A643 PolarHBondContact O-N 2.78Å; L640-S644 WeakPolarHBondContact O-CB 2.99Å; L640-S644 PolarHBondContact O-N 2.79Å
641	Q	91.7	Very high	88.4	Confident	82 Å²	82	64.1 Å²	64.1	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-46.3	177.7	-171	-179.7	7.6	0	0	111.5	I588 A637 N638 N639 A643 S644 L645	I588-Q641 HydrophobicContact CD1-CB 4.2Å; I588-Q641 HydrophobicContact CG2-CB 4.09Å; A637-Q641 WeakPolarHBondContact O-CB 3.48Å; A637-Q641 PolarHBondContact O-N 3.45Å; N638-Q641 PolarHBondContact O-N 2.8Å; N639-Q641 PolarHBondContact O-N 2.83Å; Q641-A643 PolarHBondContact O-N 2.94Å; Q641-S644 PolarHBondContact O-N 2.91Å; Q641-S644 PolarHBondContact O-OG 2.86Å; Q641-L645 HydrophobicContact CG-CD1 4.41Å; Q641-L645 WeakPolarHBondContact O-CG 3.36Å; Q641-L645 PolarHBondContact O-N 3.46Å
642	Q	91.6	Very high	88.1	Confident	116 Å²	116	63.9 Å²	63.9	54%	0.542	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-40.3	177.5	-74.3	-176	4.7	0	0	112.6	N638 N639 L640 L645 K646	N638-Q642 WeakPolarHBondContact O-CB 3.31Å; N638-Q642 WeakPolarHBondContact O-CG 3.47Å; N638-Q642 PolarHBondContact O-N 3.38Å; N639-Q642 PolarHBondContact O-N 2.76Å; L640-Q642 PolarHBondContact O-N 3.43Å; Q642-L645 PolarHBondContact O-N 3.22Å; Q642-K646 WeakPolarHBondContact O-CG 3.26Å; Q642-K646 PolarHBondContact O-N 3.18Å
643	A	89.7	Confident	87.7	Confident	36 Å²	36	66.9 Å²	66.9	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175.3	0	0	0	0	0	111.1	L611 N639 L640 Q641 L645 K646 L647	L611-A643 HydrophobicContact CD1-CB 3.63Å; N639-A643 WeakPolarHBondContact O-CB 3.35Å; N639-A643 PolarHBondContact O-N 3.24Å; L640-A643 PolarHBondContact O-N 2.78Å; Q641-A643 PolarHBondContact O-N 2.94Å; A643-L645 PolarHBondContact O-N 3.3Å; A643-K646 PolarHBondContact O-N 3.23Å; A643-L647 PolarHBondContact O-N 2.75Å; A643-L647 VanDerWaalsContact O-N 3.13Å
644	S	89.3	Confident	87.1	Confident	10 Å²	10	71.6 Å²	71.6	7%	0.07	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-44.2	177.4	80.9	0	0	0	0	112	L640 Q641 K646 L647 F648	L640-S644 WeakPolarHBondContact O-CB 2.99Å; L640-S644 PolarHBondContact O-N 2.79Å; Q641-S644 PolarHBondContact O-N 2.91Å; Q641-S644 PolarHBondContact O-OG 2.86Å; S644-K646 PolarHBondContact O-N 2.79Å; S644-L647 PolarHBondContact O-N 3.38Å; S644-F648 WeakPolarHBondContact O-CD2 3.26Å; S644-F648 WeakPolarHBondContact O-CG 3.45Å; S644-F648 PolarHBondContact O-N 3.19Å
645	L	89.8	Confident	86.3	Confident	104 Å²	104	68.5 Å²	68.5	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-44	179.4	-74	171.6	0	0	0	111.9	Q641 Q642 A643 L647 F648 E649	Q641-L645 HydrophobicContact CG-CD1 4.41Å; Q641-L645 WeakPolarHBondContact O-CG 3.36Å; Q641-L645 PolarHBondContact O-N 3.46Å; Q642-L645 PolarHBondContact O-N 3.22Å; A643-L645 PolarHBondContact O-N 3.3Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 3.5Å; L645-F648 PolarHBondContact O-N 2.82Å; L645-E649 VanDerWaalsContact O-CB 3.3Å; L645-E649 WeakPolarHBondContact O-CB 3.33Å; L645-E649 PolarHBondContact O-N 2.81Å
646	K	86.9	Confident	85.4	Confident	141 Å²	141	65.7 Å²	65.7	61%	0.613	32%	0.324	S	S	*	.	H	α-helix	trans	-60.6	-44.1	176.6	-72.9	175.2	-178.4	174.9	0	111.5	Q642 A643 S644 E649 M650	Q642-K646 WeakPolarHBondContact O-CG 3.26Å; Q642-K646 PolarHBondContact O-N 3.18Å; A643-K646 PolarHBondContact O-N 3.23Å; S644-K646 PolarHBondContact O-N 2.79Å; K646-E649 PolarHBondContact O-N 3.35Å; K646-M650 WeakPolarHBondContact O-CG 3.4Å; K646-M650 PolarHBondContact O-N 2.89Å
647	L	85.5	Confident	84.4	Confident	6 Å²	6	68.1 Å²	68.1	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-47.5	-179.9	-179.1	58.2	0	0	0	111.8	L603 E607 L611 A643 S644 L645 E649 M650 A651	L603-L647 HydrophobicContact CD2-CD1 3.66Å; L603-L647 HydrophobicContact CD2-CD2 4.02Å; L603-L647 HydrophobicContact CD2-CG 3.53Å; E607-L647 HydrophobicContact CB-CD1 3.53Å; E607-L647 HydrophobicContact CG-CD1 4.39Å; L611-L647 HydrophobicContact CB-CD2 4.25Å; L611-L647 HydrophobicContact CD2-CB 4.4Å; L611-L647 HydrophobicContact CD2-CD2 3.41Å; L611-L647 VanDerWaalsContact CD2-CD2 3.41Å; L611-L647 HydrophobicContact CD2-CG 4.49Å; L611-L647 HydrophobicContact CG-CD2 4.47Å; A643-L647 PolarHBondContact O-N 2.75Å; A643-L647 VanDerWaalsContact O-N 3.13Å; S644-L647 PolarHBondContact O-N 3.38Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 3.5Å; L647-E649 PolarHBondContact O-N 3.44Å; L647-M650 WeakPolarHBondContact O-CB 3.47Å; L647-M650 PolarHBondContact O-N 3.25Å; L647-A651 PolarHBondContact O-N 3.08Å; L647-A651 VanDerWaalsContact O-N 3.16Å
648	F	86.1	Confident	83.3	Confident	19 Å²	19	73.3 Å²	73.3	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-71.2	-29.4	179.9	-62.3	-53.7	0	0	0	112.9	K595 M596 F599 L603 S644 L645 M650 A651 Y652	K595-F648 HydrophobicContact CB-CD1 4.3Å; K595-F648 HydrophobicContact CB-CD2 4.47Å; K595-F648 HydrophobicContact CB-CE1 3.53Å; K595-F648 HydrophobicContact CB-CE2 3.73Å; K595-F648 HydrophobicContact CB-CZ 3.21Å; K595-F648 HydrophobicContact CD-CD2 4.22Å; K595-F648 HydrophobicContact CD-CE2 3.96Å; K595-F648 HydrophobicContact CD-CZ 4.32Å; K595-F648 HydrophobicContact CG-CZ 4.4Å; M596-F648 HydrophobicContact CG-CE1 4.33Å; M596-F648 HydrophobicContact CG-CZ 3.93Å; F599-F648 HydrophobicContact CD2-CD1 4.14Å; F599-F648 HydrophobicContact CD2-CE1 4.29Å; L603-F648 HydrophobicContact CD1-CE1 4.15Å; L603-F648 HydrophobicContact CD2-CD1 4.39Å; S644-F648 WeakPolarHBondContact O-CD2 3.26Å; S644-F648 WeakPolarHBondContact O-CG 3.45Å; S644-F648 PolarHBondContact O-N 3.19Å; L645-F648 PolarHBondContact O-N 2.82Å; F648-M650 VanDerWaalsContact C-N 3.3Å; F648-M650 PolarHBondContact O-N 2.85Å; F648-A651 PolarHBondContact O-N 3.39Å; F648-Y652 PolarHBondContact O-N 2.59Å
649	E	85.1	Confident	81.8	Confident	105 Å²	105	80 Å²	80	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-39	170.9	-170.2	-173	163.3	0	0	111.4	L645 K646 L647 Y652 K653	L645-E649 VanDerWaalsContact O-CB 3.3Å; L645-E649 WeakPolarHBondContact O-CB 3.33Å; L645-E649 PolarHBondContact O-N 2.81Å; K646-E649 PolarHBondContact O-N 3.35Å; L647-E649 PolarHBondContact O-N 3.44Å; E649-Y652 PolarHBondContact O-N 3.41Å; E649-K653 WeakPolarHBondContact O-CG 3.35Å; E649-K653 PolarHBondContact O-N 2.88Å; E649-K653 VanDerWaalsContact OE1-CE 3.22Å; E649-K653 WeakPolarHBondContact OE1-CE 3.46Å; E649-K653 IonicContact OE1-NZ 3.49Å; E649-K653 PolarHBondContact OE1-NZ 2.88Å
650	M	79.9	Confident	80.1	Confident	109 Å²	109	82.4 Å²	82.4	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-65.8	-42.2	174.8	-66.8	176.5	82.6	0	0	111.8	K646 L647 F648 K653 K654	K646-M650 WeakPolarHBondContact O-CG 3.4Å; K646-M650 PolarHBondContact O-N 2.89Å; L647-M650 WeakPolarHBondContact O-CB 3.47Å; L647-M650 PolarHBondContact O-N 3.25Å; F648-M650 VanDerWaalsContact C-N 3.3Å; F648-M650 PolarHBondContact O-N 2.85Å; M650-K653 PolarHBondContact O-N 2.92Å; M650-K654 WeakPolarHBondContact O-CB 3.27Å; M650-K654 PolarHBondContact O-N 3.12Å
651	A	78	Confident	78.1	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.008	43%	0.425	C	S	.	.	H	α-helix	trans	-60.8	-44.8	175	0	0	0	0	0	111.9	L603 L647 F648 K654 M655	L603-A651 HydrophobicContact CD2-CB 3.76Å; L603-A651 HydrophobicContact CG-CB 4.46Å; L647-A651 PolarHBondContact O-N 3.08Å; L647-A651 VanDerWaalsContact O-N 3.16Å; F648-A651 PolarHBondContact O-N 3.39Å; A651-K654 PolarHBondContact O-N 3.17Å; A651-M655 PolarHBondContact O-N 3.38Å
652	Y	80.7	Confident	75.9	Confident	151 Å²	151	84.9 Å²	84.9	59%	0.592	44%	0.436	S	S	*	.	H	α-helix	trans	-63.7	-43.5	177.6	-102.6	-84.7	0	0	0	112.7	F599 F648 E649 K654 M655 A656	F599-Y652 HydrophobicContact CZ-CE2 4.27Å; F648-Y652 PolarHBondContact O-N 2.59Å; E649-Y652 PolarHBondContact O-N 3.41Å; Y652-K654 VanDerWaalsContact C-N 3.28Å; Y652-K654 PolarHBondContact O-N 2.87Å; Y652-M655 PolarHBondContact O-N 3.41Å; Y652-A656 VanDerWaalsContact O-CB 3.31Å; Y652-A656 WeakPolarHBondContact O-CB 3.22Å; Y652-A656 PolarHBondContact O-N 3.44Å
653	K	81	Confident	73.5	Confident	133 Å²	133	84 Å²	84	58%	0.578	44%	0.442	S	S	*	.	H	α-helix	trans	-62.2	-37.8	175.4	-76.3	176.7	-175.6	167.1	0	111.7	E649 M650 A657	E649-K653 WeakPolarHBondContact O-CG 3.35Å; E649-K653 PolarHBondContact O-N 2.88Å; E649-K653 VanDerWaalsContact OE1-CE 3.22Å; E649-K653 WeakPolarHBondContact OE1-CE 3.46Å; E649-K653 IonicContact OE1-NZ 3.49Å; E649-K653 PolarHBondContact OE1-NZ 2.88Å; M650-K653 PolarHBondContact O-N 2.92Å; K653-A657 WeakPolarHBondContact O-CB 3.37Å; K653-A657 PolarHBondContact O-N 2.98Å
654	K	74.5	Confident	71	Confident	99 Å²	99	87.3 Å²	87.3	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-68.5	-45.9	177	-167.4	-178.5	175.2	-168.8	0	111.8	M650 A651 Y652 A656 A657 E658	M650-K654 WeakPolarHBondContact O-CB 3.27Å; M650-K654 PolarHBondContact O-N 3.12Å; A651-K654 PolarHBondContact O-N 3.17Å; Y652-K654 VanDerWaalsContact C-N 3.28Å; Y652-K654 PolarHBondContact O-N 2.87Å; K654-A656 PolarHBondContact O-N 3.16Å; K654-A657 PolarHBondContact O-N 2.92Å; K654-E658 WeakPolarHBondContact CE-OE1 3.24Å; K654-E658 WeakPolarHBondContact O-CG 3.33Å; K654-E658 PolarHBondContact O-N 2.94Å
655	M	73.2	Confident	68.8	Low	59 Å²	59	90 Å²	90	29%	0.291	49%	0.493	S	S	.	.	H	α-helix	trans	-61.8	-40.8	174.2	-78.3	-171.9	168.8	0	0	112.5	F599 Q602 A651 Y652 E658 R659	F599-M655 HydrophobicContact CD1-CE 3.53Å; F599-M655 HydrophobicContact CD1-SD 4.16Å; F599-M655 HydrophobicContact CE1-CE 3.76Å; F599-M655 HydrophobicContact CE1-SD 3.96Å; Q602-M655 HydrophobicContact CB-CE 4.12Å; Q602-M655 HydrophobicContact CG-CE 3.44Å; Q602-M655 VanDerWaalsContact CG-CE 3.44Å; Q602-M655 HydrophobicContact CG-CG 4.17Å; A651-M655 PolarHBondContact O-N 3.38Å; Y652-M655 PolarHBondContact O-N 3.41Å; M655-E658 PolarHBondContact O-N 3.43Å; M655-R659 WeakPolarHBondContact O-CB 3.48Å; M655-R659 PolarHBondContact O-N 3.45Å
656	A	73.7	Confident	66.3	Low	54 Å²	54	90.7 Å²	90.7	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-41.2	176.2	0	0	0	0	0	111.7	Y652 K654 R659 D660	Y652-A656 VanDerWaalsContact O-CB 3.31Å; Y652-A656 WeakPolarHBondContact O-CB 3.22Å; Y652-A656 PolarHBondContact O-N 3.44Å; K654-A656 PolarHBondContact O-N 3.16Å; A656-R659 PolarHBondContact O-N 3.49Å; A656-D660 PolarHBondContact O-N 3.22Å
657	A	69.9	Low	63.7	Low	66 Å²	66	90 Å²	90	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-36.2	175.2	0	0	0	0	0	112.9	K653 K654 R659 G661	K653-A657 WeakPolarHBondContact O-CB 3.37Å; K653-A657 PolarHBondContact O-N 2.98Å; K654-A657 PolarHBondContact O-N 2.92Å; A657-R659 VanDerWaalsContact C-N 3.34Å; A657-G661 PolarHBondContact O-N 3.3Å
658	E	65.8	Low	61.1	Low	110 Å²	110	95.6 Å²	95.6	51%	0.514	56%	0.559	S	S	.	*	H	α-helix	trans	-69.9	-31.2	173.7	-75	172.4	-177	0	0	111.9	K654 M655 S662	K654-E658 WeakPolarHBondContact CE-OE1 3.24Å; K654-E658 WeakPolarHBondContact O-CG 3.33Å; K654-E658 PolarHBondContact O-N 2.94Å; M655-E658 PolarHBondContact O-N 3.43Å; E658-S662 PolarHBondContact O-N 2.61Å
659	R	61.7	Low	58.5	Low	202 Å²	202	98.2 Å²	98.2	76%	0.762	59%	0.592	S	S	*	*	H	α-helix	trans	-74	-43.9	176.2	-140.5	173.7	-172.8	174.8	2	112.5	M655 A656 A657 G661 S662	M655-R659 WeakPolarHBondContact O-CB 3.48Å; M655-R659 PolarHBondContact O-N 3.45Å; A656-R659 PolarHBondContact O-N 3.49Å; A657-R659 VanDerWaalsContact C-N 3.34Å; R659-G661 VanDerWaalsContact C-N 3.31Å; R659-S662 PolarHBondContact O-N 2.83Å; R659-S662 PolarHBondContact O-OG 3.28Å
660	D	54.8	Low	55.8	Low	127 Å²	127	99.3 Å²	99.3	68%	0.679	61%	0.611	S	S	*	*	H	α-helix	trans	-69.9	-27.2	173.5	-86.4	-12.8	0	0	0	112.5	A656 S662 S663	A656-D660 PolarHBondContact O-N 3.22Å; D660-S662 VanDerWaalsContact C-N 3.29Å; D660-S662 PolarHBondContact O-N 2.93Å; D660-S663 PolarHBondContact O-OG 3.35Å
661	G	50.8	Low	53.4	Low	48 Å²	48	103.9 Å²	103.9	50%	0.495	63%	0.631	S	S	.	*	H	α-helix	trans	-66.7	-29.8	170.3	0	0	0	0	0	113.2	A657 R659 S664	A657-G661 PolarHBondContact O-N 3.3Å; R659-G661 VanDerWaalsContact C-N 3.31Å; G661-S664 PolarHBondContact O-OG 2.77Å
662	S	46.1	Very low	51.2	Low	87 Å²	87	107.3 Å²	107.3	61%	0.608	67%	0.666	S	S	*	*	H	α-helix	trans	-81.7	-12.7	-179.2	74.7	0	0	0	0	114.9	E658 R659 D660	E658-S662 PolarHBondContact O-N 2.61Å; R659-S662 PolarHBondContact O-N 2.83Å; R659-S662 PolarHBondContact O-OG 3.28Å; D660-S662 VanDerWaalsContact C-N 3.29Å; D660-S662 PolarHBondContact O-N 2.93Å
663	S	40.7	Very low	48.8	Very low	96 Å²	96	109.9 Å²	109.9	67%	0.671	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	4.5	177	62.5	0	0	0	0	114.8	D660	D660-S663 PolarHBondContact O-OG 3.35Å
664	S	38.4	Very low	46.5	Very low	107 Å²	107	112.9 Å²	112.9	75%	0.748	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	15.2	177.8	65.7	0	0	0	0	114.3	G661	G661-S664 PolarHBondContact O-OG 2.77Å
665	G	42.7	Very low	44.5	Very low	67 Å²	67	117.1 Å²	117.1	69%	0.691	72%	0.715	S	S	*	*	S	Bend	trans	-133.5	33.4	-169.8	0	0	0	0	0	116.8
666	S	37.4	Very low	42.8	Very low	118 Å²	118	123.5 Å²	123.5	83%	0.825	74%	0.744	S	S	*	*			trans	-161.1	94.3	157.4	73.8	0	0	0	0	113.3
667	S	31.9	Very low	40.8	Very low	125 Å²	125	124.7 Å²	124.7	87%	0.874	76%	0.762	S	S	*	*			trans	-154	83	153.5	57.4	0	0	0	0	111.7
668	S	30.7	Very low	39.4	Very low	124 Å²	124	130.6 Å²	130.6	87%	0.867	78%	0.778	S	S	*	*			trans	-148.2	107.3	149.6	56.5	0	0	0	0	111.6
669	G	31.2	Very low	38	Very low	75 Å²	75	138 Å²	138	77%	0.773	81%	0.813	S	S	*	*			trans	94.4	96.3	144.2	0	0	0	0	0	118.8
670	S	27.9	Very low	36.9	Very low	128 Å²	128	134.8 Å²	134.8	90%	0.895	82%	0.815	S	S	*	*				-176.3	127.5	112.6	35.3	0	0	0	0	111.7
671	E	31.3	Very low	35.9	Very low	204 Å²	204	135.2 Å²	135.2	95%	0.953	82%	0.822	S	S	*	*			trans	-74.2	146.6	172.1	-72.7	175.2	130.7	0	0	111.9
672	G	30.7	Very low	35.1	Very low	73 Å²	73	140 Å²	140	75%	0.753	84%	0.84	S	S	*	*			trans	112	98.5	141.7	0	0	0	0	0	117.6
673	E	30	Very low	34.4	Very low	205 Å²	205	143.1 Å²	143.1	96%	0.958	85%	0.854	S	S	*	*				178.3	147.3	107.4	-106.5	-173	148.6	0	0	113.4
674	K	32.9	Very low	34	Very low	197 Å²	197	146.1 Å²	146.1	86%	0.857	87%	0.866	S	S	*	*			trans	-75.9	148.3	-179.3	-75.4	172.6	169.7	176.5	0	113.4
675	K	32.5	Very low	33.8	Very low	188 Å²	188	148.7 Å²	148.7	82%	0.817	87%	0.873	S	S	*	*				175.4	116.7	125.2	-98.3	174	178.6	-178.3	0	109.7
676	E	36.8	Very low	33.1	Very low	192 Å²	192	154.5 Å²	154.5	90%	0.897	89%	0.886	S	S	*	*				57.2	121.3	98.8	-87.4	-173.2	167.2	0	0	115.5
677	G	33.6	Very low	32.8	Very low	79 Å²	79	157.3 Å²	157.3	81%	0.814	89%	0.891	S	S	*	*			trans	150.7	111.1	154.6	0	0	0	0	0	116.2
678	Q	39.4	Very low	32.9	Very low	190 Å²	190	160 Å²	160	89%	0.888	89%	0.893	S	S	*	*			trans	-53.3	143.9	170.6	-65	156.4	-23.5	0	0	114.2
679	Q	37.3	Very low	33	Very low	265 Å²	265	163.3 Å²	163.3	100%	1.238	90%	0.895	S	S	*	*				-178.5	0	98.8	-114	178.4	6.9	0	0	110.9

Retrieved 679 of 679 residues in 152.6 ms (Link to these results)

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