A0A060VZH5_ONCMY Loading...

Si:ch211-43f4.1

AlphaFold DB , UniProt , Accession A0A060VZH5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene comp, Length 747 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	53	Low	46.5	Very low	233 Å²	233	150 Å²	150	100%	1.148	78%	0.778	S	S	*	*				0	37.8	0	-144.5	175.9	-162.8	0	0	112.3
2	L	47.6	Very low	45.9	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	75%	0.753	S	S	*	*			trans	-140.2	13.4	168.5	-131.6	96	0	0	0	111.7
3	W	42	Very low	46.1	Very low	233 Å²	233	140.5 Å²	140.5	88%	0.883	75%	0.745	S	S	*	*	S	Bend	trans	-115.7	-0.9	-177.3	-88.8	72.9	0	0	0	113.4
4	I	48.6	Very low	45.9	Very low	142 Å²	142	139.7 Å²	139.7	73%	0.728	76%	0.757	S	S	*	*	S	Bend	trans	-95.3	-6.6	175.5	-64.4	175.5	0	0	0	111.2
5	L	45.4	Very low	45.7	Very low	143 Å²	143	136.4 Å²	136.4	75%	0.749	75%	0.749	S	S	*	*	S	Bend	trans	-95.7	-9.2	-174.3	-135.8	85.2	0	0	0	115.1
6	V	49.8	Very low	45.6	Very low	104 Å²	104	138.1 Å²	138.1	63%	0.63	75%	0.75	S	S	*	*	S	Bend	trans	-104.7	-22.3	-178.9	-175.9	0	0	0	0	112.2	V8 I9	V6-V8 VanDerWaalsContact C-N 3.31Å; V6-V8 PolarHBondContact O-N 2.78Å; V6-I9 PolarHBondContact O-N 3.16Å
7	L	43.5	Very low	45.5	Very low	151 Å²	151	139.3 Å²	139.3	79%	0.791	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-6.5	178.1	-129.9	92.8	0	0	0	114.7
8	V	46.1	Very low	45.6	Very low	104 Å²	104	138.6 Å²	138.6	63%	0.63	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.1	171.3	-175	0	0	0	0	111.4	V6	V6-V8 VanDerWaalsContact C-N 3.31Å; V6-V8 PolarHBondContact O-N 2.78Å
9	I	48.8	Very low	45.5	Very low	113 Å²	113	134.4 Å²	134.4	58%	0.579	74%	0.741	S	S	*	*	S	Bend	trans	-94	-8.4	-173.2	-64.8	177.5	0	0	0	113.6	V6	V6-I9 PolarHBondContact O-N 3.16Å
10	S	43.2	Very low	45.7	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	74%	0.735	S	S	*	*	S	Bend	trans	-111.8	3.6	178.1	-59.3	0	0	0	0	115.8
11	L	43.4	Very low	45.9	Very low	167 Å²	167	132.3 Å²	132.3	87%	0.874	74%	0.736	S	S	*	*	S	Bend	trans	-114.3	25.4	176.4	-88	162.7	0	0	0	113.6
12	S	39.3	Very low	45.8	Very low	68 Å²	68	130.7 Å²	130.7	48%	0.476	72%	0.717	S	S	.	*	S	Bend	trans	-133.9	12	174.8	41	0	0	0	0	114.6
13	V	48.3	Very low	46	Very low	108 Å²	108	128 Å²	128	66%	0.655	70%	0.704	S	S	*	*	S	Bend	trans	-106.8	0	-175.6	-172.6	0	0	0	0	114.3
14	S	44.3	Very low	46.6	Very low	130 Å²	130	118.5 Å²	118.5	91%	0.909	68%	0.678	S	S	*	*	S	Bend	trans	-109.3	13.4	176.6	-53.9	0	0	0	0	114.8
15	S	42.2	Very low	47	Very low	90 Å²	90	117.9 Å²	117.9	63%	0.629	67%	0.672	S	S	*	*	S	Bend	trans	-116.5	8	176.4	47.2	0	0	0	0	114.4
16	E	44.1	Very low	47.8	Very low	164 Å²	164	115.4 Å²	115.4	77%	0.766	66%	0.659	S	S	*	*	S	Bend	trans	-105.6	4.1	-178.8	-84.9	-170.1	160.2	0	0	116
17	L	43.8	Very low	48.6	Very low	158 Å²	158	115 Å²	115	83%	0.827	65%	0.652	S	S	*	*	S	Bend	trans	-108.4	-4.4	175.9	-98.9	121.3	0	0	0	116.2
18	V	48.3	Very low	49.6	Very low	127 Å²	127	113.1 Å²	113.1	77%	0.77	64%	0.643	S	S	*	*	S	Bend	trans	-108.7	-8.9	177.1	-174.5	0	0	0	0	112.9
19	A	42.3	Very low	50.6	Low	59 Å²	59	114.5 Å²	114.5	49%	0.488	64%	0.642	S	S	.	*	S	Bend	trans	-84.4	-24.4	174.5	0	0	0	0	0	113.6
20	G	49.4	Very low	51.6	Low	60 Å²	60	113.3 Å²	113.3	62%	0.619	64%	0.636	S	S	*	*	H	α-helix	trans	-77.2	-19.3	-174.4	0	0	0	0	0	116.1
21	Q	50.6	Low	52.9	Low	164 Å²	164	114.9 Å²	114.9	77%	0.766	63%	0.63	S	S	*	*	H	α-helix	trans	-90.8	-29.5	-178.6	-102.3	173.6	-24	0	0	113.8
22	R	50.9	Low	54.2	Low	199 Å²	199	108.7 Å²	108.7	75%	0.751	61%	0.607	S	S	*	*	H	α-helix	trans	-79.3	-28.8	177.7	-94.1	-179.5	177.7	174.9	1.6	114	I26	R22-I26 WeakPolarHBondContact O-CG1 3.24Å
23	D	51	Low	55.7	Low	99 Å²	99	109.8 Å²	109.8	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-77.7	-30.2	178.9	-75.2	-16	0	0	0	112.9	I27	D23-I27 WeakPolarHBondContact O-CB 3.41Å; D23-I27 WeakPolarHBondContact O-CD1 3.37Å; D23-I27 WeakPolarHBondContact O-CG1 3.1Å; D23-I27 PolarHBondContact O-N 2.93Å
24	G	55.2	Low	56.9	Low	32 Å²	32	109.1 Å²	109.1	33%	0.33	60%	0.603	S	S	.	*	H	α-helix	trans	-68.1	-36.1	176.6	0	0	0	0	0	113.5	N28	G24-N28 WeakPolarHBondContact O-CB 3.12Å; G24-N28 PolarHBondContact O-N 3.41Å; G24-N28 PolarHBondContact O-ND2 3.4Å
25	E	58.1	Low	58.3	Low	130 Å²	130	109.3 Å²	109.3	61%	0.607	59%	0.59	S	S	*	*	H	α-helix	trans	-73.4	-38.5	-179.7	-158.5	168.2	-162.3	0	0	111.8	N28 Q29	E25-N28 PolarHBondContact O-N 2.92Å; E25-Q29 PolarHBondContact O-N 2.69Å
26	I	61.7	Low	59.8	Low	90 Å²	90	107.1 Å²	107.1	46%	0.462	58%	0.577	S	S	.	*	H	α-helix	trans	-67.4	-41.5	173.9	-64.4	171.3	0	0	0	110.9	R22 N28 Q29 I30	R22-I26 WeakPolarHBondContact O-CG1 3.24Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 3.5Å; I26-Q29 PolarHBondContact O-N 2.94Å; I26-I30 HydrophobicContact CG2-CD1 3.77Å; I26-I30 HydrophobicContact CG2-CG1 4.4Å; I26-I30 WeakPolarHBondContact O-CB 3.43Å; I26-I30 VanDerWaalsContact O-CG1 3.27Å; I26-I30 WeakPolarHBondContact O-CG1 3.3Å; I26-I30 PolarHBondContact O-N 3.03Å
27	I	65.2	Low	61.2	Low	97 Å²	97	104.9 Å²	104.9	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-64.6	-37.4	176.4	-70.6	169.6	0	0	0	111.5	D23 I30 K31	D23-I27 WeakPolarHBondContact O-CB 3.41Å; D23-I27 WeakPolarHBondContact O-CD1 3.37Å; D23-I27 WeakPolarHBondContact O-CG1 3.1Å; D23-I27 PolarHBondContact O-N 2.93Å; I27-I30 PolarHBondContact O-N 3.39Å; I27-K31 WeakPolarHBondContact O-CB 3.34Å; I27-K31 PolarHBondContact O-N 3.1Å
28	N	66.4	Low	62.7	Low	110 Å²	110	100 Å²	100	59%	0.588	55%	0.552	S	S	*	*	H	α-helix	trans	-69.5	-38.4	175.9	-78	-26.9	0	0	0	112.3	G24 E25 I26 K31 G32	G24-N28 WeakPolarHBondContact O-CB 3.12Å; G24-N28 PolarHBondContact O-N 3.41Å; G24-N28 PolarHBondContact O-ND2 3.4Å; E25-N28 PolarHBondContact O-N 2.92Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 3.5Å; N28-K31 PolarHBondContact O-N 3.22Å; N28-G32 PolarHBondContact O-N 3.46Å
29	Q	66.3	Low	64.1	Low	134 Å²	134	100.4 Å²	100.4	63%	0.626	55%	0.546	S	S	*	.	H	α-helix	trans	-66.1	-37.9	172	-77.9	-172.9	-11.8	0	0	112.6	E25 I26 G32 T33	E25-Q29 PolarHBondContact O-N 2.69Å; I26-Q29 PolarHBondContact O-N 2.94Å; Q29-G32 PolarHBondContact O-N 3.45Å; Q29-T33 PolarHBondContact O-N 2.9Å; Q29-T33 PolarHBondContact O-OG1 2.78Å
30	I	69.7	Low	65.6	Low	88 Å²	88	102.7 Å²	102.7	45%	0.451	55%	0.549	S	S	.	.	H	α-helix	trans	-68	-36.3	174.6	-69.1	170.3	0	0	0	111.2	I26 I27 T33 N34	I26-I30 HydrophobicContact CG2-CD1 3.77Å; I26-I30 HydrophobicContact CG2-CG1 4.4Å; I26-I30 WeakPolarHBondContact O-CB 3.43Å; I26-I30 VanDerWaalsContact O-CG1 3.27Å; I26-I30 WeakPolarHBondContact O-CG1 3.3Å; I26-I30 PolarHBondContact O-N 3.03Å; I27-I30 PolarHBondContact O-N 3.39Å; I30-T33 WeakPolarHBondContact CA-OG1 3.21Å; I30-T33 PolarHBondContact O-OG1 2.94Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.23Å; I30-N34 VanDerWaalsContact O-CB 3.26Å; I30-N34 WeakPolarHBondContact O-CB 3.43Å; I30-N34 VanDerWaalsContact O-CG 3.31Å; I30-N34 PolarHBondContact O-N 2.93Å; I30-N34 PolarHBondContact O-ND2 2.05Å
31	K	69.8	Low	66.9	Low	138 Å²	138	106.5 Å²	106.5	60%	0.6	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-44.5	171.8	-90.4	-178.4	175.8	174.6	0	112	I27 N28 N34 Q35	I27-K31 WeakPolarHBondContact O-CB 3.34Å; I27-K31 PolarHBondContact O-N 3.1Å; N28-K31 PolarHBondContact O-N 3.22Å; K31-N34 PolarHBondContact O-N 3.03Å; K31-Q35 WeakPolarHBondContact O-CB 3.39Å; K31-Q35 PolarHBondContact O-N 3.48Å
32	G	71.4	Confident	68.2	Low	38 Å²	38	103.1 Å²	103.1	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-43.2	178	0	0	0	0	0	112.9	N28 Q29 Q35 A36	N28-G32 PolarHBondContact O-N 3.46Å; Q29-G32 PolarHBondContact O-N 3.45Å; G32-Q35 PolarHBondContact O-N 3.25Å; G32-A36 PolarHBondContact O-N 2.95Å
33	T	71.6	Confident	69.3	Low	90 Å²	90	98.8 Å²	98.8	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-68.6	-37.4	175.8	43.8	0	0	0	0	112.6	Q29 I30 A36 L37	Q29-T33 PolarHBondContact O-N 2.9Å; Q29-T33 PolarHBondContact O-OG1 2.78Å; I30-T33 WeakPolarHBondContact CA-OG1 3.21Å; I30-T33 PolarHBondContact O-OG1 2.94Å; T33-A36 PolarHBondContact O-N 2.95Å; T33-L37 WeakPolarHBondContact O-CB 3.38Å; T33-L37 PolarHBondContact O-N 3.49Å
34	N	71.6	Confident	70.3	Confident	94 Å²	94	98.9 Å²	98.9	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-68	-33.5	173.3	-80.6	-44.2	0	0	0	113.1	I30 K31 L37 A38	I30-N34 WeakPolarHBondContact CG2-ND2 3.23Å; I30-N34 VanDerWaalsContact O-CB 3.26Å; I30-N34 WeakPolarHBondContact O-CB 3.43Å; I30-N34 VanDerWaalsContact O-CG 3.31Å; I30-N34 PolarHBondContact O-N 2.93Å; I30-N34 PolarHBondContact O-ND2 2.05Å; K31-N34 PolarHBondContact O-N 3.03Å; N34-L37 PolarHBondContact O-N 2.96Å; N34-A38 WeakPolarHBondContact O-CB 3.03Å; N34-A38 PolarHBondContact O-N 3.03Å
35	Q	75	Confident	71.2	Confident	134 Å²	134	102.5 Å²	102.5	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-65.9	-46.7	172.1	-105	175.6	-39.4	0	0	111.7	K31 G32 L37 A38 E39	K31-Q35 WeakPolarHBondContact O-CB 3.39Å; K31-Q35 PolarHBondContact O-N 3.48Å; G32-Q35 PolarHBondContact O-N 3.25Å; Q35-L37 VanDerWaalsContact C-N 3.29Å; Q35-L37 PolarHBondContact O-N 3.46Å; Q35-A38 WeakPolarHBondContact O-CB 3.21Å; Q35-A38 PolarHBondContact O-N 3.42Å; Q35-A38 VanDerWaalsContact O-N 3.12Å; Q35-E39 PolarHBondContact O-N 2.03Å
36	A	73.2	Confident	71.8	Confident	45 Å²	45	102 Å²	102	37%	0.372	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-38.2	175.3	0	0	0	0	0	112	G32 T33 A38 E39 I40	G32-A36 PolarHBondContact O-N 2.95Å; T33-A36 PolarHBondContact O-N 2.95Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A36-A38 PolarHBondContact O-N 3.42Å; A36-E39 PolarHBondContact O-N 2.96Å; A36-I40 VanDerWaalsContact O-CG1 3.28Å; A36-I40 WeakPolarHBondContact O-CG1 3.39Å; A36-I40 PolarHBondContact O-N 2.95Å
37	L	74.1	Confident	71.8	Confident	117 Å²	117	103.4 Å²	103.4	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-67.6	-33.7	176	-154.1	80.3	0	0	0	112.3	T33 N34 Q35 K41	T33-L37 WeakPolarHBondContact O-CB 3.38Å; T33-L37 PolarHBondContact O-N 3.49Å; N34-L37 PolarHBondContact O-N 2.96Å; Q35-L37 VanDerWaalsContact C-N 3.29Å; Q35-L37 PolarHBondContact O-N 3.46Å; L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 PolarHBondContact O-N 3.33Å
38	A	74.2	Confident	72	Confident	55 Å²	55	103.5 Å²	103.5	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-70.2	-39.9	174.8	0	0	0	0	0	112.1	N34 Q35 A36 K41 E42	N34-A38 WeakPolarHBondContact O-CB 3.03Å; N34-A38 PolarHBondContact O-N 3.03Å; Q35-A38 WeakPolarHBondContact O-CB 3.21Å; Q35-A38 PolarHBondContact O-N 3.42Å; Q35-A38 VanDerWaalsContact O-N 3.12Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A36-A38 PolarHBondContact O-N 3.42Å; A38-K41 PolarHBondContact O-N 2.95Å; A38-E42 PolarHBondContact O-N 3.48Å
39	E	78.6	Confident	71.8	Confident	135 Å²	135	105.2 Å²	105.2	63%	0.631	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-43.1	175	-74	-179.4	174.5	0	0	112	Q35 A36 K41 E42 L43	Q35-E39 PolarHBondContact O-N 2.03Å; A36-E39 PolarHBondContact O-N 2.96Å; E39-K41 VanDerWaalsContact C-N 3.28Å; E39-K41 PolarHBondContact O-N 2.88Å; E39-E42 PolarHBondContact O-N 3.4Å; E39-L43 WeakPolarHBondContact O-CG 3.27Å; E39-L43 PolarHBondContact O-N 3.45Å
40	I	73.5	Confident	71.8	Confident	107 Å²	107	105.1 Å²	105.1	55%	0.549	54%	0.537	S	S	.	.	H	α-helix	trans	-62.7	-37.1	174.5	-68.8	168.1	0	0	0	110.9	A36 L43 L44	A36-I40 VanDerWaalsContact O-CG1 3.28Å; A36-I40 WeakPolarHBondContact O-CG1 3.39Å; A36-I40 PolarHBondContact O-N 2.95Å; I40-L43 PolarHBondContact O-N 3.24Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 PolarHBondContact O-N 3.33Å
41	K	76.1	Confident	71.5	Confident	140 Å²	140	105.7 Å²	105.7	61%	0.609	54%	0.54	S	S	*	.	H	α-helix	trans	-67.7	-36.3	177.5	-170.6	177.9	-179	179.9	0	112.7	L37 A38 E39 K45	L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 PolarHBondContact O-N 3.33Å; A38-K41 PolarHBondContact O-N 2.95Å; E39-K41 VanDerWaalsContact C-N 3.28Å; E39-K41 PolarHBondContact O-N 2.88Å; K41-K45 PolarHBondContact O-N 3.45Å; K41-K45 VanDerWaalsContact O-N 3.09Å
42	E	77.8	Confident	71.2	Confident	94 Å²	94	102.4 Å²	102.4	44%	0.439	53%	0.531	S	S	.	.	H	α-helix	trans	-75.2	-35.6	174.8	-76.3	-54.9	147.6	0	0	112.8	A38 E39 L44 K45 Q46	A38-E42 PolarHBondContact O-N 3.48Å; E39-E42 PolarHBondContact O-N 3.4Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.39Å; E42-K45 WeakPolarHBondContact O-CB 2.97Å; E42-K45 PolarHBondContact O-N 2.98Å; E42-K45 WeakPolarHBondContact OE1-CD 3.24Å; E42-K45 IonicContact OE1-NZ 3.58Å; E42-K45 PolarHBondContact OE1-NZ 3.05Å; E42-K45 WeakPolarHBondContact OE2-CD 3.48Å; E42-K45 IonicContact OE2-NZ 3.73Å; E42-Q46 PolarHBondContact O-N 2.8Å
43	L	74.6	Confident	70.7	Confident	108 Å²	108	107.9 Å²	107.9	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-61.6	-39.5	169.9	-75.8	167.1	0	0	0	112	E39 I40 Q46 Q47	E39-L43 WeakPolarHBondContact O-CG 3.27Å; E39-L43 PolarHBondContact O-N 3.45Å; I40-L43 PolarHBondContact O-N 3.24Å; L43-Q46 PolarHBondContact O-N 3.09Å; L43-Q47 PolarHBondContact O-N 2.97Å
44	L	71.6	Confident	70	Confident	100 Å²	100	109.2 Å²	109.2	52%	0.524	55%	0.547	S	S	.	.	H	α-helix	trans	-68.1	-36	176	-156.7	82.8	0	0	0	112.1	I40 E42 Q47 I48	I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 PolarHBondContact O-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.39Å; L44-Q47 PolarHBondContact O-N 3.22Å; L44-I48 HydrophobicContact CD2-CD1 4.46Å; L44-I48 HydrophobicContact CG-CD1 4.37Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.3Å; L44-I48 PolarHBondContact O-N 3.27Å
45	K	74	Confident	69.2	Low	108 Å²	108	111.8 Å²	111.8	47%	0.47	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-41	173.3	-100.3	178.7	178	175.2	0	112.3	K41 E42 I48 Q49	K41-K45 PolarHBondContact O-N 3.45Å; K41-K45 VanDerWaalsContact O-N 3.09Å; E42-K45 WeakPolarHBondContact O-CB 2.97Å; E42-K45 PolarHBondContact O-N 2.98Å; E42-K45 WeakPolarHBondContact OE1-CD 3.24Å; E42-K45 IonicContact OE1-NZ 3.58Å; E42-K45 PolarHBondContact OE1-NZ 3.05Å; E42-K45 WeakPolarHBondContact OE2-CD 3.48Å; E42-K45 IonicContact OE2-NZ 3.73Å; K45-I48 PolarHBondContact O-N 3.05Å; K45-Q49 PolarHBondContact O-N 2.87Å
46	Q	71.6	Confident	68.1	Low	119 Å²	119	110 Å²	110	56%	0.556	55%	0.549	S	S	*	.	H	α-helix	trans	-63.5	-42.9	175.1	-79.3	-177.2	-18.8	0	0	111.4	E42 L43 I48 Q49 E50	E42-Q46 PolarHBondContact O-N 2.8Å; L43-Q46 PolarHBondContact O-N 3.09Å; Q46-I48 PolarHBondContact O-N 3.14Å; Q46-Q49 PolarHBondContact O-N 2.9Å; Q46-E50 PolarHBondContact O-N 3.27Å
47	Q	61.4	Low	67.2	Low	121 Å²	121	112.5 Å²	112.5	57%	0.565	56%	0.56	S	S	*	*	H	α-helix	trans	-63.9	-37.4	174	-79.5	-163.4	-20.7	0	0	113.3	L43 L44 E50 I51	L43-Q47 PolarHBondContact O-N 2.97Å; L44-Q47 PolarHBondContact O-N 3.22Å; Q47-E50 PolarHBondContact O-N 3.39Å; Q47-I51 WeakPolarHBondContact O-CB 3.45Å; Q47-I51 VanDerWaalsContact O-CG1 3.27Å; Q47-I51 WeakPolarHBondContact O-CG1 3.32Å; Q47-I51 PolarHBondContact O-N 3.4Å
48	I	69.4	Low	66.2	Low	98 Å²	98	112.8 Å²	112.8	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-68.4	-36.9	175.9	-69.4	166	0	0	0	111	L44 K45 Q46 I51 V52	L44-I48 HydrophobicContact CD2-CD1 4.46Å; L44-I48 HydrophobicContact CG-CD1 4.37Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.3Å; L44-I48 PolarHBondContact O-N 3.27Å; K45-I48 PolarHBondContact O-N 3.05Å; Q46-I48 PolarHBondContact O-N 3.14Å; I48-I51 PolarHBondContact O-N 2.97Å; I48-V52 HydrophobicContact CG2-CG2 4.29Å; I48-V52 WeakPolarHBondContact O-CB 3.44Å; I48-V52 WeakPolarHBondContact O-CG2 3.25Å; I48-V52 PolarHBondContact O-N 3.33Å
49	Q	63.3	Low	65	Low	146 Å²	146	117 Å²	117	68%	0.682	58%	0.578	S	S	*	*	H	α-helix	trans	-65.9	-40.3	174.8	-85.4	-174.9	-24.7	0	0	112.6	K45 Q46 V52 F53	K45-Q49 PolarHBondContact O-N 2.87Å; Q46-Q49 PolarHBondContact O-N 2.9Å; Q49-V52 PolarHBondContact O-N 2.98Å; Q49-F53 VanDerWaalsContact O-CB 3.3Å; Q49-F53 WeakPolarHBondContact O-CB 3.15Å; Q49-F53 PolarHBondContact O-N 3.32Å
50	E	66.3	Low	63.6	Low	133 Å²	133	119 Å²	119	62%	0.621	59%	0.587	S	S	*	*	H	α-helix	trans	-66.3	-40.2	174.8	-75	-175	160.6	0	0	112.3	Q46 Q47 F53 L54	Q46-E50 PolarHBondContact O-N 3.27Å; Q47-E50 PolarHBondContact O-N 3.39Å; E50-F53 PolarHBondContact O-N 3.05Å; E50-L54 WeakPolarHBondContact O-CB 3.48Å; E50-L54 PolarHBondContact O-N 3.23Å
51	I	63.1	Low	62.1	Low	99 Å²	99	119.9 Å²	119.9	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-68.5	-34.9	177.4	-70.5	168.7	0	0	0	111.8	Q47 I48 K55	Q47-I51 WeakPolarHBondContact O-CB 3.45Å; Q47-I51 VanDerWaalsContact O-CG1 3.27Å; Q47-I51 WeakPolarHBondContact O-CG1 3.32Å; Q47-I51 PolarHBondContact O-N 3.4Å; I48-I51 PolarHBondContact O-N 2.97Å; I51-K55 WeakPolarHBondContact O-CB 3.09Å; I51-K55 PolarHBondContact O-N 2.95Å
52	V	62.9	Low	60.2	Low	69 Å²	69	122.8 Å²	122.8	42%	0.418	62%	0.617	S	S	.	*	H	α-helix	trans	-75.3	-35	175.9	172	0	0	0	0	111.6	I48 Q49 K55 N56	I48-V52 HydrophobicContact CG2-CG2 4.29Å; I48-V52 WeakPolarHBondContact O-CB 3.44Å; I48-V52 WeakPolarHBondContact O-CG2 3.25Å; I48-V52 PolarHBondContact O-N 3.33Å; Q49-V52 PolarHBondContact O-N 2.98Å; V52-K55 PolarHBondContact O-N 3.33Å; V52-N56 WeakPolarHBondContact O-CB 3.4Å; V52-N56 VanDerWaalsContact O-CG 3.25Å; V52-N56 PolarHBondContact O-N 3.05Å; V52-N56 PolarHBondContact O-ND2 3.36Å
53	F	61.3	Low	58.3	Low	153 Å²	153	122.9 Å²	122.9	67%	0.671	63%	0.634	S	S	*	*	H	α-helix	trans	-64.9	-43.5	171.8	-176.3	-102.4	0	0	0	111.6	Q49 E50 N56 T57	Q49-F53 VanDerWaalsContact O-CB 3.3Å; Q49-F53 WeakPolarHBondContact O-CB 3.15Å; Q49-F53 PolarHBondContact O-N 3.32Å; E50-F53 PolarHBondContact O-N 3.05Å; F53-N56 PolarHBondContact O-N 3.23Å; F53-T57 PolarHBondContact O-N 2.04Å; F53-T57 VanDerWaalsContact O-N 3.1Å; F53-T57 PolarHBondContact O-OG1 3.39Å
54	L	55.8	Low	56.5	Low	118 Å²	118	124.4 Å²	124.4	62%	0.618	65%	0.652	S	S	*	*	H	α-helix	trans	-64.7	-39.8	173.2	-82	156.4	0	0	0	112.6	E50 V58	E50-L54 WeakPolarHBondContact O-CB 3.48Å; E50-L54 PolarHBondContact O-N 3.23Å; L54-V58 WeakPolarHBondContact O-CG2 3.43Å; L54-V58 PolarHBondContact O-N 3Å
55	K	54.8	Low	54.9	Low	148 Å²	148	123.1 Å²	123.1	64%	0.643	66%	0.663	S	S	*	*	H	α-helix	trans	-66.3	-36.2	174.9	-98.3	-174.5	170.4	-177.5	0	113.5	I51 V52	I51-K55 WeakPolarHBondContact O-CB 3.09Å; I51-K55 PolarHBondContact O-N 2.95Å; V52-K55 PolarHBondContact O-N 3.33Å
56	N	53.6	Low	53.1	Low	97 Å²	97	127.3 Å²	127.3	52%	0.519	69%	0.687	S	S	.	*	H	α-helix	trans	-80.9	-18.2	-179	-71.8	-16.2	0	0	0	113.2	V52 F53	V52-N56 WeakPolarHBondContact O-CB 3.4Å; V52-N56 VanDerWaalsContact O-CG 3.25Å; V52-N56 PolarHBondContact O-N 3.05Å; V52-N56 PolarHBondContact O-ND2 3.36Å; F53-N56 PolarHBondContact O-N 3.23Å
57	T	53.6	Low	51.8	Low	97 Å²	97	131.3 Å²	131.3	60%	0.595	71%	0.706	S	S	*	*	H	α-helix	trans	-83.2	-16.4	173.7	-41.8	0	0	0	0	112.4	F53	F53-T57 PolarHBondContact O-N 2.04Å; F53-T57 VanDerWaalsContact O-N 3.1Å; F53-T57 PolarHBondContact O-OG1 3.39Å
58	V	53	Low	50.8	Low	124 Å²	124	128.9 Å²	128.9	75%	0.752	71%	0.713	S	S	*	*	S	Bend	trans	-95.2	-8.4	178.2	174.8	0	0	0	0	112.3	L54	L54-V58 WeakPolarHBondContact O-CG2 3.43Å; L54-V58 PolarHBondContact O-N 3Å
59	M	48	Very low	49.8	Very low	143 Å²	143	130.4 Å²	130.4	70%	0.704	73%	0.729	S	S	*	*	S	Bend	trans	-100.3	23	-175.9	-118.4	-171.5	-45.3	0	0	114.4
60	E	49.8	Very low	49.2	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	74%	0.735	S	S	*	*	S	Bend	trans	-133.3	37.4	-178.8	-125.1	-172.1	-155.2	0	0	114.9
61	C	41.6	Very low	48.4	Very low	126 Å²	126	134.5 Å²	134.5	85%	0.851	75%	0.749	S	S	*	*			trans	-150.1	75.7	164.1	-101.3	0	0	0	0	113.6
62	E	36.8	Very low	47.9	Very low	201 Å²	201	134.3 Å²	134.3	94%	0.939	75%	0.754	S	S	*	*			trans	-142	100.6	148.3	-82.3	-164	150.7	0	0	110.7
63	A	38.8	Very low	47.9	Very low	96 Å²	96	134.2 Å²	134.2	79%	0.793	76%	0.757	S	S	*	*			trans	-147.8	92.1	162.7	0	0	0	0	0	111.3
64	C	35.6	Very low	48	Very low	140 Å²	140	128.2 Å²	128.2	95%	0.946	73%	0.733	S	S	*	*			trans	50.1	116.8	150.1	-65.6	0	0	0	0	123
65	G	39	Very low	48.7	Very low	73 Å²	73	129.2 Å²	129.2	75%	0.753	74%	0.739	S	S	*	*				111.7	114.4	114.5	0	0	0	0	0	119.7
66	M	34.3	Very low	49	Very low	197 Å²	197	127.7 Å²	127.7	97%	0.97	74%	0.744	S	S	*	*			trans	144.7	139.9	135.3	-75	-69.6	-122.8	0	0	113.6
67	Q	44.3	Very low	49.8	Very low	203 Å²	203	126.7 Å²	126.7	95%	0.949	74%	0.739	S	S	*	*			trans	-71.1	147.1	-169.4	-66.8	169.1	-18.4	0	0	115.7
68	G	40.7	Very low	50.7	Low	69 Å²	69	125.2 Å²	125.2	71%	0.711	73%	0.731	S	S	*	*			trans	176.7	150.2	162.5	0	0	0	0	0	112.9
69	P	48.3	Very low	51.8	Low	130 Å²	130	119.8 Å²	119.8	84%	0.844	70%	0.699	S	S	*	*			trans	-83.3	171.9	-160.7	35.9	-36.2	0	0	0	115.8
70	P	51.7	Low	53.3	Low	124 Å²	124	114.9 Å²	114.9	81%	0.805	67%	0.674	S	S	*	*			trans	-96.3	163	-138.6	38.6	-37	0	0	0	116.7
71	R	48.8	Very low	54.5	Low	241 Å²	241	111.6 Å²	111.6	91%	0.909	67%	0.668	S	S	*	*			trans	-140.8	139.3	158.5	-66.1	-173	-178.1	-165.8	0.9	110.2
72	P	54	Low	56	Low	95 Å²	95	109.3 Å²	109.3	62%	0.617	67%	0.665	S	S	*	*			trans	-79.8	136.6	-178	30.5	-31.2	0	0	0	112.4	I92	P72-I92 HydrophobicContact CB-CG1 4.43Å
73	S	61.4	Low	58.1	Low	68 Å²	68	100 Å²	100	48%	0.476	62%	0.622	S	S	.	*			trans	-140.8	147.8	176.5	166.2	0	0	0	0	110.8	D75 E87 I92	S73-D75 PolarHBondContact O-N 3.44Å; S73-D75 VanDerWaalsContact O-N 3.16Å; S73-E87 VanDerWaalsContact CA-OE1 3.24Å; S73-E87 WeakPolarHBondContact CA-OE1 3.37Å; S73-I92 WeakPolarHBondContact O-CD1 3.3Å
74	C	64	Low	60	Low	27 Å²	27	103.2 Å²	103.2	18%	0.182	62%	0.619	C	S	.	*	S	Bend	trans	-73.5	16.3	178	-86.7	0	0	0	0	114.7	P76 N77 C85 E87	C74-P76 CarbonylContact O-C 3.54Å; C74-N77 WeakPolarHBondContact O-CA 3.43Å; C74-N77 PolarHBondContact O-N 3.12Å; C74-C85 HydrophobicContact CB-CB 3.89Å; C74-C85 WeakPolarHBondContact CB-SG 3.28Å; C74-C85 WeakPolarHBondContact SG-CB 3Å; C74-C85 CovalentContact SG-SG 2.05Å; C74-C85 PolarHBondContact SG-SG 3.43Å; C74-E87 HydrophobicContact CB-CG 4.14Å; C74-E87 PolarHBondContact N-OE1 3.06Å; C74-E87 VanDerWaalsContact SG-CG 3.57Å
75	D	70	Confident	61.9	Low	138 Å²	138	97.8 Å²	97.8	74%	0.738	58%	0.582	S	S	*	*	S	Bend	trans	-132.7	114.9	179.3	-154.6	-7.7	0	0	0	110.7	S73	S73-D75 PolarHBondContact O-N 3.44Å; S73-D75 VanDerWaalsContact O-N 3.16Å
76	P	61.3	Low	63.7	Low	116 Å²	116	98.4 Å²	98.4	75%	0.753	57%	0.567	S	S	*	*	S	Bend	cis	-70.4	141.6	1	27.8	-33	0	0	0	113.3	C74 P78	C74-P76 CarbonylContact O-C 3.54Å; P76-P78 VanDerWaalsContact O-CD 3.23Å; P76-P78 WeakPolarHBondContact O-CD 3.49Å; P76-P78 VanDerWaalsContact O-N 3.17Å
77	N	70.8	Confident	65.2	Low	77 Å²	77	94.3 Å²	94.3	41%	0.412	55%	0.545	S	S	.	.			trans	-60.1	113.6	-175	-176.9	-1.3	0	0	0	111.7	C74 C79 V83 C85	C74-N77 WeakPolarHBondContact O-CA 3.43Å; C74-N77 PolarHBondContact O-N 3.12Å; N77-C79 PolarHBondContact O-N 3.37Å; N77-C79 VanDerWaalsContact OD1-CB 3.24Å; N77-C79 WeakPolarHBondContact OD1-CB 3.06Å; N77-C79 PolarHBondContact OD1-N 3.37Å; N77-C79 PolarHBondContact OD1-SG 3.49Å; N77-C79 VanDerWaalsContact OD1-SG 3.4Å; N77-V83 PolarHBondContact ND2-O 2.99Å; N77-C85 WeakPolarHBondContact OD1-CB 3.47Å
78	P	72.4	Confident	66.3	Low	65 Å²	65	88 Å²	88	42%	0.422	52%	0.521	S	S	.	.			trans	-80	-0.5	-178.1	33	-34.9	0	0	0	113.9	P76 I92	P76-P78 VanDerWaalsContact O-CD 3.23Å; P76-P78 WeakPolarHBondContact O-CD 3.49Å; P76-P78 VanDerWaalsContact O-N 3.17Å; P78-I92 HydrophobicContact CG-CD1 3.98Å; P78-I92 HydrophobicContact CG-CG2 3.84Å
79	C	76.7	Confident	67.3	Low	11 Å²	11	90.6 Å²	90.6	7%	0.074	54%	0.535	C	S	.	.	S	Bend	trans	-91	162.3	179.6	-49.4	0	0	0	0	112.4	N77 V83 C94	N77-C79 PolarHBondContact O-N 3.37Å; N77-C79 VanDerWaalsContact OD1-CB 3.24Å; N77-C79 WeakPolarHBondContact OD1-CB 3.06Å; N77-C79 PolarHBondContact OD1-N 3.37Å; N77-C79 PolarHBondContact OD1-SG 3.49Å; N77-C79 VanDerWaalsContact OD1-SG 3.4Å; C79-V83 HydrophobicContact CB-CB 4.05Å; C79-V83 HydrophobicContact CB-CG1 3.98Å; C79-C94 WeakPolarHBondContact CA-SG 2.91Å; C79-C94 HydrophobicContact CB-CB 3.72Å; C79-C94 WeakPolarHBondContact CB-SG 3.33Å; C79-C94 WeakPolarHBondContact SG-CA 3.39Å; C79-C94 WeakPolarHBondContact SG-CB 3.33Å; C79-C94 CovalentContact SG-SG 2.03Å; C79-C94 PolarHBondContact SG-SG 3.39Å
80	H	78.6	Confident	67.8	Low	40 Å²	40	88.4 Å²	88.4	19%	0.185	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-59	146.1	178.8	-174.7	-86.3	0	0	0	111.8	G82 V83 S105 C108	H80-G82 PolarHBondContact O-N 3.38Å; H80-V83 HydrophobicContact CB-CG2 3.9Å; H80-V83 VanDerWaalsContact O-CB 3.3Å; H80-V83 WeakPolarHBondContact O-CB 3.49Å; H80-V83 PolarHBondContact O-N 2.91Å; H80-S105 PolarHBondContact N-O 3.36Å; H80-C108 HydrophobicContact CB-CB 4.26Å; H80-C108 PolarHBondContact CD2-N 2.92Å; H80-C108 PolarHBondContact NE2-O 3.22Å
81	P	75.3	Confident	68.6	Low	106 Å²	106	83.5 Å²	83.5	69%	0.688	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	126.4	174.6	-28.4	35.1	0	0	0	112.1
82	G	73.3	Confident	69.5	Low	78 Å²	78	75.2 Å²	75.2	80%	0.804	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-6.4	-175.3	0	0	0	0	0	116	H80	H80-G82 PolarHBondContact O-N 3.38Å
83	V	80.3	Confident	70.5	Confident	6 Å²	6	77.4 Å²	77.4	4%	0.036	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-92.9	131.2	176.5	177.6	0	0	0	0	111.5	N77 C79 H80 C85 C94 G95 P98	N77-V83 PolarHBondContact ND2-O 2.99Å; C79-V83 HydrophobicContact CB-CB 4.05Å; C79-V83 HydrophobicContact CB-CG1 3.98Å; H80-V83 HydrophobicContact CB-CG2 3.9Å; H80-V83 VanDerWaalsContact O-CB 3.3Å; H80-V83 WeakPolarHBondContact O-CB 3.49Å; H80-V83 PolarHBondContact O-N 2.91Å; V83-C85 PolarHBondContact O-N 2.93Å; V83-C94 HydrophobicContact CG1-CB 4.19Å; V83-G95 WeakPolarHBondContact CG1-O 3.47Å; V83-P98 HydrophobicContact CG2-CG 4.23Å
84	K	80	Confident	71.3	Confident	164 Å²	164	75.4 Å²	75.4	71%	0.713	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-71.1	121.5	178.8	-168.4	174.6	-176.3	176.6	0	111.3	G95	K84-G95 PolarHBondContact O-N 3.49Å
85	C	75.6	Confident	72	Confident	25 Å²	25	74.7 Å²	74.7	17%	0.169	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133	172.6	-167.9	0	0	0	0	110.4	C74 N77 V83 I92	C74-C85 HydrophobicContact CB-CB 3.89Å; C74-C85 WeakPolarHBondContact CB-SG 3.28Å; C74-C85 WeakPolarHBondContact SG-CB 3Å; C74-C85 CovalentContact SG-SG 2.05Å; C74-C85 PolarHBondContact SG-SG 3.43Å; N77-C85 WeakPolarHBondContact OD1-CB 3.47Å; V83-C85 PolarHBondContact O-N 2.93Å; C85-I92 WeakPolarHBondContact SG-CG2 3.26Å
86	I	76.4	Confident	72.4	Confident	86 Å²	86	73.5 Å²	73.5	44%	0.441	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.2	178.4	-52.2	174.4	0	0	0	108.8	T88 K93	I86-T88 HydrophobicContact CG2-CG2 4.33Å; I86-K93 PolarHBondContact N-O 3.31Å; I86-K93 PolarHBondContact O-N 2.97Å
87	E	65.9	Low	73.3	Confident	112 Å²	112	69 Å²	69	52%	0.523	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130	173.1	-64.5	-178	179.3	0	0	110.4	S73 C74	S73-E87 VanDerWaalsContact CA-OE1 3.24Å; S73-E87 WeakPolarHBondContact CA-OE1 3.37Å; C74-E87 HydrophobicContact CB-CG 4.14Å; C74-E87 PolarHBondContact N-OE1 3.06Å; C74-E87 VanDerWaalsContact SG-CG 3.57Å
88	T	67.2	Low	73.9	Confident	71 Å²	71	67.3 Å²	67.3	44%	0.436	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.2	175.6	62.6	0	0	0	0	110.7	I86 G90 G91	I86-T88 HydrophobicContact CG2-CG2 4.33Å; T88-G90 PolarHBondContact O-N 2.89Å; T88-G91 PolarHBondContact N-O 2.79Å; T88-G91 PolarHBondContact O-N 2.82Å; T88-G91 VanDerWaalsContact O-O 3.12Å; T88-G91 PolarHBondContact OG1-O 2.88Å
89	A	60.6	Low	74.2	Confident	123 Å²	123	71.6 Å²	71.6	100%	1.017	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14	-178.1	0	0	0	0	0	114.5
90	G	59.5	Low	74.2	Confident	83 Å²	83	71.5 Å²	71.5	86%	0.856	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	7.5	175.8	0	0	0	0	0	115.4	T88	T88-G90 PolarHBondContact O-N 2.89Å
91	G	67.8	Low	74.4	Confident	22 Å²	22	71.3 Å²	71.3	23%	0.227	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	123.7	-172.4	-177.8	0	0	0	0	0	113.7	T88	T88-G91 PolarHBondContact N-O 2.79Å; T88-G91 PolarHBondContact O-N 2.82Å; T88-G91 VanDerWaalsContact O-O 3.12Å; T88-G91 PolarHBondContact OG1-O 2.88Å
92	I	68.6	Low	74.7	Confident	66 Å²	66	70.2 Å²	70.2	34%	0.338	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.1	-177.4	-58.3	171.8	0	0	0	109.9	P72 S73 P78 C85	P72-I92 HydrophobicContact CB-CG1 4.43Å; S73-I92 WeakPolarHBondContact O-CD1 3.3Å; P78-I92 HydrophobicContact CG-CD1 3.98Å; P78-I92 HydrophobicContact CG-CG2 3.84Å; C85-I92 WeakPolarHBondContact SG-CG2 3.26Å
93	K	75.6	Confident	75	Confident	142 Å²	142	68.7 Å²	68.7	62%	0.617	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.3	174.4	-167.8	176.2	-178.4	-179.4	0	110.2	I86	I86-K93 PolarHBondContact N-O 3.31Å; I86-K93 PolarHBondContact O-N 2.97Å
94	C	78.1	Confident	74.7	Confident	25 Å²	25	73.8 Å²	73.8	17%	0.169	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.9	172.9	-61.5	0	0	0	0	110.7	C79 V83	C79-C94 WeakPolarHBondContact CA-SG 2.91Å; C79-C94 HydrophobicContact CB-CB 3.72Å; C79-C94 WeakPolarHBondContact CB-SG 3.33Å; C79-C94 WeakPolarHBondContact SG-CA 3.39Å; C79-C94 WeakPolarHBondContact SG-CB 3.33Å; C79-C94 CovalentContact SG-SG 2.03Å; C79-C94 PolarHBondContact SG-SG 3.39Å; V83-C94 HydrophobicContact CG1-CB 4.19Å
95	G	77.3	Confident	74.3	Confident	12 Å²	12	67.5 Å²	67.5	12%	0.124	42%	0.422	C	S	.	.			trans	-66.4	175.1	170	0	0	0	0	0	112.8	V83 K84 S105	V83-G95 WeakPolarHBondContact CG1-O 3.47Å; K84-G95 PolarHBondContact O-N 3.49Å; G95-S105 WeakPolarHBondContact O-CB 3.22Å; G95-S105 PolarHBondContact O-OG 3.05Å
96	P	80.3	Confident	74	Confident	113 Å²	113	69.7 Å²	69.7	73%	0.734	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-62.2	157.6	175.9	28.6	-34.7	0	0	0	111.6
97	C	80	Confident	74	Confident	22 Å²	22	74.6 Å²	74.6	15%	0.149	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-56.8	151.5	172.3	-72.3	0	0	0	0	111.4	M101 C108	C97-M101 HydrophobicContact CB-CB 4.19Å; C97-M101 WeakPolarHBondContact CB-O 3.45Å; C97-C108 WeakPolarHBondContact CA-SG 3.49Å; C97-C108 HydrophobicContact CB-CB 3.8Å; C97-C108 WeakPolarHBondContact CB-SG 3.27Å; C97-C108 WeakPolarHBondContact SG-CB 3.28Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.18Å
98	P	81.6	Confident	74.7	Confident	41 Å²	41	69.8 Å²	69.8	27%	0.266	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-56.9	155	175	-21.1	34.7	0	0	0	111.1	V83 G100 M101	V83-P98 HydrophobicContact CG2-CG 4.23Å; P98-G100 PolarHBondContact O-N 2.89Å; P98-M101 HydrophobicContact CG-SD 4.47Å; P98-M101 PolarHBondContact O-N 3.45Å
99	E	78.8	Confident	75.3	Confident	155 Å²	155	72 Å²	72	72%	0.724	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	139.3	174.6	-69.1	-166.6	160	0	0	110.5	M101 V149	E99-M101 VanDerWaalsContact C-N 3.33Å; E99-V149 CarbonylContact C-O 3.51Å; E99-V149 WeakPolarHBondContact O-CG1 2.99Å
100	G	76.8	Confident	76.5	Confident	10 Å²	10	68.4 Å²	68.4	10%	0.103	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	2.2	-174.3	0	0	0	0	0	114.6	P98 V111 V149	P98-G100 PolarHBondContact O-N 2.89Å; G100-V111 WeakPolarHBondContact O-CB 3.38Å; G100-V111 WeakPolarHBondContact O-CG2 3.46Å; G100-V111 PolarHBondContact O-N 3.39Å; G100-V149 WeakPolarHBondContact CA-O 3.4Å; G100-V149 PolarHBondContact N-O 3.44Å
101	M	83.4	Confident	77.7	Confident	35 Å²	35	65.9 Å²	65.9	17%	0.172	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.6	179	-58.9	-171	162.1	0	0	112.9	C97 P98 E99 C108 M109 S129 P130	C97-M101 HydrophobicContact CB-CB 4.19Å; C97-M101 WeakPolarHBondContact CB-O 3.45Å; P98-M101 HydrophobicContact CG-SD 4.47Å; P98-M101 PolarHBondContact O-N 3.45Å; E99-M101 VanDerWaalsContact C-N 3.33Å; M101-C108 HydrophobicContact CB-CB 4Å; M101-C108 HydrophobicContact SD-CB 4.13Å; M101-M109 CarbonylContact C-O 3.48Å; M101-M109 VanDerWaalsContact CA-O 3.22Å; M101-M109 WeakPolarHBondContact CA-O 3.48Å; M101-M109 WeakPolarHBondContact CB-O 3.33Å; M101-S129 WeakPolarHBondContact CE-OG 3.45Å; M101-P130 HydrophobicContact CE-CB 4.15Å
102	V	81.1	Confident	78.6	Confident	83 Å²	83	68.4 Å²	68.4	50%	0.503	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.4	176.2	-60.9	0	0	0	0	110.5	M109 V111	V102-M109 PolarHBondContact N-O 2.77Å; V102-M109 PolarHBondContact O-N 3.07Å; V102-V111 HydrophobicContact CB-CG2 4.12Å; V102-V111 HydrophobicContact CG1-CG2 3.3Å; V102-V111 HydrophobicContact CG2-CG2 4.09Å
103	G	80.1	Confident	79.7	Confident	46 Å²	46	65.2 Å²	65.2	47%	0.474	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.6	-175.5	178.2	0	0	0	0	0	114.2	S105 R107	G103-S105 PolarHBondContact O-N 2.92Å; G103-R107 WeakPolarHBondContact CA-O 3.41Å
104	N	74.5	Confident	80.3	Confident	114 Å²	114	59.6 Å²	59.6	61%	0.61	34%	0.335	S	S	*	.	S	Bend	trans	-90.4	33.4	-175	65.3	-6.4	0	0	0	113	T106 R107	N104-T106 PolarHBondContact O-N 2.97Å; N104-T106 PolarHBondContact OD1-OG1 2.97Å; N104-R107 PolarHBondContact N-O 2.89Å; N104-R107 PolarHBondContact OD1-N 3.19Å; N104-R107 PolarHBondContact OD1-O 2.75Å
105	S	70.4	Confident	80.7	Confident	31 Å²	31	63.7 Å²	63.7	22%	0.217	36%	0.359	C	S	.	.	S	Bend	trans	66	-17.7	176	-49.9	0	0	0	0	116.2	H80 G95 G103	H80-S105 PolarHBondContact N-O 3.36Å; G95-S105 WeakPolarHBondContact O-CB 3.22Å; G95-S105 PolarHBondContact O-OG 3.05Å; G103-S105 PolarHBondContact O-N 2.92Å
106	T	70.6	Confident	81.2	Confident	72 Å²	72	65.1 Å²	65.1	44%	0.442	37%	0.366	S	S	.	.	S	Bend	trans	-105.6	-27.4	171.1	53.9	0	0	0	0	112.4	N104	N104-T106 PolarHBondContact O-N 2.97Å; N104-T106 PolarHBondContact OD1-OG1 2.97Å
107	R	74.9	Confident	81.7	Confident	188 Å²	188	67.7 Å²	67.7	71%	0.709	37%	0.365	S	S	*	.	S	Bend	trans	-129.7	103.9	171.2	-167.6	175	-177.4	176.7	0.5	109.5	G103 N104	G103-R107 WeakPolarHBondContact CA-O 3.41Å; N104-R107 PolarHBondContact N-O 2.89Å; N104-R107 PolarHBondContact OD1-N 3.19Å; N104-R107 PolarHBondContact OD1-O 2.75Å
108	C	81.3	Confident	82.1	Confident	11 Å²	11	66.6 Å²	66.6	7%	0.074	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.7	175.9	-57.8	0	0	0	0	109	H80 C97 M101	H80-C108 HydrophobicContact CB-CB 4.26Å; H80-C108 PolarHBondContact CD2-N 2.92Å; H80-C108 PolarHBondContact NE2-O 3.22Å; C97-C108 WeakPolarHBondContact CA-SG 3.49Å; C97-C108 HydrophobicContact CB-CB 3.8Å; C97-C108 WeakPolarHBondContact CB-SG 3.27Å; C97-C108 WeakPolarHBondContact SG-CB 3.28Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.18Å; M101-C108 HydrophobicContact CB-CB 4Å; M101-C108 HydrophobicContact SD-CB 4.13Å
109	M	80.6	Confident	82.5	Confident	119 Å²	119	65.5 Å²	65.5	59%	0.586	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	144	175	-63	-175.8	-58.3	0	0	108.6	M101 V102	M101-M109 CarbonylContact C-O 3.48Å; M101-M109 VanDerWaalsContact CA-O 3.22Å; M101-M109 WeakPolarHBondContact CA-O 3.48Å; M101-M109 WeakPolarHBondContact CB-O 3.33Å; V102-M109 PolarHBondContact N-O 2.77Å; V102-M109 PolarHBondContact O-N 3.07Å
110	D	84.7	Confident	83.1	Confident	46 Å²	46	60.8 Å²	60.8	25%	0.246	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	140	175.8	-165.4	63.4	0	0	0	112.1	N127 S129	D110-N127 PolarHBondContact OD2-ND2 3.35Å; D110-S129 WeakPolarHBondContact CB-OG 3.44Å; D110-S129 VanDerWaalsContact CG-OG 3.3Å; D110-S129 VanDerWaalsContact OD1-CA 3.27Å; D110-S129 WeakPolarHBondContact OD1-CA 3.31Å; D110-S129 WeakPolarHBondContact OD1-CB 3.44Å; D110-S129 PolarHBondContact OD1-OG 3.08Å
111	V	86.1	Confident	83.4	Confident	31 Å²	31	68.5 Å²	68.5	19%	0.188	37%	0.365	C	S	.	.			trans	-96.1	122.8	172.9	-175.5	0	0	0	0	108.4	G100 V102 E113 L151	G100-V111 WeakPolarHBondContact O-CB 3.38Å; G100-V111 WeakPolarHBondContact O-CG2 3.46Å; G100-V111 PolarHBondContact O-N 3.39Å; V102-V111 HydrophobicContact CB-CG2 4.12Å; V102-V111 HydrophobicContact CG1-CG2 3.3Å; V102-V111 HydrophobicContact CG2-CG2 4.09Å; V111-E113 PolarHBondContact O-N 3.31Å; V111-L151 HydrophobicContact CG1-CD1 3.28Å
112	D	86.8	Confident	83.4	Confident	74 Å²	74	70.8 Å²	70.8	40%	0.396	40%	0.397	S	S	.	.			trans	-74	98.5	175.9	-172.8	-10.7	0	0	0	111.2	C114 V115 N127	D112-C114 VanDerWaalsContact C-N 3.26Å; D112-C114 PolarHBondContact O-N 3.15Å; D112-C114 WeakPolarHBondContact OD1-CA 3.3Å; D112-C114 VanDerWaalsContact OD1-CB 3.22Å; D112-C114 WeakPolarHBondContact OD1-CB 3.25Å; D112-C114 PolarHBondContact OD1-N 2.93Å; D112-V115 HydrophobicContact CB-CG2 4.2Å; D112-V115 WeakPolarHBondContact O-CG2 3.25Å; D112-N127 WeakPolarHBondContact CA-OD1 3.19Å
113	E	89.9	Confident	83.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-76.1	-10.2	177.2	-58	94.1	168.2	0	0	113.5	V111 V115 V116 N127 G131 F132 L151 A154	V111-E113 PolarHBondContact O-N 3.31Å; E113-V115 PolarHBondContact O-N 3.48Å; E113-V116 VanDerWaalsContact O-CG2 3.22Å; E113-V116 WeakPolarHBondContact O-CG2 3.27Å; E113-V116 PolarHBondContact O-N 2.74Å; E113-N127 PolarHBondContact OE2-OD1 2.71Å; E113-G131 VanDerWaalsContact OE2-CA 3.28Å; E113-G131 WeakPolarHBondContact OE2-CA 3.33Å; E113-F132 HydrophobicContact CB-CB 4.14Å; E113-F132 HydrophobicContact CB-CD1 3.72Å; E113-F132 HydrophobicContact CB-CG 4.11Å; E113-F132 HydrophobicContact CG-CD1 4.31Å; E113-F132 PolarHBondContact OE2-N 2.83Å; E113-L151 HydrophobicContact CG-CD1 4.48Å; E113-A154 HydrophobicContact CB-CB 3.87Å; E113-A154 HydrophobicContact CG-CB 4.44Å
114	C	88.8	Confident	84.2	Confident	23 Å²	23	74.7 Å²	74.7	16%	0.155	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-68.3	-15	175.9	-69.7	0	0	0	0	113	D112 V116 K117 C125 N127	D112-C114 VanDerWaalsContact C-N 3.26Å; D112-C114 PolarHBondContact O-N 3.15Å; D112-C114 WeakPolarHBondContact OD1-CA 3.3Å; D112-C114 VanDerWaalsContact OD1-CB 3.22Å; D112-C114 WeakPolarHBondContact OD1-CB 3.25Å; D112-C114 PolarHBondContact OD1-N 2.93Å; C114-V116 PolarHBondContact O-N 3.39Å; C114-K117 PolarHBondContact O-N 3.03Å; C114-C125 WeakPolarHBondContact CA-SG 3.21Å; C114-C125 HydrophobicContact CB-CB 3.76Å; C114-C125 WeakPolarHBondContact CB-SG 3.41Å; C114-C125 WeakPolarHBondContact SG-CB 3.28Å; C114-C125 CovalentContact SG-SG 2.04Å; C114-C125 PolarHBondContact SG-SG 2.88Å; C114-N127 PolarHBondContact SG-N 3.22Å
115	V	87.6	Confident	85	Confident	111 Å²	111	70.9 Å²	70.9	67%	0.673	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-58.6	-32.8	175	178.5	0	0	0	0	112.2	D112 E113 K117	D112-V115 HydrophobicContact CB-CG2 4.2Å; D112-V115 WeakPolarHBondContact O-CG2 3.25Å; E113-V115 PolarHBondContact O-N 3.48Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 2.76Å
116	V	87.8	Confident	86	Confident	43 Å²	43	71.6 Å²	71.6	26%	0.261	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-86.8	6.4	179	-61.2	0	0	0	0	114	E113 C114 L151 A154	E113-V116 VanDerWaalsContact O-CG2 3.22Å; E113-V116 WeakPolarHBondContact O-CG2 3.27Å; E113-V116 PolarHBondContact O-N 2.74Å; C114-V116 PolarHBondContact O-N 3.39Å; V116-L151 HydrophobicContact CG1-CD2 3.69Å; V116-L151 HydrophobicContact CG1-CG 4.35Å; V116-A154 HydrophobicContact CG2-CB 3.65Å
117	K	89.6	Confident	87	Confident	166 Å²	166	70.9 Å²	70.9	72%	0.722	37%	0.367	S	S	*	.			trans	48.2	64.1	179.9	-59	-178.5	-178.1	-179.6	0	112.8	C114 V115 C119	C114-K117 PolarHBondContact O-N 3.03Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 2.76Å; K117-C119 VanDerWaalsContact C-N 3.29Å; K117-C119 PolarHBondContact O-N 2.99Å
118	P	88.6	Confident	87.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.344	C	S	.	.			trans	-73.8	-17.1	-178.4	30.1	-35.2	0	0	0	113.8	F132 A154 K158 Q159	P118-F132 HydrophobicContact CB-CD2 4.16Å; P118-F132 HydrophobicContact CB-CE2 3.42Å; P118-F132 VanDerWaalsContact CB-CE2 3.42Å; P118-F132 HydrophobicContact CB-CZ 3.66Å; P118-F132 HydrophobicContact CG-CD2 3.44Å; P118-F132 VanDerWaalsContact CG-CD2 3.44Å; P118-F132 HydrophobicContact CG-CE2 3.24Å; P118-F132 HydrophobicContact CG-CG 4.19Å; P118-F132 HydrophobicContact CG-CZ 3.84Å; P118-A154 HydrophobicContact CB-CB 4.08Å; P118-A154 WeakPolarHBondContact CB-O 3.38Å; P118-A154 HydrophobicContact CG-CB 4.35Å; P118-K158 CarbonylContact O-C 3.54Å; P118-K158 VanDerWaalsContact O-CA 3.28Å; P118-K158 WeakPolarHBondContact O-CA 3.39Å; P118-Q159 PolarHBondContact O-N 3.48Å
119	C	91.1	Very high	87.7	Confident	18 Å²	18	67.2 Å²	67.2	12%	0.122	37%	0.369	C	S	.	.	S	Bend	trans	-88.8	158.4	-177.8	-48.4	0	0	0	0	112.9	K117 V123 C125 C134	K117-C119 VanDerWaalsContact C-N 3.29Å; K117-C119 PolarHBondContact O-N 2.99Å; C119-V123 HydrophobicContact CB-CB 4.18Å; C119-V123 HydrophobicContact CB-CG1 4.16Å; C119-C125 HydrophobicContact CB-CB 4.42Å; C119-C125 VanDerWaalsContact SG-CA 3.54Å; C119-C125 WeakPolarHBondContact SG-CB 3.46Å; C119-C125 VanDerWaalsContact SG-SG 3.68Å; C119-C134 WeakPolarHBondContact CA-SG 3.49Å; C119-C134 HydrophobicContact CB-CB 3.76Å; C119-C134 WeakPolarHBondContact CB-SG 3.46Å; C119-C134 WeakPolarHBondContact SG-CA 3.43Å; C119-C134 WeakPolarHBondContact SG-CB 3.24Å; C119-C134 CovalentContact SG-SG 2.03Å; C119-C134 PolarHBondContact SG-SG 3.33Å
120	H	89.8	Confident	87.7	Confident	56 Å²	56	64.9 Å²	64.9	26%	0.259	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-61.6	152.5	178	-173.1	-89.7	0	0	0	111	G122 V123 Q159 C161	H120-G122 PolarHBondContact O-N 3.33Å; H120-V123 HydrophobicContact CB-CB 4.48Å; H120-V123 HydrophobicContact CB-CG2 3.95Å; H120-V123 WeakPolarHBondContact O-CB 3.48Å; H120-V123 PolarHBondContact O-N 3.07Å; H120-Q159 HydrophobicContact CB-CB 4.42Å; H120-Q159 HydrophobicContact CB-CG 4.29Å; H120-C161 HydrophobicContact CB-CB 4.26Å; H120-C161 VanDerWaalsContact CB-SG 3.59Å
121	M	84.2	Confident	88	Confident	172 Å²	172	62.7 Å²	62.7	85%	0.847	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	130	176.8	-75.8	-164.5	66.1	0	0	110.8	V123	M121-V123 VanDerWaalsContact C-N 3.33Å
122	G	82.3	Confident	88.2	Confident	83 Å²	83	61.3 Å²	61.3	86%	0.856	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-10.6	-175.1	0	0	0	0	0	115.2	H120	H120-G122 PolarHBondContact O-N 3.33Å
123	V	89.2	Confident	88.5	Confident	20 Å²	20	63.9 Å²	63.9	12%	0.121	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-92.2	132.7	176.7	-179.7	0	0	0	0	110.9	C119 H120 M121 C125 G135 P136 P138	C119-V123 HydrophobicContact CB-CB 4.18Å; C119-V123 HydrophobicContact CB-CG1 4.16Å; H120-V123 HydrophobicContact CB-CB 4.48Å; H120-V123 HydrophobicContact CB-CG2 3.95Å; H120-V123 WeakPolarHBondContact O-CB 3.48Å; H120-V123 PolarHBondContact O-N 3.07Å; M121-V123 VanDerWaalsContact C-N 3.33Å; V123-C125 PolarHBondContact O-N 3.12Å; V123-G135 WeakPolarHBondContact CG1-O 3.36Å; V123-P136 WeakPolarHBondContact CG1-O 3.48Å; V123-P136 WeakPolarHBondContact CG2-O 3.07Å; V123-P138 HydrophobicContact CG2-CG 3.89Å
124	R	90.2	Very high	88.7	Confident	190 Å²	190	64.1 Å²	64.1	72%	0.717	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-72.2	123	177.7	-171.5	173.1	71.5	167.5	0.9	111	G135	R124-G135 PolarHBondContact O-N 3.19Å
125	C	91.3	Very high	88.7	Confident	35 Å²	35	63.6 Å²	63.6	24%	0.236	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.3	166.8	-169.7	0	0	0	0	110.1	C114 C119 V123	C114-C125 WeakPolarHBondContact CA-SG 3.21Å; C114-C125 HydrophobicContact CB-CB 3.76Å; C114-C125 WeakPolarHBondContact CB-SG 3.41Å; C114-C125 WeakPolarHBondContact SG-CB 3.28Å; C114-C125 CovalentContact SG-SG 2.04Å; C114-C125 PolarHBondContact SG-SG 2.88Å; C119-C125 HydrophobicContact CB-CB 4.42Å; C119-C125 VanDerWaalsContact SG-CA 3.54Å; C119-C125 WeakPolarHBondContact SG-CB 3.46Å; C119-C125 VanDerWaalsContact SG-SG 3.68Å; V123-C125 PolarHBondContact O-N 3.12Å
126	I	91.8	Very high	88.8	Confident	46 Å²	46	62.5 Å²	62.5	24%	0.236	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114	177.7	-57.1	172	0	0	0	107.5	T128 F132 R133	I126-T128 HydrophobicContact CG2-CG2 4.36Å; I126-F132 WeakPolarHBondContact O-CA 3.47Å; I126-R133 HydrophobicContact CB-CG 3.97Å; I126-R133 HydrophobicContact CG2-CG 4.46Å; I126-R133 PolarHBondContact N-O 2.91Å; I126-R133 PolarHBondContact O-N 3.43Å
127	N	89.8	Confident	88.9	Confident	56 Å²	56	61.4 Å²	61.4	30%	0.299	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134	170.7	-166.9	46	0	0	0	109.5	D110 D112 E113 C114 G131	D110-N127 PolarHBondContact OD2-ND2 3.35Å; D112-N127 WeakPolarHBondContact CA-OD1 3.19Å; E113-N127 PolarHBondContact OE2-OD1 2.71Å; C114-N127 PolarHBondContact SG-N 3.22Å; N127-G131 PolarHBondContact OD1-O 3.31Å
128	T	87.3	Confident	88.9	Confident	39 Å²	39	55.4 Å²	55.4	24%	0.239	31%	0.314	C	S	.	.			trans	-125.5	155.4	-177.2	52.4	0	0	0	0	108.9	I126 P130 G131 F132 R133	I126-T128 HydrophobicContact CG2-CG2 4.36Å; T128-P130 CarbonylContact O-C 3.58Å; T128-P130 VanDerWaalsContact O-C 3.24Å; T128-G131 CarbonylContact C-O 3.45Å; T128-G131 VanDerWaalsContact C-O 3.3Å; T128-G131 VanDerWaalsContact CA-O 3.3Å; T128-G131 WeakPolarHBondContact CA-O 3.43Å; T128-G131 PolarHBondContact N-O 2.85Å; T128-G131 CarbonylContact O-C 3.46Å; T128-G131 PolarHBondContact O-N 3.35Å; T128-G131 PolarHBondContact OG1-O 3.03Å; T128-F132 PolarHBondContact OG1-N 2.91Å; T128-R133 HydrophobicContact CG2-CG 4.14Å
129	S	85.2	Confident	88.8	Confident	83 Å²	83	62 Å²	62	58%	0.58	36%	0.355	S	S	*	.	S	Bend	trans	-116.1	105.2	175.1	-160.2	0	0	0	0	110.8	M101 D110	M101-S129 WeakPolarHBondContact CE-OG 3.45Å; D110-S129 WeakPolarHBondContact CB-OG 3.44Å; D110-S129 VanDerWaalsContact CG-OG 3.3Å; D110-S129 VanDerWaalsContact OD1-CA 3.27Å; D110-S129 WeakPolarHBondContact OD1-CA 3.31Å; D110-S129 WeakPolarHBondContact OD1-CB 3.44Å; D110-S129 PolarHBondContact OD1-OG 3.08Å
130	P	80.8	Confident	88.6	Confident	71 Å²	71	61.8 Å²	61.8	46%	0.461	36%	0.355	S	S	.	.	S	Bend	cis	-89.3	144.1	2.9	36.5	-35.2	0	0	0	114.5	M101 T128 V149	M101-P130 HydrophobicContact CE-CB 4.15Å; T128-P130 CarbonylContact O-C 3.58Å; T128-P130 VanDerWaalsContact O-C 3.24Å; P130-V149 HydrophobicContact CB-CG1 3.63Å; P130-V149 HydrophobicContact CG-CG1 4.07Å
131	G	89.1	Confident	88.5	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	103.2	-158.2	165.5	0	0	0	0	0	117.2	E113 N127 T128 G148	E113-G131 VanDerWaalsContact OE2-CA 3.28Å; E113-G131 WeakPolarHBondContact OE2-CA 3.33Å; N127-G131 PolarHBondContact OD1-O 3.31Å; T128-G131 CarbonylContact C-O 3.45Å; T128-G131 VanDerWaalsContact C-O 3.3Å; T128-G131 VanDerWaalsContact CA-O 3.3Å; T128-G131 WeakPolarHBondContact CA-O 3.43Å; T128-G131 PolarHBondContact N-O 2.85Å; T128-G131 CarbonylContact O-C 3.46Å; T128-G131 PolarHBondContact O-N 3.35Å; T128-G131 PolarHBondContact OG1-O 3.03Å; G131-G148 CarbonylContact C-O 3.49Å; G131-G148 VanDerWaalsContact CA-O 3.25Å; G131-G148 WeakPolarHBondContact CA-O 3.29Å
132	F	91.9	Very high	88.8	Confident	2 Å²	2	58 Å²	58	1%	0.009	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	161.2	174.7	78.8	-74.9	0	0	0	112.1	E113 P118 I126 T128 V146 Q147 G148 Y153 A154	E113-F132 HydrophobicContact CB-CB 4.14Å; E113-F132 HydrophobicContact CB-CD1 3.72Å; E113-F132 HydrophobicContact CB-CG 4.11Å; E113-F132 HydrophobicContact CG-CD1 4.31Å; E113-F132 PolarHBondContact OE2-N 2.83Å; P118-F132 HydrophobicContact CB-CD2 4.16Å; P118-F132 HydrophobicContact CB-CE2 3.42Å; P118-F132 VanDerWaalsContact CB-CE2 3.42Å; P118-F132 HydrophobicContact CB-CZ 3.66Å; P118-F132 HydrophobicContact CG-CD2 3.44Å; P118-F132 VanDerWaalsContact CG-CD2 3.44Å; P118-F132 HydrophobicContact CG-CE2 3.24Å; P118-F132 HydrophobicContact CG-CG 4.19Å; P118-F132 HydrophobicContact CG-CZ 3.84Å; I126-F132 WeakPolarHBondContact O-CA 3.47Å; T128-F132 PolarHBondContact OG1-N 2.91Å; F132-V146 HydrophobicContact CE2-CG1 4.27Å; F132-V146 HydrophobicContact CZ-CG1 4.04Å; F132-Q147 VanDerWaalsContact O-CA 3.24Å; F132-Q147 WeakPolarHBondContact O-CA 3.44Å; F132-Q147 WeakPolarHBondContact O-CB 3.22Å; F132-G148 VanDerWaalsContact CD1-O 3.25Å; F132-G148 WeakPolarHBondContact CD1-O 3.03Å; F132-G148 PolarHBondContact N-O 2.03Å; F132-G148 PolarHBondContact O-N 2.89Å; F132-G148 VanDerWaalsContact O-N 3.07Å; F132-Y153 HydrophobicContact CE1-CD1 4.42Å; F132-A154 HydrophobicContact CD1-CB 4.01Å; F132-A154 HydrophobicContact CE1-CB 3.44Å; F132-A154 VanDerWaalsContact CE1-CB 3.44Å; F132-A154 HydrophobicContact CZ-CB 3.87Å
133	R	92.4	Very high	89	Confident	127 Å²	127	55.4 Å²	55.4	48%	0.479	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.5	167.3	68.4	-176	-176.9	-156.7	-0.3	111.9	I126 T128 Q147	I126-R133 HydrophobicContact CB-CG 3.97Å; I126-R133 HydrophobicContact CG2-CG 4.46Å; I126-R133 PolarHBondContact N-O 2.91Å; I126-R133 PolarHBondContact O-N 3.43Å; T128-R133 HydrophobicContact CG2-CG 4.14Å; R133-Q147 HydrophobicContact CB-CB 3.94Å
134	C	93.4	Very high	89	Confident	5 Å²	5	59 Å²	59	3%	0.034	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.4	170.5	-64.9	0	0	0	0	111.2	C119 V146	C119-C134 WeakPolarHBondContact CA-SG 3.49Å; C119-C134 HydrophobicContact CB-CB 3.76Å; C119-C134 WeakPolarHBondContact CB-SG 3.46Å; C119-C134 WeakPolarHBondContact SG-CA 3.43Å; C119-C134 WeakPolarHBondContact SG-CB 3.24Å; C119-C134 CovalentContact SG-SG 2.03Å; C119-C134 PolarHBondContact SG-SG 3.33Å; C134-V146 WeakPolarHBondContact CB-O 3.43Å; C134-V146 PolarHBondContact N-O 3.38Å
135	G	89.6	Confident	88.9	Confident	12 Å²	12	56 Å²	56	12%	0.124	33%	0.331	C	S	.	.			trans	-64.2	174.7	167.2	0	0	0	0	0	113	V123 R124 Q159	V123-G135 WeakPolarHBondContact CG1-O 3.36Å; R124-G135 PolarHBondContact O-N 3.19Å; G135-Q159 PolarHBondContact O-NE2 3Å
136	P	89.9	Confident	88.8	Confident	89 Å²	89	55.3 Å²	55.3	58%	0.578	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-61.5	159.9	170.3	28.4	-33.8	0	0	0	111.2	V123	V123-P136 WeakPolarHBondContact CG1-O 3.48Å; V123-P136 WeakPolarHBondContact CG2-O 3.07Å
137	C	90.1	Very high	88.8	Confident	20 Å²	20	60 Å²	60	14%	0.135	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-58	152.3	171.2	-72	0	0	0	0	111.2	Y141 C161	C137-Y141 WeakPolarHBondContact CB-O 3.22Å; C137-C161 WeakPolarHBondContact CA-SG 3.47Å; C137-C161 HydrophobicContact CB-CB 3.79Å; C137-C161 WeakPolarHBondContact CB-SG 3.48Å; C137-C161 VanDerWaalsContact SG-CA 3.56Å; C137-C161 WeakPolarHBondContact SG-CB 3.4Å; C137-C161 CovalentContact SG-SG 2.04Å; C137-C161 PolarHBondContact SG-SG 3.28Å
138	P	89.3	Confident	88.8	Confident	40 Å²	40	57.9 Å²	57.9	26%	0.26	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-59.4	157.8	175.9	-19.9	34	0	0	0	111.3	V123 G140 Y141	V123-P138 HydrophobicContact CG2-CG 3.89Å; P138-G140 PolarHBondContact O-N 2.89Å; P138-Y141 HydrophobicContact CB-CD2 4.31Å; P138-Y141 PolarHBondContact O-N 2.73Å
139	T	87.2	Confident	88.7	Confident	139 Å²	139	58.9 Å²	58.9	85%	0.853	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	136	173.1	-48.2	0	0	0	0	110.5	Y141	T139-Y141 VanDerWaalsContact C-N 3.34Å
140	G	84.9	Confident	88.7	Confident	12 Å²	12	56 Å²	56	12%	0.124	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-0.9	-174.5	0	0	0	0	0	114.6	P138 I164	P138-G140 PolarHBondContact O-N 2.89Å; G140-I164 WeakPolarHBondContact O-CB 3.21Å; G140-I164 PolarHBondContact O-N 3.45Å
141	Y	89.6	Confident	88.8	Confident	62 Å²	62	56.3 Å²	56.3	24%	0.243	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.1	177	-64.9	-103.4	0	0	0	111.9	C137 P138 T139 C161 K162 D163 P185 G186	C137-Y141 WeakPolarHBondContact CB-O 3.22Å; P138-Y141 HydrophobicContact CB-CD2 4.31Å; P138-Y141 PolarHBondContact O-N 2.73Å; T139-Y141 VanDerWaalsContact C-N 3.34Å; Y141-C161 HydrophobicContact CD1-CB 4.29Å; Y141-C161 HydrophobicContact CG-CB 4.44Å; Y141-K162 CarbonylContact C-O 3.3Å; Y141-K162 WeakPolarHBondContact CA-O 3.48Å; Y141-K162 WeakPolarHBondContact CB-O 3.45Å; Y141-D163 HydrophobicContact CD1-CB 4.31Å; Y141-D163 HydrophobicContact CE1-CB 4.09Å; Y141-P185 VanDerWaalsContact OH-C 3.27Å; Y141-G186 PolarHBondContact OH-N 3.29Å
142	T	89.3	Confident	88.6	Confident	86 Å²	86	60 Å²	60	53%	0.528	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.6	175.5	-170.4	0	0	0	0	111.3	K162 I164	T142-K162 PolarHBondContact N-O 2.69Å; T142-K162 PolarHBondContact O-N 2.87Å; T142-I164 HydrophobicContact CG2-CG1 3.95Å
143	G	87.8	Confident	88.3	Confident	30 Å²	30	64.7 Å²	64.7	31%	0.309	37%	0.365	S	S	.	.			trans	169.5	157.7	179.2	0	0	0	0	0	112.6
144	P	87.5	Confident	87.9	Confident	96 Å²	96	58.7 Å²	58.7	62%	0.623	34%	0.342	S	S	*	.			trans	-67.6	143.8	179.5	28.3	-33.7	0	0	0	111.3
145	Q	88	Confident	87.6	Confident	127 Å²	127	62.1 Å²	62.1	59%	0.593	36%	0.363	S	S	*	.			trans	-74.1	137.3	168.2	-72.2	-178.8	-19.7	0	0	109.8
146	V	90.4	Very high	87.5	Confident	20 Å²	20	70 Å²	70	12%	0.121	39%	0.394	C	S	.	.			trans	-106.8	129.2	180	179.5	0	0	0	0	109.7	F132 C134 N157 Q159	F132-V146 HydrophobicContact CE2-CG1 4.27Å; F132-V146 HydrophobicContact CZ-CG1 4.04Å; C134-V146 WeakPolarHBondContact CB-O 3.43Å; C134-V146 PolarHBondContact N-O 3.38Å; V146-N157 HydrophobicContact CG1-CB 4.42Å; V146-N157 WeakPolarHBondContact CG1-O 3.28Å; V146-Q159 HydrophobicContact CB-CB 4.29Å; V146-Q159 HydrophobicContact CG2-CB 3.79Å; V146-Q159 HydrophobicContact CG2-CG 4.24Å
147	Q	91.6	Very high	87.4	Confident	143 Å²	143	68.9 Å²	68.9	67%	0.668	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.9	170.7	65.6	-178.1	28	0	0	109.9	F132 R133 Y153	F132-Q147 VanDerWaalsContact O-CA 3.24Å; F132-Q147 WeakPolarHBondContact O-CA 3.44Å; F132-Q147 WeakPolarHBondContact O-CB 3.22Å; R133-Q147 HydrophobicContact CB-CB 3.94Å; Q147-Y153 WeakPolarHBondContact O-CE1 3.44Å
148	G	89.3	Confident	87.4	Confident	13 Å²	13	74 Å²	74	13%	0.134	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	169.5	-178.5	0	0	0	0	0	112.2	G131 F132	G131-G148 CarbonylContact C-O 3.49Å; G131-G148 VanDerWaalsContact CA-O 3.25Å; G131-G148 WeakPolarHBondContact CA-O 3.29Å; F132-G148 VanDerWaalsContact CD1-O 3.25Å; F132-G148 WeakPolarHBondContact CD1-O 3.03Å; F132-G148 PolarHBondContact N-O 2.03Å; F132-G148 PolarHBondContact O-N 2.89Å; F132-G148 VanDerWaalsContact O-N 3.07Å
149	V	86.2	Confident	87.4	Confident	59 Å²	59	72.3 Å²	72.3	36%	0.358	39%	0.392	S	S	.	.	S	Bend	trans	-118.8	12.9	-165.5	-162.7	0	0	0	0	112.5	E99 G100 P130	E99-V149 CarbonylContact C-O 3.51Å; E99-V149 WeakPolarHBondContact O-CG1 2.99Å; G100-V149 WeakPolarHBondContact CA-O 3.4Å; G100-V149 PolarHBondContact N-O 3.44Å; P130-V149 HydrophobicContact CB-CG1 3.63Å; P130-V149 HydrophobicContact CG-CG1 4.07Å
150	S	83.7	Confident	87.5	Confident	24 Å²	24	70.1 Å²	70.1	17%	0.168	38%	0.378	C	S	.	.			trans	-147.9	150.3	-179.9	71.5	0	0	0	0	113.7	S152 Y153 A154	S150-S152 PolarHBondContact O-N 3.27Å; S150-S152 PolarHBondContact OG-OG 2.04Å; S150-Y153 WeakPolarHBondContact O-CB 3.04Å; S150-Y153 PolarHBondContact O-N 3.42Å; S150-Y153 VanDerWaalsContact O-N 3.08Å; S150-Y153 WeakPolarHBondContact OG-CB 3.34Å; S150-Y153 PolarHBondContact OG-N 3.05Å; S150-A154 WeakPolarHBondContact O-CB 3.49Å; S150-A154 PolarHBondContact O-N 2.94Å
151	L	83.3	Confident	87.7	Confident	76 Å²	76	70 Å²	70	40%	0.398	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-34.1	178.6	-132.2	124	0	0	0	112.4	V111 E113 V116 T155	V111-L151 HydrophobicContact CG1-CD1 3.28Å; E113-L151 HydrophobicContact CG-CD1 4.48Å; V116-L151 HydrophobicContact CG1-CD2 3.69Å; V116-L151 HydrophobicContact CG1-CG 4.35Å; L151-T155 WeakPolarHBondContact O-CB 3.03Å; L151-T155 PolarHBondContact O-N 3.44Å; L151-T155 PolarHBondContact O-OG1 3.27Å
152	S	84.3	Confident	87.7	Confident	78 Å²	78	74.1 Å²	74.1	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-69.8	-35.5	175.7	59.5	0	0	0	0	111.9	S150 K156	S150-S152 PolarHBondContact O-N 3.27Å; S150-S152 PolarHBondContact OG-OG 2.04Å; S152-K156 WeakPolarHBondContact O-CG 3.5Å; S152-K156 PolarHBondContact O-N 3.05Å
153	Y	87.3	Confident	87.7	Confident	101 Å²	101	72.5 Å²	72.5	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-71.1	-45	173.5	-171.2	-86.4	0	0	0	111.7	F132 Q147 S150 T155 K156 N157	F132-Y153 HydrophobicContact CE1-CD1 4.42Å; Q147-Y153 WeakPolarHBondContact O-CE1 3.44Å; S150-Y153 WeakPolarHBondContact O-CB 3.04Å; S150-Y153 PolarHBondContact O-N 3.42Å; S150-Y153 VanDerWaalsContact O-N 3.08Å; S150-Y153 WeakPolarHBondContact OG-CB 3.34Å; S150-Y153 PolarHBondContact OG-N 3.05Å; Y153-T155 VanDerWaalsContact C-N 3.28Å; Y153-T155 PolarHBondContact O-N 2.81Å; Y153-K156 PolarHBondContact O-N 3.43Å; Y153-N157 HydrophobicContact CD1-CB 4.26Å; Y153-N157 VanDerWaalsContact CD2-ND2 3.28Å; Y153-N157 WeakPolarHBondContact CD2-ND2 3.44Å; Y153-N157 HydrophobicContact CE1-CB 3.95Å; Y153-N157 VanDerWaalsContact CE2-ND2 3.31Å; Y153-N157 WeakPolarHBondContact CE2-ND2 3.43Å; Y153-N157 WeakPolarHBondContact O-CB 3.04Å; Y153-N157 PolarHBondContact O-N 2.04Å; Y153-N157 PolarHBondContact O-ND2 3.3Å; Y153-N157 VanDerWaalsContact O-ND2 3.12Å
154	A	84.1	Confident	87.8	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-60.3	-35.3	177	0	0	0	0	0	112.8	E113 V116 P118 F132 S150	E113-A154 HydrophobicContact CB-CB 3.87Å; E113-A154 HydrophobicContact CG-CB 4.44Å; V116-A154 HydrophobicContact CG2-CB 3.65Å; P118-A154 HydrophobicContact CB-CB 4.08Å; P118-A154 WeakPolarHBondContact CB-O 3.38Å; P118-A154 HydrophobicContact CG-CB 4.35Å; F132-A154 HydrophobicContact CD1-CB 4.01Å; F132-A154 HydrophobicContact CE1-CB 3.44Å; F132-A154 VanDerWaalsContact CE1-CB 3.44Å; F132-A154 HydrophobicContact CZ-CB 3.87Å; S150-A154 WeakPolarHBondContact O-CB 3.49Å; S150-A154 PolarHBondContact O-N 2.94Å
155	T	85.4	Confident	87.8	Confident	77 Å²	77	72.1 Å²	72.1	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-72.9	-35.6	178	-54.6	0	0	0	0	112.4	L151 Y153	L151-T155 WeakPolarHBondContact O-CB 3.03Å; L151-T155 PolarHBondContact O-N 3.44Å; L151-T155 PolarHBondContact O-OG1 3.27Å; Y153-T155 VanDerWaalsContact C-N 3.28Å; Y153-T155 PolarHBondContact O-N 2.81Å
156	K	87.8	Confident	87.9	Confident	178 Å²	178	67.8 Å²	67.8	77%	0.774	35%	0.347	S	S	*	.	H	α-helix	trans	-86.3	-35.3	-176.3	-73.8	-179.3	178.8	-178.4	0	113.5	S152 Y153	S152-K156 WeakPolarHBondContact O-CG 3.5Å; S152-K156 PolarHBondContact O-N 3.05Å; Y153-K156 PolarHBondContact O-N 3.43Å
157	N	88.1	Confident	87.8	Confident	65 Å²	65	68 Å²	68	35%	0.348	35%	0.35	S	S	.	.			trans	-107.8	81.8	-174.1	-59.8	-76.2	0	0	0	109.2	V146 Y153	V146-N157 HydrophobicContact CG1-CB 4.42Å; V146-N157 WeakPolarHBondContact CG1-O 3.28Å; Y153-N157 HydrophobicContact CD1-CB 4.26Å; Y153-N157 VanDerWaalsContact CD2-ND2 3.28Å; Y153-N157 WeakPolarHBondContact CD2-ND2 3.44Å; Y153-N157 HydrophobicContact CE1-CB 3.95Å; Y153-N157 VanDerWaalsContact CE2-ND2 3.31Å; Y153-N157 WeakPolarHBondContact CE2-ND2 3.43Å; Y153-N157 WeakPolarHBondContact O-CB 3.04Å; Y153-N157 PolarHBondContact O-N 2.04Å; Y153-N157 PolarHBondContact O-ND2 3.3Å; Y153-N157 VanDerWaalsContact O-ND2 3.12Å
158	K	89.4	Confident	87.5	Confident	128 Å²	128	69 Å²	69	56%	0.557	35%	0.354	S	S	*	.			trans	-83.4	141.5	174.2	-66.3	-169.7	175.9	-172	0	110.6	P118 V160	P118-K158 CarbonylContact O-C 3.54Å; P118-K158 VanDerWaalsContact O-CA 3.28Å; P118-K158 WeakPolarHBondContact O-CA 3.39Å; K158-V160 PolarHBondContact O-N 3.4Å
159	Q	89.6	Confident	86.8	Confident	5 Å²	5	69.8 Å²	69.8	2%	0.023	36%	0.363	C	S	.	.			trans	-66.6	126.1	173.6	-175.4	-179.1	31.5	0	0	110.2	P118 H120 G135 V146	P118-Q159 PolarHBondContact O-N 3.48Å; H120-Q159 HydrophobicContact CB-CB 4.42Å; H120-Q159 HydrophobicContact CB-CG 4.29Å; G135-Q159 PolarHBondContact O-NE2 3Å; V146-Q159 HydrophobicContact CB-CB 4.29Å; V146-Q159 HydrophobicContact CG2-CB 3.79Å; V146-Q159 HydrophobicContact CG2-CG 4.24Å
160	V	89.9	Confident	85.9	Confident	93 Å²	93	73.1 Å²	73.1	56%	0.564	39%	0.386	S	S	*	.			trans	-110.8	118.2	175.7	-178.6	0	0	0	0	107.9	K158	K158-V160 PolarHBondContact O-N 3.4Å
161	C	90.1	Very high	85.6	Confident	10 Å²	10	81 Å²	81	7%	0.068	42%	0.417	C	S	.	.			trans	-105.4	124.6	173.7	-65.5	0	0	0	0	107.7	H120 C137 Y141	H120-C161 HydrophobicContact CB-CB 4.26Å; H120-C161 VanDerWaalsContact CB-SG 3.59Å; C137-C161 WeakPolarHBondContact CA-SG 3.47Å; C137-C161 HydrophobicContact CB-CB 3.79Å; C137-C161 WeakPolarHBondContact CB-SG 3.48Å; C137-C161 VanDerWaalsContact SG-CA 3.56Å; C137-C161 WeakPolarHBondContact SG-CB 3.4Å; C137-C161 CovalentContact SG-SG 2.04Å; C137-C161 PolarHBondContact SG-SG 3.28Å; Y141-C161 HydrophobicContact CD1-CB 4.29Å; Y141-C161 HydrophobicContact CG-CB 4.44Å
162	K	89.4	Confident	85.6	Confident	148 Å²	148	79.5 Å²	79.5	64%	0.643	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.8	175.2	-66.8	-175	178.9	-176.7	0	109	Y141 T142	Y141-K162 CarbonylContact C-O 3.3Å; Y141-K162 WeakPolarHBondContact CA-O 3.48Å; Y141-K162 WeakPolarHBondContact CB-O 3.45Å; T142-K162 PolarHBondContact N-O 2.69Å; T142-K162 PolarHBondContact O-N 2.87Å
163	D	89.3	Confident	85.3	Confident	52 Å²	52	76.7 Å²	76.7	28%	0.278	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	137.8	172.8	-172	54.4	0	0	0	110.6	Y141 N183 G186	Y141-D163 HydrophobicContact CD1-CB 4.31Å; Y141-D163 HydrophobicContact CE1-CB 4.09Å; D163-N183 PolarHBondContact OD2-ND2 3.46Å; D163-G186 PolarHBondContact OD1-N 2.77Å
164	I	88.5	Confident	85	Confident	69 Å²	69	75 Å²	75	35%	0.354	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-87.2	121.7	173.6	-63.7	171.2	0	0	0	106.7	G140 T142 E166 N183	G140-I164 WeakPolarHBondContact O-CB 3.21Å; G140-I164 PolarHBondContact O-N 3.45Å; T142-I164 HydrophobicContact CG2-CG1 3.95Å; I164-E166 HydrophobicContact CG2-CG 4.3Å; I164-E166 VanDerWaalsContact O-CD 3.24Å; I164-E166 PolarHBondContact O-N 2.93Å; I164-E166 VanDerWaalsContact O-N 3.15Å; I164-E166 VanDerWaalsContact O-OE2 3.04Å; I164-N183 PolarHBondContact O-OD1 3Å
165	N	88.4	Confident	85.2	Confident	48 Å²	48	75.4 Å²	75.4	26%	0.257	41%	0.409	S	S	.	.			trans	-80.2	94.8	171.8	-171.7	-10.7	0	0	0	109.6	C167 E168 N183	N165-C167 PolarHBondContact O-N 2.89Å; N165-C167 WeakPolarHBondContact OD1-CB 3.46Å; N165-C167 PolarHBondContact OD1-N 3.41Å; N165-C167 VanDerWaalsContact OD1-N 3.17Å; N165-E168 HydrophobicContact CB-CB 4.37Å; N165-E168 HydrophobicContact CB-CG 4.36Å; N165-E168 WeakPolarHBondContact ND2-CG 3.31Å; N165-E168 PolarHBondContact ND2-OE1 2.82Å; N165-E168 PolarHBondContact O-N 3.02Å; N165-N183 WeakPolarHBondContact OD1-CB 3.41Å
166	E	89.3	Confident	85.2	Confident	36 Å²	36	73.5 Å²	73.5	17%	0.168	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-67.5	-22.5	-178.6	-57	92.4	161.7	0	0	112.6	I164 E168 G169 G173 N183 F188	I164-E166 HydrophobicContact CG2-CG 4.3Å; I164-E166 VanDerWaalsContact O-CD 3.24Å; I164-E166 PolarHBondContact O-N 2.93Å; I164-E166 VanDerWaalsContact O-N 3.15Å; I164-E166 VanDerWaalsContact O-OE2 3.04Å; E166-E168 VanDerWaalsContact C-N 3.29Å; E166-E168 PolarHBondContact O-N 3.34Å; E166-G169 PolarHBondContact O-N 3.46Å; E166-G173 WeakPolarHBondContact O-CA 3.39Å; E166-G173 PolarHBondContact O-N 2.82Å; E166-G173 VanDerWaalsContact O-N 3.1Å; E166-N183 PolarHBondContact OE2-OD1 2.79Å; E166-N183 VanDerWaalsContact OE2-OD1 3.1Å; E166-F188 HydrophobicContact CB-CB 4.22Å; E166-F188 HydrophobicContact CB-CD1 3.47Å; E166-F188 VanDerWaalsContact CB-CD1 3.47Å; E166-F188 HydrophobicContact CB-CE1 4.06Å; E166-F188 HydrophobicContact CB-CG 3.9Å; E166-F188 HydrophobicContact CG-CD1 3.63Å; E166-F188 HydrophobicContact CG-CE1 4.16Å; E166-F188 HydrophobicContact CG-CG 4.46Å
167	C	88.1	Confident	85	Confident	25 Å²	25	72.4 Å²	72.4	17%	0.169	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-70.4	-23.8	177.4	-55.5	0	0	0	0	113.2	N165 G169 C181 N183	N165-C167 PolarHBondContact O-N 2.89Å; N165-C167 WeakPolarHBondContact OD1-CB 3.46Å; N165-C167 PolarHBondContact OD1-N 3.41Å; N165-C167 VanDerWaalsContact OD1-N 3.17Å; C167-G169 VanDerWaalsContact C-N 3.29Å; C167-C181 WeakPolarHBondContact CA-SG 3.34Å; C167-C181 HydrophobicContact CB-CB 3.66Å; C167-C181 WeakPolarHBondContact CB-SG 3.07Å; C167-C181 WeakPolarHBondContact SG-CB 3.27Å; C167-C181 CovalentContact SG-SG 2.04Å; C167-C181 PolarHBondContact SG-SG 3.1Å; C167-N183 PolarHBondContact SG-N 3.29Å; C167-N183 VanDerWaalsContact SG-N 3.43Å
168	E	85.3	Confident	84.8	Confident	163 Å²	163	71.4 Å²	71.4	76%	0.762	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-84.9	-3.9	174.8	-75	172	-164.6	0	0	112.7	N165 E166	N165-E168 HydrophobicContact CB-CB 4.37Å; N165-E168 HydrophobicContact CB-CG 4.36Å; N165-E168 WeakPolarHBondContact ND2-CG 3.31Å; N165-E168 PolarHBondContact ND2-OE1 2.82Å; N165-E168 PolarHBondContact O-N 3.02Å; E166-E168 VanDerWaalsContact C-N 3.29Å; E166-E168 PolarHBondContact O-N 3.34Å
169	G	76.3	Confident	84.8	Confident	31 Å²	31	65.3 Å²	65.3	32%	0.32	36%	0.363	S	S	.	.	S	Bend	trans	-78.7	167.5	177.3	0	0	0	0	0	113.9	E166 C167 K171 N172	E166-G169 PolarHBondContact O-N 3.46Å; C167-G169 VanDerWaalsContact C-N 3.29Å; G169-K171 PolarHBondContact O-N 2.81Å; G169-N172 PolarHBondContact O-N 3.24Å
170	P	67.3	Low	84.8	Confident	129 Å²	129	68.9 Å²	68.9	84%	0.838	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.7	172.9	23.8	-31.4	0	0	0	110.4
171	K	76.4	Confident	84.8	Confident	189 Å²	189	65.8 Å²	65.8	82%	0.822	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	33.8	-177.2	-51.1	-173.5	175.6	-170.9	0	116.1	G169 G173 G174	G169-K171 PolarHBondContact O-N 2.81Å; K171-G173 VanDerWaalsContact C-N 3.32Å; K171-G173 PolarHBondContact O-N 2.76Å; K171-G174 PolarHBondContact O-N 3.35Å
172	N	83.1	Confident	84.8	Confident	44 Å²	44	67 Å²	67	24%	0.235	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	54.8	44.1	168.1	-169.5	38.3	0	0	0	113.1	G169 G174 C175 S179 C181	G169-N172 PolarHBondContact O-N 3.24Å; N172-G174 PolarHBondContact O-N 2.88Å; N172-G174 VanDerWaalsContact O-N 3.13Å; N172-C175 WeakPolarHBondContact O-CB 3.27Å; N172-C175 PolarHBondContact O-N 3.3Å; N172-C175 VanDerWaalsContact O-N 3.09Å; N172-S179 PolarHBondContact ND2-O 3.38Å; N172-C181 WeakPolarHBondContact OD1-CB 3.41Å
173	G	77.3	Confident	84.8	Confident	19 Å²	19	62.5 Å²	62.5	20%	0.196	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	68.3	4.1	-176.2	0	0	0	0	0	115.6	E166 K171 F188	E166-G173 WeakPolarHBondContact O-CA 3.39Å; E166-G173 PolarHBondContact O-N 2.82Å; E166-G173 VanDerWaalsContact O-N 3.1Å; K171-G173 VanDerWaalsContact C-N 3.32Å; K171-G173 PolarHBondContact O-N 2.76Å; G173-F188 WeakPolarHBondContact O-CE2 3.27Å; G173-F188 WeakPolarHBondContact O-CZ 3.11Å
174	G	82.3	Confident	84.8	Confident	65 Å²	65	61.8 Å²	61.8	67%	0.67	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	86.5	8.6	-170.3	0	0	0	0	0	113.7	K171 N172	K171-G174 PolarHBondContact O-N 3.35Å; N172-G174 PolarHBondContact O-N 2.88Å; N172-G174 VanDerWaalsContact O-N 3.13Å
175	C	88.3	Confident	84.8	Confident	10 Å²	10	63.9 Å²	63.9	7%	0.068	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-67	153	164.9	-60.7	0	0	0	0	110.5	N172 E177 C190	N172-C175 WeakPolarHBondContact O-CB 3.27Å; N172-C175 PolarHBondContact O-N 3.3Å; N172-C175 VanDerWaalsContact O-N 3.09Å; C175-E177 PolarHBondContact O-N 3.1Å; C175-C190 WeakPolarHBondContact CA-SG 3.35Å; C175-C190 HydrophobicContact CB-CB 3.71Å; C175-C190 WeakPolarHBondContact CB-SG 3.22Å; C175-C190 WeakPolarHBondContact SG-CA 3.31Å; C175-C190 WeakPolarHBondContact SG-CB 3.32Å; C175-C190 CovalentContact SG-SG 2.03Å; C175-C190 PolarHBondContact SG-SG 2.94Å
176	V	85.9	Confident	84.6	Confident	37 Å²	37	62.7 Å²	62.7	22%	0.224	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-53.6	140.1	175	166.2	0	0	0	0	110.2	S179 Q201 C205	V176-S179 VanDerWaalsContact O-CB 3.28Å; V176-S179 WeakPolarHBondContact O-CB 3.24Å; V176-S179 PolarHBondContact O-N 3.36Å; V176-S179 VanDerWaalsContact O-N 3.09Å; V176-S179 PolarHBondContact O-OG 2.73Å; V176-Q201 HydrophobicContact CG2-CB 4.34Å; V176-Q201 VanDerWaalsContact CG2-O 3.27Å; V176-Q201 WeakPolarHBondContact CG2-O 3.35Å; V176-C205 HydrophobicContact CG1-CB 4.28Å
177	E	81.9	Confident	84.5	Confident	155 Å²	155	63.8 Å²	63.8	72%	0.724	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	142.3	177.9	-167.9	167.4	-167.8	0	0	110.8	C175 S179 C205	C175-E177 PolarHBondContact O-N 3.1Å; E177-S179 PolarHBondContact O-N 3.4Å; E177-C205 WeakPolarHBondContact O-CB 3.23Å
178	N	84	Confident	84.6	Confident	44 Å²	44	65.5 Å²	65.5	24%	0.235	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	23.8	-173	-55.4	-44.9	0	0	0	115.4	K194 Y197 C205	N178-K194 WeakPolarHBondContact O-CB 3.5Å; N178-K194 WeakPolarHBondContact O-CG 3.14Å; N178-K194 PolarHBondContact O-N 2.88Å; N178-Y197 HydrophobicContact CB-CD1 3.7Å; N178-Y197 HydrophobicContact CB-CD2 4.11Å; N178-Y197 HydrophobicContact CB-CE1 3.73Å; N178-Y197 HydrophobicContact CB-CE2 4.12Å; N178-Y197 HydrophobicContact CB-CG 3.9Å; N178-Y197 VanDerWaalsContact ND2-CE1 3.27Å; N178-Y197 WeakPolarHBondContact ND2-CE1 3.47Å; N178-C205 HydrophobicContact CB-CB 4.25Å
179	S	89.4	Confident	84.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.8	167.2	76.3	0	0	0	0	113.4	N172 V176 E177 Q201	N172-S179 PolarHBondContact ND2-O 3.38Å; V176-S179 VanDerWaalsContact O-CB 3.28Å; V176-S179 WeakPolarHBondContact O-CB 3.24Å; V176-S179 PolarHBondContact O-N 3.36Å; V176-S179 VanDerWaalsContact O-N 3.09Å; V176-S179 PolarHBondContact O-OG 2.73Å; E177-S179 PolarHBondContact O-N 3.4Å; S179-Q201 PolarHBondContact OG-NE2 3.19Å
180	N	89.8	Confident	85.4	Confident	79 Å²	79	66.6 Å²	66.6	42%	0.422	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.9	179	-67.7	-57.6	0	0	0	110.7	G191 L192 C193	N180-G191 WeakPolarHBondContact O-CA 3.36Å; N180-G191 PolarHBondContact O-N 3.44Å; N180-L192 PolarHBondContact N-O 2.88Å; N180-L192 PolarHBondContact ND2-O 3.23Å; N180-L192 VanDerWaalsContact ND2-O 3.08Å; N180-C193 PolarHBondContact ND2-O 3.25Å
181	C	91	Very high	86.3	Confident	28 Å²	28	62.1 Å²	62.1	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.6	170.7	-176.4	0	0	0	0	109.6	C167 N172	C167-C181 WeakPolarHBondContact CA-SG 3.34Å; C167-C181 HydrophobicContact CB-CB 3.66Å; C167-C181 WeakPolarHBondContact CB-SG 3.07Å; C167-C181 WeakPolarHBondContact SG-CB 3.27Å; C167-C181 CovalentContact SG-SG 2.04Å; C167-C181 PolarHBondContact SG-SG 3.1Å; N172-C181 WeakPolarHBondContact OD1-CB 3.41Å
182	A	90.4	Very high	87	Confident	36 Å²	36	60.2 Å²	60.2	30%	0.298	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.3	174.5	0	0	0	0	0	109.9	R189	A182-R189 HydrophobicContact CB-CG 3.84Å; A182-R189 PolarHBondContact N-O 3.1Å; A182-R189 PolarHBondContact O-N 3.15Å
183	N	88.6	Confident	87.2	Confident	54 Å²	54	58.9 Å²	58.9	29%	0.289	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	141.3	175.4	-172.6	35.9	0	0	0	110.9	D163 I164 N165 E166 C167 S187	D163-N183 PolarHBondContact OD2-ND2 3.46Å; I164-N183 PolarHBondContact O-OD1 3Å; N165-N183 WeakPolarHBondContact OD1-CB 3.41Å; E166-N183 PolarHBondContact OE2-OD1 2.79Å; E166-N183 VanDerWaalsContact OE2-OD1 3.1Å; C167-N183 PolarHBondContact SG-N 3.29Å; C167-N183 VanDerWaalsContact SG-N 3.43Å; N183-S187 PolarHBondContact OD1-O 3.24Å
184	T	88.7	Confident	87.5	Confident	37 Å²	37	62.4 Å²	62.4	23%	0.227	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.3	177.1	60.9	0	0	0	0	110.2	G186 S187 R189	T184-G186 PolarHBondContact O-N 2.9Å; T184-S187 CarbonylContact C-O 3.47Å; T184-S187 WeakPolarHBondContact CA-O 3.47Å; T184-S187 WeakPolarHBondContact CB-O 3.36Å; T184-S187 PolarHBondContact N-O 3.45Å; T184-S187 CarbonylContact O-C 3.24Å; T184-S187 PolarHBondContact O-N 2.7Å; T184-S187 VanDerWaalsContact O-N 3.08Å; T184-S187 VanDerWaalsContact OG1-C 3.27Å; T184-S187 PolarHBondContact OG1-O 2.79Å; T184-R189 HydrophobicContact CG2-CG 4.43Å
185	P	88.3	Confident	87.4	Confident	113 Å²	113	64.2 Å²	64.2	73%	0.734	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	109.7	-179.2	-25.7	35.3	0	0	0	112.7	Y141	Y141-P185 VanDerWaalsContact OH-C 3.27Å
186	G	84.6	Confident	86.6	Confident	22 Å²	22	65.7 Å²	65.7	23%	0.227	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	7.3	179.8	0	0	0	0	0	116.3	Y141 D163 T184	Y141-G186 PolarHBondContact OH-N 3.29Å; D163-G186 PolarHBondContact OD1-N 2.77Å; T184-G186 PolarHBondContact O-N 2.9Å
187	S	88.1	Confident	86.4	Confident	59 Å²	59	66.5 Å²	66.5	41%	0.413	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	175	-178.9	-172.5	0	0	0	0	111	N183 T184	N183-S187 PolarHBondContact OD1-O 3.24Å; T184-S187 CarbonylContact C-O 3.47Å; T184-S187 WeakPolarHBondContact CA-O 3.47Å; T184-S187 WeakPolarHBondContact CB-O 3.36Å; T184-S187 PolarHBondContact N-O 3.45Å; T184-S187 CarbonylContact O-C 3.24Å; T184-S187 PolarHBondContact O-N 2.7Å; T184-S187 VanDerWaalsContact O-N 3.08Å; T184-S187 VanDerWaalsContact OG1-C 3.27Å; T184-S187 PolarHBondContact OG1-O 2.79Å
188	F	89.6	Confident	86.5	Confident	62 Å²	62	62.7 Å²	62.7	27%	0.272	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	166.5	168.4	63.5	-73.2	0	0	0	111	E166 G173	E166-F188 HydrophobicContact CB-CB 4.22Å; E166-F188 HydrophobicContact CB-CD1 3.47Å; E166-F188 VanDerWaalsContact CB-CD1 3.47Å; E166-F188 HydrophobicContact CB-CE1 4.06Å; E166-F188 HydrophobicContact CB-CG 3.9Å; E166-F188 HydrophobicContact CG-CD1 3.63Å; E166-F188 HydrophobicContact CG-CE1 4.16Å; E166-F188 HydrophobicContact CG-CG 4.46Å; G173-F188 WeakPolarHBondContact O-CE2 3.27Å; G173-F188 WeakPolarHBondContact O-CZ 3.11Å
189	R	89.4	Confident	86.5	Confident	166 Å²	166	62.9 Å²	62.9	63%	0.626	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.1	170.2	66.8	-174.7	-178.5	-148.8	-1.7	111	A182 T184	A182-R189 HydrophobicContact CB-CG 3.84Å; A182-R189 PolarHBondContact N-O 3.1Å; A182-R189 PolarHBondContact O-N 3.15Å; T184-R189 HydrophobicContact CG2-CG 4.43Å
190	C	90	Very high	86.3	Confident	51 Å²	51	66.1 Å²	66.1	35%	0.345	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128	171.5	-51.5	0	0	0	0	109.8	C175 Q201	C175-C190 WeakPolarHBondContact CA-SG 3.35Å; C175-C190 HydrophobicContact CB-CB 3.71Å; C175-C190 WeakPolarHBondContact CB-SG 3.22Å; C175-C190 WeakPolarHBondContact SG-CA 3.31Å; C175-C190 WeakPolarHBondContact SG-CB 3.32Å; C175-C190 CovalentContact SG-SG 2.03Å; C175-C190 PolarHBondContact SG-SG 2.94Å; C190-Q201 HydrophobicContact CB-CG 4.18Å
191	G	86.2	Confident	86.1	Confident	34 Å²	34	65.7 Å²	65.7	35%	0.351	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-161.3	-178.1	0	0	0	0	0	112.9	N180 Q201	N180-G191 WeakPolarHBondContact O-CA 3.36Å; N180-G191 PolarHBondContact O-N 3.44Å; G191-Q201 PolarHBondContact O-NE2 2.78Å
192	L	89.6	Confident	85.7	Confident	149 Å²	149	75.7 Å²	75.7	78%	0.78	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	162	174.4	-61.2	170.3	0	0	0	110.8	N180	N180-L192 PolarHBondContact N-O 2.88Å; N180-L192 PolarHBondContact ND2-O 3.23Å; N180-L192 VanDerWaalsContact ND2-O 3.08Å
193	C	87.6	Confident	85.3	Confident	17 Å²	17	82.1 Å²	82.1	12%	0.115	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	149.5	167.9	-58.6	0	0	0	0	110.7	N180 Y197 G199 C205	N180-C193 PolarHBondContact ND2-O 3.25Å; C193-Y197 WeakPolarHBondContact CB-O 3.32Å; C193-G199 VanDerWaalsContact SG-C 3.56Å; C193-C205 WeakPolarHBondContact CA-SG 3.4Å; C193-C205 HydrophobicContact CB-CB 3.73Å; C193-C205 WeakPolarHBondContact CB-SG 3.21Å; C193-C205 VanDerWaalsContact SG-CA 3.54Å; C193-C205 WeakPolarHBondContact SG-CB 3.07Å; C193-C205 CovalentContact SG-SG 2.04Å; C193-C205 PolarHBondContact SG-SG 3.15Å
194	K	84.5	Confident	85	Confident	93 Å²	93	80.6 Å²	80.6	40%	0.404	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-62.4	161	173.4	-69.4	178.1	-177.1	178	0	109.5	N178 G196 Y197	N178-K194 WeakPolarHBondContact O-CB 3.5Å; N178-K194 WeakPolarHBondContact O-CG 3.14Å; N178-K194 PolarHBondContact O-N 2.88Å; K194-G196 PolarHBondContact O-N 3.31Å; K194-Y197 HydrophobicContact CB-CD2 4.46Å; K194-Y197 PolarHBondContact O-N 3.39Å
195	A	78.6	Confident	84.8	Confident	102 Å²	102	79.4 Å²	79.4	84%	0.843	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	138	174.9	0	0	0	0	0	110.5	Y197	A195-Y197 VanDerWaalsContact C-N 3.34Å
196	G	73.4	Confident	84.6	Confident	41 Å²	41	80.9 Å²	80.9	42%	0.423	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	0.7	-173.9	0	0	0	0	0	115	K194 P207 E208	K194-G196 PolarHBondContact O-N 3.31Å; G196-P207 CarbonylContact O-C 3.2Å; G196-P207 WeakPolarHBondContact O-CA 3.47Å; G196-E208 PolarHBondContact O-N 3.11Å
197	Y	81.2	Confident	84.3	Confident	55 Å²	55	81 Å²	81	22%	0.216	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.2	176.8	-66.7	-102.4	0	0	0	111.7	N178 C193 K194 A195 K206 P207 P216	N178-Y197 HydrophobicContact CB-CD1 3.7Å; N178-Y197 HydrophobicContact CB-CD2 4.11Å; N178-Y197 HydrophobicContact CB-CE1 3.73Å; N178-Y197 HydrophobicContact CB-CE2 4.12Å; N178-Y197 HydrophobicContact CB-CG 3.9Å; N178-Y197 VanDerWaalsContact ND2-CE1 3.27Å; N178-Y197 WeakPolarHBondContact ND2-CE1 3.47Å; C193-Y197 WeakPolarHBondContact CB-O 3.32Å; K194-Y197 HydrophobicContact CB-CD2 4.46Å; K194-Y197 PolarHBondContact O-N 3.39Å; A195-Y197 VanDerWaalsContact C-N 3.34Å; Y197-K206 CarbonylContact C-O 3.55Å; Y197-K206 WeakPolarHBondContact CA-O 3Å; Y197-K206 WeakPolarHBondContact CB-O 3.47Å; Y197-K206 VanDerWaalsContact CD1-C 3.48Å; Y197-P207 HydrophobicContact CD1-CB 4.41Å; Y197-P207 HydrophobicContact CE1-CB 4.28Å; Y197-P207 HydrophobicContact CE1-CG 4.48Å; Y197-P216 HydrophobicContact CE1-CG 4.21Å; Y197-P216 HydrophobicContact CE2-CG 4.5Å; Y197-P216 WeakPolarHBondContact OH-CG 3.06Å
198	V	82.9	Confident	83.9	Confident	74 Å²	74	84.6 Å²	84.6	45%	0.448	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144	176.9	-64.4	0	0	0	0	110.5	K206 E208	V198-K206 PolarHBondContact N-O 2.73Å; V198-K206 PolarHBondContact O-N 2.89Å; V198-E208 HydrophobicContact CG1-CB 3.96Å; V198-E208 HydrophobicContact CG1-CG 3.87Å
199	G	84.6	Confident	83.5	Confident	48 Å²	48	86.8 Å²	86.8	50%	0.495	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	141.4	-159.3	179.7	0	0	0	0	0	113.1	C193 G204	C193-G199 VanDerWaalsContact SG-C 3.56Å; G199-G204 WeakPolarHBondContact CA-O 3.06Å
200	D	86.4	Confident	83.2	Confident	69 Å²	69	81.4 Å²	81.4	37%	0.369	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	176.7	-178.7	67.5	32.2	0	0	0	111.4	R202 K203 G204	D200-R202 PolarHBondContact O-N 2.98Å; D200-R202 VanDerWaalsContact O-N 3.15Å; D200-R202 WeakPolarHBondContact OD1-CA 3.42Å; D200-R202 WeakPolarHBondContact OD1-CB 3.34Å; D200-R202 PolarHBondContact OD1-N 3.19Å; D200-K203 WeakPolarHBondContact OD1-CB 3.1Å; D200-K203 PolarHBondContact OD1-N 3.17Å; D200-G204 PolarHBondContact N-O 2.94Å; D200-G204 CarbonylContact O-C 3.57Å; D200-G204 WeakPolarHBondContact O-CA 3.48Å; D200-G204 PolarHBondContact O-N 3.4Å
201	Q	84	Confident	83	Confident	69 Å²	69	79.5 Å²	79.5	32%	0.322	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.2	-179.2	-60.7	-66.2	-36.3	0	0	114	V176 S179 C190 G191	V176-Q201 HydrophobicContact CG2-CB 4.34Å; V176-Q201 VanDerWaalsContact CG2-O 3.27Å; V176-Q201 WeakPolarHBondContact CG2-O 3.35Å; S179-Q201 PolarHBondContact OG-NE2 3.19Å; C190-Q201 HydrophobicContact CB-CG 4.18Å; G191-Q201 PolarHBondContact O-NE2 2.78Å
202	R	82.9	Confident	82.7	Confident	238 Å²	238	81.8 Å²	81.8	90%	0.898	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-43.2	176.8	-74.3	-176	-164.5	-104.6	-1	113.1	D200	D200-R202 PolarHBondContact O-N 2.98Å; D200-R202 VanDerWaalsContact O-N 3.15Å; D200-R202 WeakPolarHBondContact OD1-CA 3.42Å; D200-R202 WeakPolarHBondContact OD1-CB 3.34Å; D200-R202 PolarHBondContact OD1-N 3.19Å
203	K	81.8	Confident	82.2	Confident	171 Å²	171	77.7 Å²	77.7	74%	0.743	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-15.2	-177.1	-67.7	-176	177.5	-177.8	0	112.5	D200	D200-K203 WeakPolarHBondContact OD1-CB 3.1Å; D200-K203 PolarHBondContact OD1-N 3.17Å
204	G	82.8	Confident	81.7	Confident	22 Å²	22	79.1 Å²	79.1	23%	0.227	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.7	155.6	-169.8	0	0	0	0	0	111.2	G199 D200	G199-G204 WeakPolarHBondContact CA-O 3.06Å; D200-G204 PolarHBondContact N-O 2.94Å; D200-G204 CarbonylContact O-C 3.57Å; D200-G204 WeakPolarHBondContact O-CA 3.48Å; D200-G204 PolarHBondContact O-N 3.4Å
205	C	85.1	Confident	81.6	Confident	13 Å²	13	79.6 Å²	79.6	9%	0.088	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114	168.6	-68.7	0	0	0	0	108.4	V176 E177 N178 C193	V176-C205 HydrophobicContact CG1-CB 4.28Å; E177-C205 WeakPolarHBondContact O-CB 3.23Å; N178-C205 HydrophobicContact CB-CB 4.25Å; C193-C205 WeakPolarHBondContact CA-SG 3.4Å; C193-C205 HydrophobicContact CB-CB 3.73Å; C193-C205 WeakPolarHBondContact CB-SG 3.21Å; C193-C205 VanDerWaalsContact SG-CA 3.54Å; C193-C205 WeakPolarHBondContact SG-CB 3.07Å; C193-C205 CovalentContact SG-SG 2.04Å; C193-C205 PolarHBondContact SG-SG 3.15Å
206	K	82.8	Confident	81.9	Confident	143 Å²	143	77.3 Å²	77.3	62%	0.622	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	150.2	177.4	-65	-171.2	176.8	-166.6	0	110	Y197 V198	Y197-K206 CarbonylContact C-O 3.55Å; Y197-K206 WeakPolarHBondContact CA-O 3Å; Y197-K206 WeakPolarHBondContact CB-O 3.47Å; Y197-K206 VanDerWaalsContact CD1-C 3.48Å; V198-K206 PolarHBondContact N-O 2.73Å; V198-K206 PolarHBondContact O-N 2.89Å
207	P	79.4	Confident	82.6	Confident	24 Å²	24	76.9 Å²	76.9	16%	0.156	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141.9	175.3	15.7	-22.5	0	0	0	111.3	G196 Y197 A210 G214 P216	G196-P207 CarbonylContact O-C 3.2Å; G196-P207 WeakPolarHBondContact O-CA 3.47Å; Y197-P207 HydrophobicContact CD1-CB 4.41Å; Y197-P207 HydrophobicContact CE1-CB 4.28Å; Y197-P207 HydrophobicContact CE1-CG 4.48Å; P207-A210 HydrophobicContact CB-CB 4.37Å; P207-A210 HydrophobicContact CG-CB 3.89Å; P207-G214 WeakPolarHBondContact CG-O 2.85Å; P207-P216 HydrophobicContact CB-CB 3.88Å; P207-P216 HydrophobicContact CB-CG 4Å; P207-P216 HydrophobicContact CG-CG 4.28Å
208	E	79.2	Confident	83	Confident	136 Å²	136	77.6 Å²	77.6	64%	0.636	43%	0.43	S	S	*	.	S	Bend	trans	-69.2	-41.7	-179.9	-174.4	170.2	-163.2	0	0	111.9	G196 V198	G196-E208 PolarHBondContact O-N 3.11Å; V198-E208 HydrophobicContact CG1-CB 3.96Å; V198-E208 HydrophobicContact CG1-CG 3.87Å
209	R	82.4	Confident	83.4	Confident	108 Å²	108	74.5 Å²	74.5	41%	0.408	41%	0.412	S	S	.	.	S	Bend	trans	-117.5	125.5	164.2	-70.3	175.1	70.6	-151.4	6.5	107.3	N217 C219 H220	R209-N217 HydrophobicContact CB-CB 3.93Å; R209-N217 WeakPolarHBondContact O-CB 3.43Å; R209-N217 PolarHBondContact O-N 2.61Å; R209-C219 PolarHBondContact NH1-O 3.08Å; R209-H220 PolarHBondContact NH1-O 3.36Å; R209-H220 PolarHBondContact NH2-O 2.62Å
210	A	82.6	Confident	83.9	Confident	52 Å²	52	75.1 Å²	75.1	43%	0.43	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-120.8	150.6	180	0	0	0	0	0	110.4	P207 Q215	P207-A210 HydrophobicContact CB-CB 4.37Å; P207-A210 HydrophobicContact CG-CB 3.89Å; A210-Q215 CarbonylContact C-O 3.46Å; A210-Q215 WeakPolarHBondContact CA-O 3.35Å; A210-Q215 WeakPolarHBondContact CB-O 3.26Å
211	C	85.4	Confident	84	Confident	11 Å²	11	75.6 Å²	75.6	7%	0.074	42%	0.415	C	S	.	.			trans	-80.4	175.7	168.4	-59.4	0	0	0	0	110.8	N213 G214 Q215 N217 C225 V227 I233	C211-N213 PolarHBondContact O-N 3.2Å; C211-N213 VanDerWaalsContact O-N 3.14Å; C211-G214 PolarHBondContact O-N 2.83Å; C211-Q215 PolarHBondContact N-O 2.04Å; C211-N217 VanDerWaalsContact SG-CA 3.55Å; C211-C225 HydrophobicContact CB-CB 3.99Å; C211-C225 WeakPolarHBondContact CB-SG 3.25Å; C211-C225 WeakPolarHBondContact SG-CB 3.46Å; C211-C225 CovalentContact SG-SG 2.02Å; C211-C225 PolarHBondContact SG-SG 3.07Å; C211-V227 HydrophobicContact CB-CG2 4.01Å; C211-I233 HydrophobicContact CB-CD1 4.41Å
212	G	79.6	Confident	84.4	Confident	82 Å²	82	73.8 Å²	73.8	85%	0.845	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.6	-179.7	0	0	0	0	0	114.2	G214	G212-G214 VanDerWaalsContact C-N 3.27Å; G212-G214 PolarHBondContact O-N 2.85Å
213	N	79.6	Confident	84.9	Confident	64 Å²	64	62.8 Å²	62.8	34%	0.342	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.7	176.8	65.9	5	0	0	0	114.5	C211 Q215 V227	C211-N213 PolarHBondContact O-N 3.2Å; C211-N213 VanDerWaalsContact O-N 3.14Å; N213-Q215 VanDerWaalsContact C-N 3.27Å; N213-Q215 PolarHBondContact O-N 3.43Å; N213-Q215 VanDerWaalsContact OD1-CB 3.29Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.1Å; N213-Q215 PolarHBondContact OD1-N 2.04Å; N213-V227 HydrophobicContact CB-CG1 4.26Å; N213-V227 HydrophobicContact CB-CG2 4.32Å
214	G	77.6	Confident	85.3	Confident	46 Å²	46	60.9 Å²	60.9	47%	0.474	37%	0.365	S	S	.	.	S	Bend	trans	78.4	1.5	-179.6	0	0	0	0	0	115.4	P207 C211 G212	P207-G214 WeakPolarHBondContact CG-O 2.85Å; C211-G214 PolarHBondContact O-N 2.83Å; G212-G214 VanDerWaalsContact C-N 3.27Å; G212-G214 PolarHBondContact O-N 2.85Å
215	Q	82	Confident	85.7	Confident	104 Å²	104	60.9 Å²	60.9	49%	0.486	36%	0.361	S	S	.	.	S	Bend	trans	-73.9	157.6	172	-65.3	-164.8	6.5	0	0	111.6	A210 C211 N213 N217 I233	A210-Q215 CarbonylContact C-O 3.46Å; A210-Q215 WeakPolarHBondContact CA-O 3.35Å; A210-Q215 WeakPolarHBondContact CB-O 3.26Å; C211-Q215 PolarHBondContact N-O 2.04Å; N213-Q215 VanDerWaalsContact C-N 3.27Å; N213-Q215 PolarHBondContact O-N 3.43Å; N213-Q215 VanDerWaalsContact OD1-CB 3.29Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.1Å; N213-Q215 PolarHBondContact OD1-N 2.04Å; Q215-N217 PolarHBondContact O-N 2.76Å; Q215-I233 HydrophobicContact CB-CD1 3.95Å
216	P	84.1	Confident	85.7	Confident	54 Å²	54	62.4 Å²	62.4	35%	0.351	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-58.8	132.1	175.2	-17.4	29.4	0	0	0	111.1	Y197 P207 P218	Y197-P216 HydrophobicContact CE1-CG 4.21Å; Y197-P216 HydrophobicContact CE2-CG 4.5Å; Y197-P216 WeakPolarHBondContact OH-CG 3.06Å; P207-P216 HydrophobicContact CB-CB 3.88Å; P207-P216 HydrophobicContact CB-CG 4Å; P207-P216 HydrophobicContact CG-CG 4.28Å; P216-P218 VanDerWaalsContact O-CD 3.23Å; P216-P218 WeakPolarHBondContact O-CD 3.15Å
217	N	88	Confident	85.8	Confident	32 Å²	32	58.2 Å²	58.2	17%	0.171	35%	0.354	C	S	.	.			trans	-74.9	113.1	178.2	-177.3	-20.9	0	0	0	109.9	R209 C211 Q215 C219 C225	R209-N217 HydrophobicContact CB-CB 3.93Å; R209-N217 WeakPolarHBondContact O-CB 3.43Å; R209-N217 PolarHBondContact O-N 2.61Å; C211-N217 VanDerWaalsContact SG-CA 3.55Å; Q215-N217 PolarHBondContact O-N 2.76Å; N217-C219 VanDerWaalsContact C-N 3.35Å; N217-C219 WeakPolarHBondContact OD1-CA 3.13Å; N217-C219 WeakPolarHBondContact OD1-CB 3.26Å; N217-C219 PolarHBondContact OD1-N 3.41Å; N217-C219 PolarHBondContact OD1-SG 3.39Å; N217-C225 WeakPolarHBondContact ND2-CB 3.1Å
218	P	90	Very high	85.7	Confident	70 Å²	70	58.6 Å²	58.6	46%	0.455	35%	0.354	S	S	.	.			trans	-85.8	-7.4	-180	37	-33.9	0	0	0	113.1	P216 I233 Y246	P216-P218 VanDerWaalsContact O-CD 3.23Å; P216-P218 WeakPolarHBondContact O-CD 3.15Å; P218-I233 HydrophobicContact CG-CG2 3.71Å; P218-Y246 HydrophobicContact CB-CE1 4.18Å; P218-Y246 HydrophobicContact CG-CE1 4.15Å
219	C	92.2	Very high	85.3	Confident	8 Å²	8	60.4 Å²	60.4	5%	0.054	36%	0.355	C	S	.	.	S	Bend	trans	-74.3	162.8	-172.3	-48.3	0	0	0	0	112.7	R209 N217 C235	R209-C219 PolarHBondContact NH1-O 3.08Å; N217-C219 VanDerWaalsContact C-N 3.35Å; N217-C219 WeakPolarHBondContact OD1-CA 3.13Å; N217-C219 WeakPolarHBondContact OD1-CB 3.26Å; N217-C219 PolarHBondContact OD1-N 3.41Å; N217-C219 PolarHBondContact OD1-SG 3.39Å; C219-C235 WeakPolarHBondContact CA-SG 3.27Å; C219-C235 HydrophobicContact CB-CB 3.61Å; C219-C235 WeakPolarHBondContact CB-SG 3.41Å; C219-C235 VanDerWaalsContact SG-CA 3.5Å; C219-C235 WeakPolarHBondContact SG-CB 3.28Å; C219-C235 CovalentContact SG-SG 2.03Å; C219-C235 PolarHBondContact SG-SG 2.84Å
220	H	93.3	Very high	84.7	Confident	62 Å²	62	59.3 Å²	59.3	29%	0.287	36%	0.357	S	S	.	.			trans	-55.1	163.9	176.1	-167.9	-113.2	0	0	0	112.3	R209 S222 G223 G245 Y246 C248	R209-H220 PolarHBondContact NH1-O 3.36Å; R209-H220 PolarHBondContact NH2-O 2.62Å; H220-S222 PolarHBondContact ND1-N 3.22Å; H220-S222 PolarHBondContact O-N 3.02Å; H220-G223 PolarHBondContact O-N 3.36Å; H220-G245 VanDerWaalsContact CB-O 3.26Å; H220-G245 WeakPolarHBondContact CB-O 3.28Å; H220-G245 PolarHBondContact N-O 2.92Å; H220-Y246 WeakPolarHBondContact CB-O 3.27Å; H220-C248 HydrophobicContact CB-CB 4.34Å
221	A	90.4	Very high	84.2	Confident	79 Å²	79	58.5 Å²	58.5	65%	0.653	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-37	175.2	0	0	0	0	0	111.9	G223	A221-G223 VanDerWaalsContact C-N 3.35Å
222	S	92.4	Very high	84	Confident	30 Å²	30	64.3 Å²	64.3	21%	0.21	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	10.1	173.8	-42	0	0	0	0	113.2	H220 G238	H220-S222 PolarHBondContact ND1-N 3.22Å; H220-S222 PolarHBondContact O-N 3.02Å; S222-G238 PolarHBondContact O-N 3.22Å
223	G	91.9	Very high	84.3	Confident	8 Å²	8	62 Å²	62	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	140.3	177.5	0	0	0	0	0	111.8	H220 A221 Q236	H220-G223 PolarHBondContact O-N 3.36Å; A221-G223 VanDerWaalsContact C-N 3.35Å; G223-Q236 CarbonylContact C-O 3.47Å; G223-Q236 VanDerWaalsContact CA-O 3.24Å; G223-Q236 WeakPolarHBondContact CA-O 3.36Å
224	E	90.8	Very high	84.7	Confident	131 Å²	131	62.8 Å²	62.8	61%	0.612	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	142.6	168.8	-173.4	157.9	-161.5	0	0	110.3	C235 Q236	E224-C235 WeakPolarHBondContact O-CA 3.39Å; E224-Q236 PolarHBondContact N-O 2.98Å; E224-Q236 PolarHBondContact O-N 3.12Å
225	C	90.8	Very high	85.4	Confident	21 Å²	21	61 Å²	61	14%	0.142	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.6	178.7	-178.5	0	0	0	0	109.6	C211 N217 I233	C211-C225 HydrophobicContact CB-CB 3.99Å; C211-C225 WeakPolarHBondContact CB-SG 3.25Å; C211-C225 WeakPolarHBondContact SG-CB 3.46Å; C211-C225 CovalentContact SG-SG 2.02Å; C211-C225 PolarHBondContact SG-SG 3.07Å; N217-C225 WeakPolarHBondContact ND2-CB 3.1Å; C225-I233 WeakPolarHBondContact SG-CG2 3.07Å
226	I	85.9	Confident	85.9	Confident	46 Å²	46	59.5 Å²	59.5	24%	0.236	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.5	179.3	-56.7	175.3	0	0	0	107.2	E234 Q236	I226-E234 PolarHBondContact N-O 3.07Å; I226-E234 PolarHBondContact O-N 3.26Å; I226-E234 VanDerWaalsContact O-O 3.12Å; I226-Q236 HydrophobicContact CD1-CB 3.81Å
227	V	83.6	Confident	86.4	Confident	54 Å²	54	57.8 Å²	57.8	33%	0.327	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.1	176	-177.6	0	0	0	0	106.8	C211 N213	C211-V227 HydrophobicContact CB-CG2 4.01Å; N213-V227 HydrophobicContact CB-CG1 4.26Å; N213-V227 HydrophobicContact CB-CG2 4.32Å
228	Q	78.9	Confident	86.6	Confident	33 Å²	33	57.3 Å²	57.3	15%	0.154	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-74.8	167.5	178	-63.9	-60.1	-12.1	0	0	111.2	D230 G231 K232 E234	Q228-D230 VanDerWaalsContact C-N 3.26Å; Q228-D230 WeakPolarHBondContact CB-OD1 3.27Å; Q228-D230 PolarHBondContact O-N 3.09Å; Q228-G231 WeakPolarHBondContact O-CA 3.44Å; Q228-G231 PolarHBondContact O-N 3.1Å; Q228-K232 PolarHBondContact N-O 3.46Å; Q228-E234 HydrophobicContact CG-CB 4.3Å; Q228-E234 PolarHBondContact NE2-OE2 3.2Å
229	R	70.6	Confident	86.9	Confident	173 Å²	173	55.9 Å²	55.9	65%	0.653	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.1	-177.9	-68.7	-177.7	177.2	-166.1	-3.7	112.1	G231 E508	R229-G231 PolarHBondContact O-N 2.86Å; R229-G231 VanDerWaalsContact O-N 3.14Å; R229-E508 IonicContact CZ-OE1 2.66Å; R229-E508 VanDerWaalsContact CZ-OE1 3.27Å; R229-E508 IonicContact NH1-OE1 2.97Å; R229-E508 PolarHBondContact NH1-OE1 3.22Å; R229-E508 IonicContact NH2-OE1 2.67Å; R229-E508 PolarHBondContact NH2-OE1 3.05Å
230	D	69	Low	87	Confident	85 Å²	85	55.7 Å²	55.7	46%	0.455	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	0.3	175.9	69.8	-4.5	0	0	0	114.6	Q228 K232	Q228-D230 VanDerWaalsContact C-N 3.26Å; Q228-D230 WeakPolarHBondContact CB-OD1 3.27Å; Q228-D230 PolarHBondContact O-N 3.09Å; D230-K232 VanDerWaalsContact C-N 3.26Å; D230-K232 PolarHBondContact O-N 3.13Å; D230-K232 WeakPolarHBondContact OD1-CB 3.09Å; D230-K232 WeakPolarHBondContact OD1-CG 3.45Å; D230-K232 PolarHBondContact OD1-N 3.05Å; D230-K232 WeakPolarHBondContact OD2-CD 3.2Å; D230-K232 WeakPolarHBondContact OD2-CE 3.46Å; D230-K232 WeakPolarHBondContact OD2-CG 3.02Å; D230-K232 IonicContact OD2-NZ 3.91Å; D230-K232 PolarHBondContact OD2-NZ 3.41Å
231	G	72.4	Confident	87.2	Confident	35 Å²	35	57.1 Å²	57.1	36%	0.361	31%	0.305	S	S	.	.	S	Bend	trans	77.8	2.7	-177.8	0	0	0	0	0	114.8	Q228 R229	Q228-G231 WeakPolarHBondContact O-CA 3.44Å; Q228-G231 PolarHBondContact O-N 3.1Å; R229-G231 PolarHBondContact O-N 2.86Å; R229-G231 VanDerWaalsContact O-N 3.14Å
232	K	82.1	Confident	87.5	Confident	133 Å²	133	53.5 Å²	53.5	58%	0.578	28%	0.275	S	S	*	.			trans	-66.8	151.1	170.2	-67.2	-177.5	-163.9	123.1	0	110	Q228 D230	Q228-K232 PolarHBondContact N-O 3.46Å; D230-K232 VanDerWaalsContact C-N 3.26Å; D230-K232 PolarHBondContact O-N 3.13Å; D230-K232 WeakPolarHBondContact OD1-CB 3.09Å; D230-K232 WeakPolarHBondContact OD1-CG 3.45Å; D230-K232 PolarHBondContact OD1-N 3.05Å; D230-K232 WeakPolarHBondContact OD2-CD 3.2Å; D230-K232 WeakPolarHBondContact OD2-CE 3.46Å; D230-K232 WeakPolarHBondContact OD2-CG 3.02Å; D230-K232 IonicContact OD2-NZ 3.91Å; D230-K232 PolarHBondContact OD2-NZ 3.41Å
233	I	84.9	Confident	87.6	Confident	34 Å²	34	52.5 Å²	52.5	17%	0.174	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.6	178.8	-69.5	167	0	0	0	108	C211 Q215 P218 C225	C211-I233 HydrophobicContact CB-CD1 4.41Å; Q215-I233 HydrophobicContact CB-CD1 3.95Å; P218-I233 HydrophobicContact CG-CG2 3.71Å; C225-I233 WeakPolarHBondContact SG-CG2 3.07Å
234	E	88.1	Confident	87.7	Confident	81 Å²	81	53.4 Å²	53.4	38%	0.379	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.5	168.7	-173	169.8	-177.8	0	0	109.9	I226 Q228	I226-E234 PolarHBondContact N-O 3.07Å; I226-E234 PolarHBondContact O-N 3.26Å; I226-E234 VanDerWaalsContact O-O 3.12Å; Q228-E234 HydrophobicContact CG-CB 4.3Å; Q228-E234 PolarHBondContact NE2-OE2 3.2Å
235	C	91.8	Very high	87.8	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.054	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.7	178.9	-63.6	0	0	0	0	109.1	C219 E224 G245 Y246	C219-C235 WeakPolarHBondContact CA-SG 3.27Å; C219-C235 HydrophobicContact CB-CB 3.61Å; C219-C235 WeakPolarHBondContact CB-SG 3.41Å; C219-C235 VanDerWaalsContact SG-CA 3.5Å; C219-C235 WeakPolarHBondContact SG-CB 3.28Å; C219-C235 CovalentContact SG-SG 2.03Å; C219-C235 PolarHBondContact SG-SG 2.84Å; E224-C235 WeakPolarHBondContact O-CA 3.39Å; C235-G245 WeakPolarHBondContact O-CA 3.4Å; C235-Y246 HydrophobicContact CB-CD1 4.43Å; C235-Y246 HydrophobicContact CB-CD2 4.39Å; C235-Y246 HydrophobicContact CB-CE1 4.28Å; C235-Y246 HydrophobicContact CB-CE2 4.24Å; C235-Y246 HydrophobicContact CB-CG 4.49Å; C235-Y246 WeakPolarHBondContact SG-CE1 3.24Å
236	Q	92.4	Very high	87.8	Confident	72 Å²	72	51.1 Å²	51.1	34%	0.336	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.3	173.4	-171.3	177.3	4.9	0	0	108.9	G223 E224 I226	G223-Q236 CarbonylContact C-O 3.47Å; G223-Q236 VanDerWaalsContact CA-O 3.24Å; G223-Q236 WeakPolarHBondContact CA-O 3.36Å; E224-Q236 PolarHBondContact N-O 2.98Å; E224-Q236 PolarHBondContact O-N 3.12Å; I226-Q236 HydrophobicContact CD1-CB 3.81Å
237	C	94.8	Very high	88.3	Confident	18 Å²	18	53 Å²	53	12%	0.122	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.7	172.9	-62.6	0	0	0	0	109.9	W241 G245 C248	C237-W241 HydrophobicContact CB-CB 4.1Å; C237-W241 VanDerWaalsContact CB-O 3.28Å; C237-W241 WeakPolarHBondContact CB-O 3.27Å; C237-G245 VanDerWaalsContact SG-CA 3.59Å; C237-G245 PolarHBondContact SG-N 3.14Å; C237-G245 VanDerWaalsContact SG-N 3.36Å; C237-C248 WeakPolarHBondContact CA-SG 3.36Å; C237-C248 HydrophobicContact CB-CB 3.86Å; C237-C248 WeakPolarHBondContact CB-SG 3.44Å; C237-C248 VanDerWaalsContact SG-CA 3.54Å; C237-C248 WeakPolarHBondContact SG-CB 3.32Å; C237-C248 CovalentContact SG-SG 2.04Å; C237-C248 PolarHBondContact SG-SG 3.39Å
238	G	93.4	Very high	88.9	Confident	22 Å²	22	50.9 Å²	50.9	23%	0.227	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-71.5	163.8	174.9	0	0	0	0	0	111.6	S222 G240 W241	S222-G238 PolarHBondContact O-N 3.22Å; G238-G240 PolarHBondContact O-N 2.66Å; G238-W241 WeakPolarHBondContact O-CB 3.28Å; G238-W241 PolarHBondContact O-N 3.2Å
239	V	94.7	Very high	89.7	Confident	40 Å²	40	49.5 Å²	49.5	24%	0.242	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	136.7	-178.2	-173.6	0	0	0	0	112.5	W241 I254 R669 Y686 G688 P689	V239-W241 VanDerWaalsContact C-N 3.31Å; V239-I254 HydrophobicContact CG1-CD1 4.32Å; V239-I254 HydrophobicContact CG1-CG2 3.98Å; V239-R669 HydrophobicContact CG1-CB 3.71Å; V239-R669 HydrophobicContact CG1-CG 4.28Å; V239-Y686 HydrophobicContact CB-CD1 4.43Å; V239-Y686 HydrophobicContact CB-CG 4.4Å; V239-Y686 HydrophobicContact CG1-CG 4.16Å; V239-Y686 HydrophobicContact CG2-CD2 4.43Å; V239-Y686 HydrophobicContact CG2-CG 4.35Å; V239-G688 WeakPolarHBondContact CG1-O 3.33Å; V239-P689 VanDerWaalsContact O-CA 3.3Å; V239-P689 WeakPolarHBondContact O-CA 3.08Å; V239-P689 WeakPolarHBondContact O-CB 3.24Å
240	G	94.9	Very high	90.9	Very high	5 Å²	5	43.9 Å²	43.9	5%	0.052	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	11.6	-173	0	0	0	0	0	113.8	G238 D251	G238-G240 PolarHBondContact O-N 2.66Å; G240-D251 CarbonylContact C-O 3.57Å; G240-D251 WeakPolarHBondContact CA-O 3.43Å; G240-D251 PolarHBondContact O-N 2.93Å; G240-D251 VanDerWaalsContact O-N 3.15Å
241	W	96.8	Very high	92.3	Very high	92 Å²	92	40 Å²	40	35%	0.348	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.1	173.8	-52.5	80.2	0	0	0	110.8	C237 G238 V239 C248 G249	C237-W241 HydrophobicContact CB-CB 4.1Å; C237-W241 VanDerWaalsContact CB-O 3.28Å; C237-W241 WeakPolarHBondContact CB-O 3.27Å; G238-W241 WeakPolarHBondContact O-CB 3.28Å; G238-W241 PolarHBondContact O-N 3.2Å; V239-W241 VanDerWaalsContact C-N 3.31Å; W241-C248 HydrophobicContact CB-CB 4.07Å; W241-G249 CarbonylContact C-O 3.46Å; W241-G249 WeakPolarHBondContact CA-O 3.45Å; W241-G249 VanDerWaalsContact CB-O 3.29Å; W241-G249 WeakPolarHBondContact CB-O 3.01Å; W241-G249 VanDerWaalsContact CE3-C 3.47Å; W241-G249 VanDerWaalsContact CE3-O 3.31Å
242	A	96.8	Very high	93.4	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.3	-179.9	0	0	0	0	0	112.6	C248 G249 D251 G256 F257 P258	A242-C248 CarbonylContact O-C 3.5Å; A242-C248 WeakPolarHBondContact O-CA 3.34Å; A242-G249 PolarHBondContact N-O 2.92Å; A242-G249 PolarHBondContact O-N 2.86Å; A242-D251 HydrophobicContact CB-CB 3.75Å; A242-G256 VanDerWaalsContact CB-C 3.44Å; A242-G256 WeakPolarHBondContact CB-O 3.2Å; A242-F257 VanDerWaalsContact CB-C 3.46Å; A242-P258 HydrophobicContact CB-CB 4.07Å; A242-P258 HydrophobicContact CB-CG 4.37Å
243	G	95.3	Very high	94.1	Very high	9 Å²	9	36.8 Å²	36.8	9%	0.093	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.2	-167.6	-174.9	0	0	0	0	0	112.9	G245 F247 N268	G243-G245 VanDerWaalsContact C-N 3.28Å; G243-G245 PolarHBondContact O-N 2.72Å; G243-F247 WeakPolarHBondContact CA-O 3.01Å; G243-N268 VanDerWaalsContact CA-O 3.29Å; G243-N268 WeakPolarHBondContact CA-O 3.43Å; G243-N268 PolarHBondContact N-O 3.06Å; G243-N268 PolarHBondContact O-ND2 2.84Å
244	N	93.1	Very high	94.7	Very high	26 Å²	26	35.4 Å²	35.4	14%	0.139	18%	0.183	C	C	.	.	S	Bend	trans	-87.9	16.6	-175.9	74	-5.3	0	0	0	114.4	Y246 F247 C264 E266	N244-Y246 WeakPolarHBondContact O-CD2 2.97Å; N244-Y246 PolarHBondContact O-N 3.22Å; N244-Y246 PolarHBondContact OD1-N 3.46Å; N244-F247 PolarHBondContact N-O 3.38Å; N244-F247 PolarHBondContact OD1-N 3.38Å; N244-C264 WeakPolarHBondContact ND2-CB 3.4Å; N244-E266 HydrophobicContact CB-CG 4.45Å; N244-E266 PolarHBondContact ND2-OE1 3.27Å
245	G	93.1	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	78	-26.5	-179.4	0	0	0	0	0	115.8	H220 C235 C237 G243	H220-G245 VanDerWaalsContact CB-O 3.26Å; H220-G245 WeakPolarHBondContact CB-O 3.28Å; H220-G245 PolarHBondContact N-O 2.92Å; C235-G245 WeakPolarHBondContact O-CA 3.4Å; C237-G245 VanDerWaalsContact SG-CA 3.59Å; C237-G245 PolarHBondContact SG-N 3.14Å; C237-G245 VanDerWaalsContact SG-N 3.36Å; G243-G245 VanDerWaalsContact C-N 3.28Å; G243-G245 PolarHBondContact O-N 2.72Å
246	Y	92.4	Very high	95.3	Very high	104 Å²	104	31.8 Å²	31.8	41%	0.408	17%	0.169	S	C	.	.	S	Bend	trans	-84.8	-36.2	170.4	-61.6	-78.8	0	0	0	111.6	P218 H220 C235 N244	P218-Y246 HydrophobicContact CB-CE1 4.18Å; P218-Y246 HydrophobicContact CG-CE1 4.15Å; H220-Y246 WeakPolarHBondContact CB-O 3.27Å; C235-Y246 HydrophobicContact CB-CD1 4.43Å; C235-Y246 HydrophobicContact CB-CD2 4.39Å; C235-Y246 HydrophobicContact CB-CE1 4.28Å; C235-Y246 HydrophobicContact CB-CE2 4.24Å; C235-Y246 HydrophobicContact CB-CG 4.49Å; C235-Y246 WeakPolarHBondContact SG-CE1 3.24Å; N244-Y246 WeakPolarHBondContact O-CD2 2.97Å; N244-Y246 PolarHBondContact O-N 3.22Å; N244-Y246 PolarHBondContact OD1-N 3.46Å
247	F	94.9	Very high	95.5	Very high	87 Å²	87	29.2 Å²	29.2	38%	0.382	16%	0.157	S	C	.	.	S	Bend	trans	-118.7	118.8	169.4	-59.4	-85.6	0	0	0	107.7	G243 N244 E263 C264	G243-F247 WeakPolarHBondContact CA-O 3.01Å; N244-F247 PolarHBondContact N-O 3.38Å; N244-F247 PolarHBondContact OD1-N 3.38Å; F247-E263 HydrophobicContact CD1-CB 4.41Å; F247-E263 HydrophobicContact CE1-CB 4.36Å; F247-C264 HydrophobicContact CD2-CB 4.21Å
248	C	96	Very high	95.7	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.054	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123	176.9	-58.2	0	0	0	0	109.9	H220 C237 W241 A242	H220-C248 HydrophobicContact CB-CB 4.34Å; C237-C248 WeakPolarHBondContact CA-SG 3.36Å; C237-C248 HydrophobicContact CB-CB 3.86Å; C237-C248 WeakPolarHBondContact CB-SG 3.44Å; C237-C248 VanDerWaalsContact SG-CA 3.54Å; C237-C248 WeakPolarHBondContact SG-CB 3.32Å; C237-C248 CovalentContact SG-SG 2.04Å; C237-C248 PolarHBondContact SG-SG 3.39Å; W241-C248 HydrophobicContact CB-CB 4.07Å; A242-C248 CarbonylContact O-C 3.5Å; A242-C248 WeakPolarHBondContact O-CA 3.34Å
249	G	95.7	Very high	95.8	Very high	5 Å²	5	28.1 Å²	28.1	5%	0.052	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	165.5	171	0	0	0	0	0	111.8	W241 A242	W241-G249 CarbonylContact C-O 3.46Å; W241-G249 WeakPolarHBondContact CA-O 3.45Å; W241-G249 VanDerWaalsContact CB-O 3.29Å; W241-G249 WeakPolarHBondContact CB-O 3.01Å; W241-G249 VanDerWaalsContact CE3-C 3.47Å; W241-G249 VanDerWaalsContact CE3-O 3.31Å; A242-G249 PolarHBondContact N-O 2.92Å; A242-G249 PolarHBondContact O-N 2.86Å
250	S	96.7	Very high	95.9	Very high	54 Å²	54	31.7 Å²	31.7	38%	0.378	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	142.3	169.6	177.2	0	0	0	0	109.5	P258 D259	S250-P258 CarbonylContact O-C 3.49Å; S250-P258 VanDerWaalsContact O-CA 3.3Å; S250-P258 WeakPolarHBondContact O-CA 3.31Å; S250-D259 WeakPolarHBondContact CB-OD2 3.25Å; S250-D259 VanDerWaalsContact O-CG 3.27Å; S250-D259 PolarHBondContact O-N 2.88Å; S250-D259 PolarHBondContact OG-OD2 3.33Å
251	D	97.4	Very high	96	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.027	19%	0.189	C	C	.	.			trans	-137.8	100.5	177.7	171.1	1.2	0	0	0	106.1	G240 A242 I254 D255 G256	G240-D251 CarbonylContact C-O 3.57Å; G240-D251 WeakPolarHBondContact CA-O 3.43Å; G240-D251 PolarHBondContact O-N 2.93Å; G240-D251 VanDerWaalsContact O-N 3.15Å; A242-D251 HydrophobicContact CB-CB 3.75Å; D251-I254 WeakPolarHBondContact OD1-CA 3.49Å; D251-I254 PolarHBondContact OD1-N 2.87Å; D251-I254 WeakPolarHBondContact OD2-CA 3.29Å; D251-D255 PolarHBondContact OD1-N 3.15Å; D251-G256 PolarHBondContact OD2-N 2.97Å; D251-G256 VanDerWaalsContact OD2-N 3.15Å
252	I	96.2	Very high	95.9	Very high	99 Å²	99	36.5 Å²	36.5	51%	0.508	18%	0.181	S	C	.	.	S	Bend	trans	-76.5	-40.5	-169.3	-73	166.7	0	0	0	111.8	D259	I252-D259 WeakPolarHBondContact CD1-OD2 3.29Å; I252-D259 WeakPolarHBondContact CG1-OD2 3.47Å; I252-D259 PolarHBondContact N-OD1 2.75Å; I252-D259 VanDerWaalsContact N-OD1 3.11Å
253	D	97.1	Very high	95.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-99.6	-1.3	-175.9	57.4	5.4	0	0	0	113.6	D255 T276 V277 P278 T571 S667	D253-D255 PolarHBondContact O-N 2.61Å; D253-T276 VanDerWaalsContact OD2-C 3.25Å; D253-T276 WeakPolarHBondContact OD2-CA 3.16Å; D253-T276 PolarHBondContact OD2-N 3.26Å; D253-T276 VanDerWaalsContact OD2-N 3.15Å; D253-V277 VanDerWaalsContact OD2-C 3.26Å; D253-V277 PolarHBondContact OD2-N 3.09Å; D253-P278 HydrophobicContact CB-CG 3.98Å; D253-T571 VanDerWaalsContact O-CG2 3.26Å; D253-T571 WeakPolarHBondContact O-CG2 3.37Å; D253-S667 VanDerWaalsContact CA-OG 3.24Å; D253-S667 WeakPolarHBondContact CA-OG 3.47Å; D253-S667 WeakPolarHBondContact O-CB 3.49Å; D253-S667 PolarHBondContact O-OG 2.97Å
254	I	97.1	Very high	95.7	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.221	C	C	.	.			trans	66.3	33.7	165.3	-34.3	175	0	0	0	112.6	V239 D251 T571 R669	V239-I254 HydrophobicContact CG1-CD1 4.32Å; V239-I254 HydrophobicContact CG1-CG2 3.98Å; D251-I254 WeakPolarHBondContact OD1-CA 3.49Å; D251-I254 PolarHBondContact OD1-N 2.87Å; D251-I254 WeakPolarHBondContact OD2-CA 3.29Å; I254-T571 HydrophobicContact CB-CG2 3.99Å; I254-T571 WeakPolarHBondContact O-CB 3.42Å; I254-T571 PolarHBondContact O-OG1 2.87Å; I254-R669 HydrophobicContact CD1-CB 4.37Å; I254-R669 HydrophobicContact CG2-CB 4.07Å; I254-R669 HydrophobicContact CG2-CG 4.49Å
255	D	96.7	Very high	95.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.255	C	S	.	.	S	Bend	trans	-90.9	-5	178.3	73.4	4.1	0	0	0	113.4	D251 D253 F257 P278 N279 S280 Q282 N722	D251-D255 PolarHBondContact OD1-N 3.15Å; D253-D255 PolarHBondContact O-N 2.61Å; D255-F257 PolarHBondContact OD1-N 3.27Å; D255-P278 HydrophobicContact CB-CB 4.02Å; D255-N279 PolarHBondContact OD2-N 3.37Å; D255-N279 PolarHBondContact OD2-OD1 3.46Å; D255-S280 WeakPolarHBondContact O-CB 3.46Å; D255-Q282 PolarHBondContact OD2-OE1 3.36Å; D255-N722 VanDerWaalsContact O-CB 3.31Å; D255-N722 WeakPolarHBondContact O-CB 3.35Å; D255-N722 VanDerWaalsContact O-CG 3.29Å; D255-N722 PolarHBondContact O-ND2 2.03Å
256	G	95.8	Very high	95.6	Very high	13 Å²	13	53.1 Å²	53.1	13%	0.134	28%	0.275	C	S	.	.	S	Bend	trans	95.6	7.2	179.2	0	0	0	0	0	114.6	A242 D251	A242-G256 VanDerWaalsContact CB-C 3.44Å; A242-G256 WeakPolarHBondContact CB-O 3.2Å; D251-G256 PolarHBondContact OD2-N 2.97Å; D251-G256 VanDerWaalsContact OD2-N 3.15Å
257	F	97.4	Very high	95.6	Very high	17 Å²	17	54.8 Å²	54.8	8%	0.075	28%	0.28	C	S	.	.			trans	-112.9	136	170.3	-71.1	-98.4	0	0	0	111.5	A242 D255 R267 D272 S280 Q282	A242-F257 VanDerWaalsContact CB-C 3.46Å; D255-F257 PolarHBondContact OD1-N 3.27Å; F257-R267 HydrophobicContact CE1-CG 3.82Å; F257-R267 VanDerWaalsContact CE1-O 3.26Å; F257-R267 WeakPolarHBondContact CE1-O 3.4Å; F257-R267 HydrophobicContact CZ-CG 3.94Å; F257-D272 HydrophobicContact CB-CB 3.78Å; F257-S280 VanDerWaalsContact CE2-O 3.22Å; F257-S280 WeakPolarHBondContact CE2-O 3.2Å; F257-Q282 HydrophobicContact CD1-CG 3.65Å; F257-Q282 HydrophobicContact CD2-CG 3.64Å; F257-Q282 HydrophobicContact CE1-CG 3.52Å; F257-Q282 HydrophobicContact CE2-CG 3.55Å; F257-Q282 VanDerWaalsContact CG-CD 3.45Å; F257-Q282 HydrophobicContact CG-CG 3.7Å; F257-Q282 HydrophobicContact CZ-CG 3.47Å; F257-Q282 VanDerWaalsContact CZ-CG 3.47Å
258	P	97.4	Very high	95.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.			trans	-79.9	144.3	-177.6	29.4	-35	0	0	0	112	A242 S250 E260 Q262 N268 A270 D272	A242-P258 HydrophobicContact CB-CB 4.07Å; A242-P258 HydrophobicContact CB-CG 4.37Å; S250-P258 CarbonylContact O-C 3.49Å; S250-P258 VanDerWaalsContact O-CA 3.3Å; S250-P258 WeakPolarHBondContact O-CA 3.31Å; P258-E260 WeakPolarHBondContact CB-O 3.12Å; P258-E260 PolarHBondContact O-N 3.31Å; P258-Q262 HydrophobicContact CB-CG 4.06Å; P258-Q262 HydrophobicContact CG-CG 3.77Å; P258-N268 WeakPolarHBondContact CD-O 3.04Å; P258-A270 WeakPolarHBondContact CD-O 3.04Å; P258-A270 VanDerWaalsContact CG-O 3.3Å; P258-A270 WeakPolarHBondContact CG-O 3.48Å; P258-D272 PolarHBondContact O-N 2.8Å
259	D	96.9	Very high	95.4	Very high	17 Å²	17	53 Å²	53	9%	0.091	28%	0.275	C	S	.	.	S	Bend	trans	-54.3	-28.4	178.8	-48.3	-30.3	0	0	0	112.9	S250 I252 K271	S250-D259 WeakPolarHBondContact CB-OD2 3.25Å; S250-D259 VanDerWaalsContact O-CG 3.27Å; S250-D259 PolarHBondContact O-N 2.88Å; S250-D259 PolarHBondContact OG-OD2 3.33Å; I252-D259 WeakPolarHBondContact CD1-OD2 3.29Å; I252-D259 WeakPolarHBondContact CG1-OD2 3.47Å; I252-D259 PolarHBondContact N-OD1 2.75Å; I252-D259 VanDerWaalsContact N-OD1 3.11Å; D259-K271 WeakPolarHBondContact O-CE 3.49Å; D259-K271 WeakPolarHBondContact O-CG 3.49Å
260	E	96.2	Very high	95.4	Very high	115 Å²	115	54.8 Å²	54.8	54%	0.537	29%	0.288	S	S	.	.	S	Bend	trans	-132.4	145.6	178.1	-70.3	-64.2	163.3	0	0	110.4	P258 Q262 K271	P258-E260 WeakPolarHBondContact CB-O 3.12Å; P258-E260 PolarHBondContact O-N 3.31Å; E260-Q262 PolarHBondContact O-N 2.97Å; E260-Q262 PolarHBondContact O-NE2 3.46Å; E260-K271 IonicContact OE1-NZ 3.79Å
261	K	96.3	Very high	95.4	Very high	156 Å²	156	56.4 Å²	56.4	68%	0.678	29%	0.289	S	S	*	.			trans	-59.6	131.4	-179.2	-177.9	170.5	-177.6	164	0	112	K271	K261-K271 HydrophobicContact CB-CB 4.14Å
262	Q	96.1	Very high	95.5	Very high	43 Å²	43	56.3 Å²	56.3	20%	0.201	29%	0.288	C	S	.	.			trans	-93.6	163.6	178.4	-58.4	-54.6	-53.2	0	0	112.8	P258 E260 C264 C269	P258-Q262 HydrophobicContact CB-CG 4.06Å; P258-Q262 HydrophobicContact CG-CG 3.77Å; E260-Q262 PolarHBondContact O-N 2.97Å; E260-Q262 PolarHBondContact O-NE2 3.46Å; Q262-C264 VanDerWaalsContact CB-SG 3.57Å; Q262-C264 PolarHBondContact O-N 2.91Å; Q262-C269 HydrophobicContact CB-CB 4.04Å; Q262-C269 PolarHBondContact N-O 3.5Å
263	E	93.4	Very high	95.6	Very high	171 Å²	171	53 Å²	53	80%	0.799	27%	0.271	S	S	*	.	S	Bend	trans	-80.4	42.8	-179.7	-62.8	-170.9	171.2	0	0	113	F247	F247-E263 HydrophobicContact CD1-CB 4.41Å; F247-E263 HydrophobicContact CE1-CB 4.36Å
264	C	93.1	Very high	95.6	Very high	21 Å²	21	53.1 Å²	53.1	14%	0.142	27%	0.273	C	S	.	.	S	Bend	trans	-135.6	161	179.4	36.1	0	0	0	0	110.7	N244 F247 Q262 E266 C269	N244-C264 WeakPolarHBondContact ND2-CB 3.4Å; F247-C264 HydrophobicContact CD2-CB 4.21Å; Q262-C264 VanDerWaalsContact CB-SG 3.57Å; Q262-C264 PolarHBondContact O-N 2.91Å; C264-E266 VanDerWaalsContact CB-OE2 3.25Å; C264-E266 WeakPolarHBondContact CB-OE2 3.26Å; C264-C269 HydrophobicContact CB-CB 3.84Å; C264-C269 WeakPolarHBondContact CB-SG 3.44Å; C264-C269 WeakPolarHBondContact SG-CB 3.01Å; C264-C269 CovalentContact SG-SG 2.02Å; C264-C269 PolarHBondContact SG-SG 3.4Å
265	A	92	Very high	95.5	Very high	103 Å²	103	56.9 Å²	56.9	85%	0.851	29%	0.29	S	S	*	.			trans	-98	-18.4	-169.6	0	0	0	0	0	112.9
266	E	92.9	Very high	95.5	Very high	92 Å²	92	61.4 Å²	61.4	43%	0.43	32%	0.318	S	S	.	.	S	Bend	trans	-63.2	153.4	-179.2	-59.8	91.1	142.4	0	0	111.5	N244 C264 N268 C269	N244-E266 HydrophobicContact CB-CG 4.45Å; N244-E266 PolarHBondContact ND2-OE1 3.27Å; C264-E266 VanDerWaalsContact CB-OE2 3.25Å; C264-E266 WeakPolarHBondContact CB-OE2 3.26Å; E266-N268 VanDerWaalsContact C-N 3.34Å; E266-N268 WeakPolarHBondContact CB-OD1 3.08Å; E266-N268 PolarHBondContact O-N 2.85Å; E266-C269 WeakPolarHBondContact O-CB 3.43Å; E266-C269 PolarHBondContact O-N 3.48Å
267	R	92.3	Very high	95.5	Very high	138 Å²	138	61.4 Å²	61.4	52%	0.521	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.5	-43.7	-175.4	180	179.7	175.9	-162.5	-0.2	111.9	F257 C269 A270 G281	F257-R267 HydrophobicContact CE1-CG 3.82Å; F257-R267 VanDerWaalsContact CE1-O 3.26Å; F257-R267 WeakPolarHBondContact CE1-O 3.4Å; F257-R267 HydrophobicContact CZ-CG 3.94Å; R267-C269 PolarHBondContact O-N 2.84Å; R267-A270 WeakPolarHBondContact O-CB 3.04Å; R267-A270 PolarHBondContact O-N 3.47Å; R267-G281 PolarHBondContact NH2-O 2.83Å
268	N	91.1	Very high	95.6	Very high	58 Å²	58	60.6 Å²	60.6	31%	0.31	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-66.6	1.5	176.6	62.7	-13.4	0	0	0	114.6	G243 P258 E266	G243-N268 VanDerWaalsContact CA-O 3.29Å; G243-N268 WeakPolarHBondContact CA-O 3.43Å; G243-N268 PolarHBondContact N-O 3.06Å; G243-N268 PolarHBondContact O-ND2 2.84Å; P258-N268 WeakPolarHBondContact CD-O 3.04Å; E266-N268 VanDerWaalsContact C-N 3.34Å; E266-N268 WeakPolarHBondContact CB-OD1 3.08Å; E266-N268 PolarHBondContact O-N 2.85Å
269	C	95.8	Very high	95.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.007	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-102.7	-6.6	170.7	-66.6	0	0	0	0	113.3	Q262 C264 E266 R267	Q262-C269 HydrophobicContact CB-CB 4.04Å; Q262-C269 PolarHBondContact N-O 3.5Å; C264-C269 HydrophobicContact CB-CB 3.84Å; C264-C269 WeakPolarHBondContact CB-SG 3.44Å; C264-C269 WeakPolarHBondContact SG-CB 3.01Å; C264-C269 CovalentContact SG-SG 2.02Å; C264-C269 PolarHBondContact SG-SG 3.4Å; E266-C269 WeakPolarHBondContact O-CB 3.43Å; E266-C269 PolarHBondContact O-N 3.48Å; R267-C269 PolarHBondContact O-N 2.84Å
270	A	96.3	Very high	95.6	Very high	41 Å²	41	60 Å²	60	34%	0.339	31%	0.309	S	S	.	.	S	Bend	trans	-63.7	155.4	173.8	0	0	0	0	0	110.3	P258 R267 D272	P258-A270 WeakPolarHBondContact CD-O 3.04Å; P258-A270 VanDerWaalsContact CG-O 3.3Å; P258-A270 WeakPolarHBondContact CG-O 3.48Å; R267-A270 WeakPolarHBondContact O-CB 3.04Å; R267-A270 PolarHBondContact O-N 3.47Å; A270-D272 PolarHBondContact O-N 2.94Å
271	K	97.1	Very high	95.6	Very high	89 Å²	89	54.8 Å²	54.8	39%	0.387	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-69.6	134	173.1	-177.1	-178.5	169.5	157.1	0	108.1	D259 E260 K261 N273	D259-K271 WeakPolarHBondContact O-CE 3.49Å; D259-K271 WeakPolarHBondContact O-CG 3.49Å; E260-K271 IonicContact OE1-NZ 3.79Å; K261-K271 HydrophobicContact CB-CB 4.14Å; K271-N273 PolarHBondContact O-N 2.74Å
272	D	98.3	Very high	95.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.011	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-60.5	129.2	169.3	179.6	11.8	0	0	0	112	F257 P258 A270 C274 Q275 N279 Q282	F257-D272 HydrophobicContact CB-CB 3.78Å; P258-D272 PolarHBondContact O-N 2.8Å; A270-D272 PolarHBondContact O-N 2.94Å; D272-C274 PolarHBondContact OD1-N 2.92Å; D272-C274 VanDerWaalsContact OD2-C 3.24Å; D272-Q275 WeakPolarHBondContact OD2-CA 3.44Å; D272-Q275 PolarHBondContact OD2-N 2.92Å; D272-N279 PolarHBondContact OD1-OD1 2.89Å; D272-Q282 PolarHBondContact OD1-NE2 3.02Å; D272-Q282 PolarHBondContact OD1-OE1 2.89Å
273	N	97.6	Very high	95.7	Very high	29 Å²	29	49.5 Å²	49.5	16%	0.155	26%	0.263	C	S	.	.	S	Bend	trans	-83.1	-10.1	177.3	66.7	-2.2	0	0	0	113.6	K271 N279 Q282 G289 G291 C294	K271-N273 PolarHBondContact O-N 2.74Å; N273-N279 PolarHBondContact OD1-ND2 2.86Å; N273-Q282 PolarHBondContact ND2-O 2.77Å; N273-Q282 PolarHBondContact OD1-NE2 3.38Å; N273-G289 WeakPolarHBondContact CB-O 3.09Å; N273-G291 VanDerWaalsContact ND2-CA 3.28Å; N273-G291 WeakPolarHBondContact ND2-CA 3.47Å; N273-G291 PolarHBondContact O-N 3.21Å; N273-C294 PolarHBondContact O-SG 3.32Å
274	C	97.3	Very high	95.9	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.034	24%	0.235	C	C	.	.	S	Bend	trans	-139.3	51.4	175.3	-73.3	0	0	0	0	115.1	D272 T276 V277 N279 G291 C294	D272-C274 PolarHBondContact OD1-N 2.92Å; D272-C274 VanDerWaalsContact OD2-C 3.24Å; C274-T276 PolarHBondContact O-N 2.79Å; C274-V277 PolarHBondContact O-N 3.08Å; C274-N279 WeakPolarHBondContact CB-OD1 3.35Å; C274-G291 VanDerWaalsContact SG-C 3.54Å; C274-G291 WeakPolarHBondContact SG-CA 3.14Å; C274-G291 PolarHBondContact SG-N 3.44Å; C274-G291 VanDerWaalsContact SG-N 3.44Å; C274-G291 PolarHBondContact SG-O 3.04Å; C274-C294 WeakPolarHBondContact CA-SG 3.49Å; C274-C294 HydrophobicContact CB-CB 3.79Å; C274-C294 WeakPolarHBondContact CB-SG 3.18Å; C274-C294 WeakPolarHBondContact SG-CB 3.39Å; C274-C294 PolarHBondContact SG-N 2.97Å; C274-C294 CovalentContact SG-SG 2.04Å; C274-C294 PolarHBondContact SG-SG 3.13Å
275	Q	96.1	Very high	96	Very high	83 Å²	83	44.3 Å²	44.3	39%	0.388	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-18.8	-21.9	176.4	-79	171.2	66.9	0	0	123.2	D272	D272-Q275 WeakPolarHBondContact OD2-CA 3.44Å; D272-Q275 PolarHBondContact OD2-N 2.92Å
276	T	95.9	Very high	96.2	Very high	95 Å²	95	42.1 Å²	42.1	58%	0.583	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.8	-4.9	-178.8	60.7	0	0	0	0	114.2	D253 C274 H573	D253-T276 VanDerWaalsContact OD2-C 3.25Å; D253-T276 WeakPolarHBondContact OD2-CA 3.16Å; D253-T276 PolarHBondContact OD2-N 3.26Å; D253-T276 VanDerWaalsContact OD2-N 3.15Å; C274-T276 PolarHBondContact O-N 2.79Å; T276-H573 PolarHBondContact O-CE1 2.86Å
277	V	97.2	Very high	96.4	Very high	13 Å²	13	46 Å²	46	8%	0.079	24%	0.235	C	C	.	.	S	Bend	trans	-122.7	109	-177.9	178.4	0	0	0	0	105.9	D253 C274 N279 A293 I719	D253-V277 VanDerWaalsContact OD2-C 3.26Å; D253-V277 PolarHBondContact OD2-N 3.09Å; C274-V277 PolarHBondContact O-N 3.08Å; V277-N279 PolarHBondContact O-N 2.92Å; V277-N279 VanDerWaalsContact O-N 3.13Å; V277-N279 PolarHBondContact O-OD1 3.07Å; V277-A293 HydrophobicContact CG1-CB 4.06Å; V277-I719 HydrophobicContact CG1-CD1 4.03Å
278	P	98	Very high	96.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.233	C	C	.	.			trans	-55.6	122.5	-178.1	-20.5	28.1	0	0	0	110.7	D253 D255 T571 H573 S667 I719 A721	D253-P278 HydrophobicContact CB-CG 3.98Å; D255-P278 HydrophobicContact CB-CB 4.02Å; P278-T571 HydrophobicContact CG-CG2 4.34Å; P278-H573 WeakPolarHBondContact CD-ND1 3.35Å; P278-H573 HydrophobicContact CG-CB 3.63Å; P278-S667 WeakPolarHBondContact CG-OG 3.46Å; P278-I719 HydrophobicContact CB-CG2 4.27Å; P278-A721 HydrophobicContact CB-CB 3.48Å; P278-A721 VanDerWaalsContact CB-CB 3.48Å
279	N	97.4	Very high	96.8	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.241	C	C	.	.			trans	-145.5	68.5	176.9	69.3	-44.9	0	0	0	108.8	D255 D272 N273 C274 V277 G281 Q282 A293 E545	D255-N279 PolarHBondContact OD2-N 3.37Å; D255-N279 PolarHBondContact OD2-OD1 3.46Å; D272-N279 PolarHBondContact OD1-OD1 2.89Å; N273-N279 PolarHBondContact OD1-ND2 2.86Å; C274-N279 WeakPolarHBondContact CB-OD1 3.35Å; V277-N279 PolarHBondContact O-N 2.92Å; V277-N279 VanDerWaalsContact O-N 3.13Å; V277-N279 PolarHBondContact O-OD1 3.07Å; N279-G281 PolarHBondContact O-N 2.81Å; N279-Q282 WeakPolarHBondContact O-CA 3.4Å; N279-Q282 PolarHBondContact O-N 2.84Å; N279-Q282 PolarHBondContact O-OE1 3.26Å; N279-A293 HydrophobicContact CB-CB 3.61Å; N279-E545 WeakPolarHBondContact CA-OE2 3.37Å
280	S	97.1	Very high	96.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.2	-170.9	52.7	0	0	0	0	115	D255 F257 E545 N722	D255-S280 WeakPolarHBondContact O-CB 3.46Å; F257-S280 VanDerWaalsContact CE2-O 3.22Å; F257-S280 WeakPolarHBondContact CE2-O 3.2Å; S280-E545 PolarHBondContact N-OE2 3.48Å; S280-E545 PolarHBondContact OG-OE2 3.46Å; S280-N722 PolarHBondContact OG-N 3.37Å
281	G	96.6	Very high	96.9	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-14.1	170.9	0	0	0	0	0	114.5	R267 N279 E283 D541	R267-G281 PolarHBondContact NH2-O 2.83Å; N279-G281 PolarHBondContact O-N 2.81Å; G281-E283 WeakPolarHBondContact CA-OE1 3.19Å; G281-E283 WeakPolarHBondContact CA-OE2 3.44Å; G281-E283 PolarHBondContact O-N 2.89Å; G281-D541 WeakPolarHBondContact CA-OD1 3.4Å
282	Q	97.4	Very high	96.9	Very high	28 Å²	28	41.8 Å²	41.8	13%	0.131	23%	0.232	C	C	.	.			trans	47.2	34.6	-175	-51.4	-64.2	135.5	0	0	113.2	D255 F257 D272 N273 N279	D255-Q282 PolarHBondContact OD2-OE1 3.36Å; F257-Q282 HydrophobicContact CD1-CG 3.65Å; F257-Q282 HydrophobicContact CD2-CG 3.64Å; F257-Q282 HydrophobicContact CE1-CG 3.52Å; F257-Q282 HydrophobicContact CE2-CG 3.55Å; F257-Q282 VanDerWaalsContact CG-CD 3.45Å; F257-Q282 HydrophobicContact CG-CG 3.7Å; F257-Q282 HydrophobicContact CZ-CG 3.47Å; F257-Q282 VanDerWaalsContact CZ-CG 3.47Å; D272-Q282 PolarHBondContact OD1-NE2 3.02Å; D272-Q282 PolarHBondContact OD1-OE1 2.89Å; N273-Q282 PolarHBondContact ND2-O 2.77Å; N273-Q282 PolarHBondContact OD1-NE2 3.38Å; N279-Q282 WeakPolarHBondContact O-CA 3.4Å; N279-Q282 PolarHBondContact O-N 2.84Å; N279-Q282 PolarHBondContact O-OE1 3.26Å
283	E	96.7	Very high	96.8	Very high	61 Å²	61	43.9 Å²	43.9	29%	0.285	25%	0.25	S	C	.	.			trans	-58	139.2	176.1	-63.9	83.7	174.5	0	0	110.2	G281 G291 D292 D541	G281-E283 WeakPolarHBondContact CA-OE1 3.19Å; G281-E283 WeakPolarHBondContact CA-OE2 3.44Å; G281-E283 PolarHBondContact O-N 2.89Å; E283-G291 CarbonylContact O-C 3.55Å; E283-G291 VanDerWaalsContact O-CA 3.26Å; E283-G291 WeakPolarHBondContact O-CA 3.47Å; E283-D292 VanDerWaalsContact CB-OD2 3.29Å; E283-D292 WeakPolarHBondContact CB-OD2 3.47Å; E283-D292 PolarHBondContact O-N 3.15Å; E283-D541 PolarHBondContact OE1-N 2.89Å
284	D	96.9	Very high	96.7	Very high	37 Å²	37	45 Å²	45	20%	0.198	26%	0.259	C	S	.	.			trans	-157.6	90	-172.2	174.8	-1.9	0	0	0	106.5	K287 D288 G289 I290 D292	D284-K287 WeakPolarHBondContact OD1-CA 3Å; D284-K287 PolarHBondContact OD1-N 3.43Å; D284-K287 WeakPolarHBondContact OD2-CA 3Å; D284-D288 PolarHBondContact OD1-N 2.03Å; D284-G289 WeakPolarHBondContact OD2-CA 3.43Å; D284-G289 PolarHBondContact OD2-N 2.04Å; D284-I290 VanDerWaalsContact CG-O 3.3Å; D284-D292 VanDerWaalsContact CA-OD1 3.29Å; D284-D292 WeakPolarHBondContact CA-OD1 3.3Å
285	A	96.6	Very high	96.7	Very high	46 Å²	46	46 Å²	46	38%	0.38	26%	0.264	S	S	.	.	S	Bend	trans	-69.4	-41.2	-168.1	0	0	0	0	0	112.2	D292 A298	A285-D292 PolarHBondContact N-OD1 2.86Å; A285-A298 WeakPolarHBondContact CB-O 3.5Å
286	D	96.3	Very high	96.7	Very high	56 Å²	56	49.1 Å²	49.1	30%	0.299	28%	0.279	S	S	.	.	S	Bend	trans	-90.8	-14.2	-178.9	90.5	-17.6	0	0	0	114.2	D288 A298 D299	D286-D288 VanDerWaalsContact OD1-CB 3.28Å; D286-D288 WeakPolarHBondContact OD1-CB 3.3Å; D286-D288 PolarHBondContact OD1-N 3.48Å; D286-A298 PolarHBondContact N-O 2.81Å; D286-D299 WeakPolarHBondContact CB-O 3.2Å
287	K	96.8	Very high	96.8	Very high	173 Å²	173	46.2 Å²	46.2	75%	0.752	26%	0.259	S	S	*	.			trans	66.3	32	178.3	-56.7	-179.9	-177.7	176.4	0	113.9	D284 G289	D284-K287 WeakPolarHBondContact OD1-CA 3Å; D284-K287 PolarHBondContact OD1-N 3.43Å; D284-K287 WeakPolarHBondContact OD2-CA 3Å; K287-G289 VanDerWaalsContact C-N 3.26Å
288	D	96.3	Very high	96.8	Very high	89 Å²	89	45.6 Å²	45.6	48%	0.476	26%	0.256	S	S	.	.	S	Bend	trans	-78.7	-13.2	174.3	92.9	-12.7	0	0	0	113.1	D284 D286 I290	D284-D288 PolarHBondContact OD1-N 2.03Å; D286-D288 VanDerWaalsContact OD1-CB 3.28Å; D286-D288 WeakPolarHBondContact OD1-CB 3.3Å; D286-D288 PolarHBondContact OD1-N 3.48Å; D288-I290 WeakPolarHBondContact OD1-CA 3.3Å; D288-I290 VanDerWaalsContact OD1-CB 3.25Å; D288-I290 WeakPolarHBondContact OD1-CB 3.23Å; D288-I290 WeakPolarHBondContact OD1-CG1 2.99Å; D288-I290 PolarHBondContact OD1-N 3.46Å
289	G	95.2	Very high	96.7	Very high	47 Å²	47	45.9 Å²	45.9	49%	0.485	26%	0.257	S	S	.	.	S	Bend	trans	96	4.4	179.2	0	0	0	0	0	114.9	N273 D284 K287	N273-G289 WeakPolarHBondContact CB-O 3.09Å; D284-G289 WeakPolarHBondContact OD2-CA 3.43Å; D284-G289 PolarHBondContact OD2-N 2.04Å; K287-G289 VanDerWaalsContact C-N 3.26Å
290	I	97.6	Very high	96.7	Very high	70 Å²	70	47.7 Å²	47.7	36%	0.359	28%	0.277	S	S	.	.	S	Bend	trans	-95.7	135.3	163.8	-55	175.5	0	0	0	106.6	D284 D288 D295	D284-I290 VanDerWaalsContact CG-O 3.3Å; D288-I290 WeakPolarHBondContact OD1-CA 3.3Å; D288-I290 VanDerWaalsContact OD1-CB 3.25Å; D288-I290 WeakPolarHBondContact OD1-CB 3.23Å; D288-I290 WeakPolarHBondContact OD1-CG1 2.99Å; D288-I290 PolarHBondContact OD1-N 3.46Å; I290-D295 HydrophobicContact CG2-CB 3.89Å
291	G	97.2	Very high	96.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.			trans	-81	153.2	179.9	0	0	0	0	0	112.5	N273 C274 E283 A293 C294 D295	N273-G291 VanDerWaalsContact ND2-CA 3.28Å; N273-G291 WeakPolarHBondContact ND2-CA 3.47Å; N273-G291 PolarHBondContact O-N 3.21Å; C274-G291 VanDerWaalsContact SG-C 3.54Å; C274-G291 WeakPolarHBondContact SG-CA 3.14Å; C274-G291 PolarHBondContact SG-N 3.44Å; C274-G291 VanDerWaalsContact SG-N 3.44Å; C274-G291 PolarHBondContact SG-O 3.04Å; E283-G291 CarbonylContact O-C 3.55Å; E283-G291 VanDerWaalsContact O-CA 3.26Å; E283-G291 WeakPolarHBondContact O-CA 3.47Å; G291-A293 PolarHBondContact O-N 2.7Å; G291-C294 CarbonylContact O-C 3.55Å; G291-C294 PolarHBondContact O-N 3.11Å; G291-D295 PolarHBondContact O-N 3.27Å
292	D	97	Very high	96.7	Very high	34 Å²	34	51.5 Å²	51.5	18%	0.182	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.7	-177.1	-63.7	-16.2	0	0	0	112.3	E283 D284 A285 C294 A298 L312	E283-D292 VanDerWaalsContact CB-OD2 3.29Å; E283-D292 WeakPolarHBondContact CB-OD2 3.47Å; E283-D292 PolarHBondContact O-N 3.15Å; D284-D292 VanDerWaalsContact CA-OD1 3.29Å; D284-D292 WeakPolarHBondContact CA-OD1 3.3Å; A285-D292 PolarHBondContact N-OD1 2.86Å; D292-C294 VanDerWaalsContact C-N 3.25Å; D292-C294 PolarHBondContact O-N 2.79Å; D292-A298 HydrophobicContact CB-CB 4.42Å; D292-L312 HydrophobicContact CB-CD2 4.22Å
293	A	95.9	Very high	96.7	Very high	46 Å²	46	51.7 Å²	51.7	38%	0.38	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20	-178.7	0	0	0	0	0	114.6	V277 N279 G291	V277-A293 HydrophobicContact CG1-CB 4.06Å; N279-A293 HydrophobicContact CB-CB 3.61Å; G291-A293 PolarHBondContact O-N 2.7Å
294	C	95.8	Very high	96.7	Very high	52 Å²	52	52.4 Å²	52.4	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	7.3	-178.2	69.8	0	0	0	0	113.9	N273 C274 G291 D292	N273-C294 PolarHBondContact O-SG 3.32Å; C274-C294 WeakPolarHBondContact CA-SG 3.49Å; C274-C294 HydrophobicContact CB-CB 3.79Å; C274-C294 WeakPolarHBondContact CB-SG 3.18Å; C274-C294 WeakPolarHBondContact SG-CB 3.39Å; C274-C294 PolarHBondContact SG-N 2.97Å; C274-C294 CovalentContact SG-SG 2.04Å; C274-C294 PolarHBondContact SG-SG 3.13Å; G291-C294 CarbonylContact O-C 3.55Å; G291-C294 PolarHBondContact O-N 3.11Å; D292-C294 VanDerWaalsContact C-N 3.25Å; D292-C294 PolarHBondContact O-N 2.79Å
295	D	96.9	Very high	96.5	Very high	25 Å²	25	52.2 Å²	52.2	13%	0.134	32%	0.317	C	S	.	.			trans	-81.2	143.8	171.8	-152.4	-33.8	0	0	0	111.4	I290 G291 D297 A298 N305	I290-D295 HydrophobicContact CG2-CB 3.89Å; G291-D295 PolarHBondContact O-N 3.27Å; D295-D297 PolarHBondContact OD1-N 3.4Å; D295-A298 HydrophobicContact CB-CB 4.19Å; D295-N305 PolarHBondContact O-ND2 2.85Å
296	E	96.4	Very high	96.4	Very high	150 Å²	150	56.2 Å²	56.2	70%	0.701	34%	0.336	S	S	*	.	S	Bend	trans	-86	-19.5	172.4	-64.5	-170.9	169.3	0	0	112.6	L304 N305	E296-L304 HydrophobicContact CB-CD2 4.24Å; E296-L304 WeakPolarHBondContact O-CA 3.47Å; E296-N305 PolarHBondContact O-N 2.93Å; E296-N305 PolarHBondContact O-OD1 2.69Å
297	D	97.1	Very high	96.4	Very high	33 Å²	33	60.2 Å²	60.2	18%	0.176	35%	0.353	C	S	.	.	S	Bend	trans	-144.7	72.6	-177.3	178.9	9.1	0	0	0	108.5	D295 D299 G300 D301 G302 N305	D295-D297 PolarHBondContact OD1-N 3.4Å; D297-D299 PolarHBondContact O-N 2.78Å; D297-D299 VanDerWaalsContact O-N 3.15Å; D297-G300 PolarHBondContact O-N 3.32Å; D297-G300 WeakPolarHBondContact OD1-CA 3.37Å; D297-G300 PolarHBondContact OD1-N 3.2Å; D297-D301 PolarHBondContact OD1-N 2.81Å; D297-G302 WeakPolarHBondContact OD2-CA 3.49Å; D297-G302 PolarHBondContact OD2-N 3.01Å; D297-N305 WeakPolarHBondContact CA-OD1 3.34Å
298	A	97.1	Very high	96.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	-163.8	0	0	0	0	0	114	A285 D286 D292 D295 N305 V311 L312	A285-A298 WeakPolarHBondContact CB-O 3.5Å; D286-A298 PolarHBondContact N-O 2.81Å; D292-A298 HydrophobicContact CB-CB 4.42Å; D295-A298 HydrophobicContact CB-CB 4.19Å; A298-N305 PolarHBondContact N-OD1 2.84Å; A298-V311 HydrophobicContact CB-CG1 4.37Å; A298-L312 HydrophobicContact CB-CD2 4.19Å
299	D	97.1	Very high	96.4	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.043	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-4.4	178.3	78.4	6.3	0	0	0	114	D286 D297 D301 V313 P314	D286-D299 WeakPolarHBondContact CB-O 3.2Å; D297-D299 PolarHBondContact O-N 2.78Å; D297-D299 VanDerWaalsContact O-N 3.15Å; D299-D301 VanDerWaalsContact C-N 3.31Å; D299-D301 PolarHBondContact O-N 3.41Å; D299-D301 VanDerWaalsContact OD1-CB 3.27Å; D299-D301 WeakPolarHBondContact OD1-CB 3.34Å; D299-D301 PolarHBondContact OD1-N 2.88Å; D299-V313 PolarHBondContact OD2-N 2.9Å; D299-V313 VanDerWaalsContact OD2-O 3.12Å; D299-P314 HydrophobicContact CB-CG 3.89Å; D299-P314 WeakPolarHBondContact O-CG 3.33Å; D299-P314 WeakPolarHBondContact OD2-CA 3.25Å
300	G	96.8	Very high	96.4	Very high	41 Å²	41	47.6 Å²	47.6	42%	0.423	28%	0.283	S	S	.	.			trans	68	24.3	174.5	0	0	0	0	0	114.4	D297 G302	D297-G300 PolarHBondContact O-N 3.32Å; D297-G300 WeakPolarHBondContact OD1-CA 3.37Å; D297-G300 PolarHBondContact OD1-N 3.2Å; G300-G302 VanDerWaalsContact C-N 3.32Å
301	D	97.1	Very high	96.3	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.128	28%	0.281	C	S	.	.	S	Bend	trans	-83.6	-9.7	-178.9	98.9	-6.2	0	0	0	113.9	D297 D299 I303 P314 N315 V316	D297-D301 PolarHBondContact OD1-N 2.81Å; D299-D301 VanDerWaalsContact C-N 3.31Å; D299-D301 PolarHBondContact O-N 3.41Å; D299-D301 VanDerWaalsContact OD1-CB 3.27Å; D299-D301 WeakPolarHBondContact OD1-CB 3.34Å; D299-D301 PolarHBondContact OD1-N 2.88Å; D301-I303 WeakPolarHBondContact OD1-CB 3.22Å; D301-I303 VanDerWaalsContact OD1-CG1 3.24Å; D301-I303 WeakPolarHBondContact OD1-CG1 3.42Å; D301-I303 PolarHBondContact OD1-N 2.99Å; D301-P314 HydrophobicContact CB-CB 3.84Å; D301-N315 VanDerWaalsContact OD2-C 3.23Å; D301-N315 PolarHBondContact OD2-N 3.44Å; D301-N315 PolarHBondContact OD2-OD1 2.77Å; D301-V316 HydrophobicContact CB-CG2 4Å; D301-V316 WeakPolarHBondContact OD2-CA 3.48Å; D301-V316 PolarHBondContact OD2-N 3.14Å
302	G	96.2	Very high	96.2	Very high	62 Å²	62	51.5 Å²	51.5	64%	0.639	31%	0.306	S	S	*	.	S	Bend	trans	94.4	7.3	178.9	0	0	0	0	0	114.3	D297 G300	D297-G302 WeakPolarHBondContact OD2-CA 3.49Å; D297-G302 PolarHBondContact OD2-N 3.01Å; G300-G302 VanDerWaalsContact C-N 3.32Å
303	I	96.9	Very high	96.2	Very high	31 Å²	31	52.7 Å²	52.7	16%	0.159	31%	0.314	C	S	.	.	S	Bend	trans	-108.9	126.8	174.8	-57.4	176.2	0	0	0	107.9	D301 Q307 D308 Q318	D301-I303 WeakPolarHBondContact OD1-CB 3.22Å; D301-I303 VanDerWaalsContact OD1-CG1 3.24Å; D301-I303 WeakPolarHBondContact OD1-CG1 3.42Å; D301-I303 PolarHBondContact OD1-N 2.99Å; I303-Q307 HydrophobicContact CG2-CB 4.13Å; I303-D308 HydrophobicContact CB-CB 4.46Å; I303-D308 HydrophobicContact CG2-CB 3.88Å; I303-Q318 HydrophobicContact CD1-CG 3.37Å; I303-Q318 VanDerWaalsContact CD1-NE2 3.35Å
304	L	96.9	Very high	96.3	Very high	77 Å²	77	54.6 Å²	54.6	40%	0.403	32%	0.323	S	S	.	.			trans	-67	142.7	-179.2	-59.7	175.2	0	0	0	110.4	E296 T306 Q307 D308	E296-L304 HydrophobicContact CB-CD2 4.24Å; E296-L304 WeakPolarHBondContact O-CA 3.47Å; L304-T306 PolarHBondContact O-N 2.86Å; L304-Q307 WeakPolarHBondContact O-CA 3.12Å; L304-Q307 PolarHBondContact O-N 2.97Å; L304-D308 PolarHBondContact O-N 2.03Å; L304-D308 VanDerWaalsContact O-N 3.12Å
305	N	94.5	Very high	96.3	Very high	33 Å²	33	52.5 Å²	52.5	18%	0.176	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-46.7	-39.6	-178.5	-64	-10.7	0	0	0	113.3	D295 E296 D297 A298 Q307 D308 V311	D295-N305 PolarHBondContact O-ND2 2.85Å; E296-N305 PolarHBondContact O-N 2.93Å; E296-N305 PolarHBondContact O-OD1 2.69Å; D297-N305 WeakPolarHBondContact CA-OD1 3.34Å; A298-N305 PolarHBondContact N-OD1 2.84Å; N305-Q307 PolarHBondContact O-N 2.76Å; N305-D308 PolarHBondContact O-N 3.18Å; N305-V311 HydrophobicContact CB-CG1 3.97Å; N305-V311 HydrophobicContact CB-CG2 4.39Å
306	T	93.7	Very high	96.2	Very high	129 Å²	129	56.3 Å²	56.3	79%	0.791	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-66.8	-14	178.5	59.7	0	0	0	0	115.8	L304	L304-T306 PolarHBondContact O-N 2.86Å
307	Q	95.8	Very high	96.2	Very high	141 Å²	141	55 Å²	55	66%	0.659	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-118.9	-3.5	-179.6	-66.7	172.2	34.2	0	0	111.9	I303 L304 N305 Q318	I303-Q307 HydrophobicContact CG2-CB 4.13Å; L304-Q307 WeakPolarHBondContact O-CA 3.12Å; L304-Q307 PolarHBondContact O-N 2.97Å; N305-Q307 PolarHBondContact O-N 2.76Å; Q307-Q318 PolarHBondContact O-OE1 2.75Å
308	D	97	Very high	96.2	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.064	33%	0.332	C	S	.	.			trans	-95.7	125.2	-175.9	-164.8	-16	0	0	0	109.9	I303 L304 N305 C310 V311 N315 Q318	I303-D308 HydrophobicContact CB-CB 4.46Å; I303-D308 HydrophobicContact CG2-CB 3.88Å; L304-D308 PolarHBondContact O-N 2.03Å; L304-D308 VanDerWaalsContact O-N 3.12Å; N305-D308 PolarHBondContact O-N 3.18Å; D308-C310 VanDerWaalsContact C-N 3.29Å; D308-C310 PolarHBondContact OD1-N 3.26Å; D308-V311 HydrophobicContact CB-CG2 4.44Å; D308-N315 PolarHBondContact OD1-OD1 3.37Å; D308-Q318 PolarHBondContact OD1-NE2 2.02Å
309	N	95.8	Very high	96.2	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.15	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.2	172.6	62.4	12	0	0	0	113.9	N315 Q318 F326 G327 C330	N309-N315 PolarHBondContact OD1-ND2 3.32Å; N309-Q318 VanDerWaalsContact CG-OE1 3.26Å; N309-Q318 PolarHBondContact ND2-O 2.91Å; N309-Q318 PolarHBondContact OD1-OE1 3.49Å; N309-Q318 VanDerWaalsContact OD1-OE1 3.08Å; N309-F326 CarbonylContact O-C 3.33Å; N309-F326 WeakPolarHBondContact O-CA 3.37Å; N309-G327 VanDerWaalsContact CG-CA 3.48Å; N309-G327 PolarHBondContact O-N 3.33Å; N309-C330 PolarHBondContact O-SG 2.84Å
310	C	96.2	Very high	96.1	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.02	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.8	64.5	171.7	-70.8	0	0	0	0	112.1	D308 L312 V313 N315 G327 C330	D308-C310 VanDerWaalsContact C-N 3.29Å; D308-C310 PolarHBondContact OD1-N 3.26Å; C310-L312 PolarHBondContact O-N 2.87Å; C310-V313 HydrophobicContact CB-CB 4.34Å; C310-V313 WeakPolarHBondContact CB-O 3.45Å; C310-V313 PolarHBondContact O-N 2.85Å; C310-N315 HydrophobicContact CB-CB 4.35Å; C310-N315 WeakPolarHBondContact CB-ND2 3.05Å; C310-N315 PolarHBondContact SG-ND2 2.72Å; C310-N315 VanDerWaalsContact SG-ND2 3.37Å; C310-G327 WeakPolarHBondContact SG-CA 3.3Å; C310-G327 PolarHBondContact SG-N 2.92Å; C310-G327 PolarHBondContact SG-O 2.86Å; C310-C330 WeakPolarHBondContact CA-SG 3.3Å; C310-C330 HydrophobicContact CB-CB 3.71Å; C310-C330 WeakPolarHBondContact CB-SG 3.2Å; C310-C330 WeakPolarHBondContact SG-CB 3.11Å; C310-C330 PolarHBondContact SG-N 3.32Å; C310-C330 CovalentContact SG-SG 2.04Å; C310-C330 PolarHBondContact SG-SG 3.4Å
311	V	95.7	Very high	96.2	Very high	54 Å²	54	64.3 Å²	64.3	33%	0.327	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-30.5	-174.9	178.3	0	0	0	0	116.1	A298 N305 D308	A298-V311 HydrophobicContact CB-CG1 4.37Å; N305-V311 HydrophobicContact CB-CG1 3.97Å; N305-V311 HydrophobicContact CB-CG2 4.39Å; D308-V311 HydrophobicContact CB-CG2 4.44Å
312	L	95.5	Very high	96.1	Very high	98 Å²	98	64.2 Å²	64.2	51%	0.513	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	2	-176.4	-56.1	178.5	0	0	0	113.7	D292 A298 C310	D292-L312 HydrophobicContact CB-CD2 4.22Å; A298-L312 HydrophobicContact CB-CD2 4.19Å; C310-L312 PolarHBondContact O-N 2.87Å
313	V	96.3	Very high	96.1	Very high	60 Å²	60	68.5 Å²	68.5	36%	0.364	36%	0.363	S	S	.	.	S	Bend	trans	-138.7	111	-172.7	-176.9	0	0	0	0	111.2	D299 C310 N315 A329 C330	D299-V313 PolarHBondContact OD2-N 2.9Å; D299-V313 VanDerWaalsContact OD2-O 3.12Å; C310-V313 HydrophobicContact CB-CB 4.34Å; C310-V313 WeakPolarHBondContact CB-O 3.45Å; C310-V313 PolarHBondContact O-N 2.85Å; V313-N315 WeakPolarHBondContact O-CB 3.44Å; V313-N315 PolarHBondContact O-N 3.07Å; V313-A329 HydrophobicContact CG1-CB 4.33Å; V313-C330 HydrophobicContact CB-CB 4.16Å; V313-C330 HydrophobicContact CG2-CB 4.08Å
314	P	96.8	Very high	95.9	Very high	86 Å²	86	67.5 Å²	67.5	56%	0.558	36%	0.358	S	S	*	.			trans	-57.1	120.1	-170.2	-29.1	36.2	0	0	0	113.9	D299 D301	D299-P314 HydrophobicContact CB-CG 3.89Å; D299-P314 WeakPolarHBondContact O-CG 3.33Å; D299-P314 WeakPolarHBondContact OD2-CA 3.25Å; D301-P314 HydrophobicContact CB-CB 3.84Å
315	N	96.2	Very high	95.7	Very high	7 Å²	7	69.1 Å²	69.1	4%	0.037	37%	0.367	C	S	.	.			trans	-149.1	36.2	-171.1	80.5	-21.8	0	0	0	116.4	D301 D308 N309 C310 V313 N317 Q318 A329	D301-N315 VanDerWaalsContact OD2-C 3.23Å; D301-N315 PolarHBondContact OD2-N 3.44Å; D301-N315 PolarHBondContact OD2-OD1 2.77Å; D308-N315 PolarHBondContact OD1-OD1 3.37Å; N309-N315 PolarHBondContact OD1-ND2 3.32Å; C310-N315 HydrophobicContact CB-CB 4.35Å; C310-N315 WeakPolarHBondContact CB-ND2 3.05Å; C310-N315 PolarHBondContact SG-ND2 2.72Å; C310-N315 VanDerWaalsContact SG-ND2 3.37Å; V313-N315 WeakPolarHBondContact O-CB 3.44Å; V313-N315 PolarHBondContact O-N 3.07Å; N315-N317 CarbonylContact O-C 3.55Å; N315-N317 WeakPolarHBondContact O-CA 3.16Å; N315-N317 PolarHBondContact O-N 2.74Å; N315-Q318 PolarHBondContact O-N 3.08Å; N315-Q318 PolarHBondContact OD1-NE2 3.33Å; N315-A329 HydrophobicContact CB-CB 3.39Å
316	V	96.3	Very high	95.8	Very high	105 Å²	105	70.7 Å²	70.7	64%	0.636	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-17.4	-33.8	174.9	-171.1	0	0	0	0	119.4	D301	D301-V316 HydrophobicContact CB-CG2 4Å; D301-V316 WeakPolarHBondContact OD2-CA 3.48Å; D301-V316 PolarHBondContact OD2-N 3.14Å
317	N	95.1	Very high	95.9	Very high	124 Å²	124	64.6 Å²	64.6	66%	0.663	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.3	174.4	66.7	65.8	0	0	0	115	N315 R319	N315-N317 CarbonylContact O-C 3.55Å; N315-N317 WeakPolarHBondContact O-CA 3.16Å; N315-N317 PolarHBondContact O-N 2.74Å; N317-R319 PolarHBondContact O-N 3.31Å; N317-R319 VanDerWaalsContact O-N 3.07Å; N317-R319 WeakPolarHBondContact OD1-CB 3.32Å; N317-R319 PolarHBondContact OD1-N 2.66Å
318	Q	96.6	Very high	95.9	Very high	48 Å²	48	58.7 Å²	58.7	22%	0.224	31%	0.308	C	S	.	.			trans	49.9	31.7	178.9	-65.9	-76.1	-52.5	0	0	113.4	I303 Q307 D308 N309 N315 N320	I303-Q318 HydrophobicContact CD1-CG 3.37Å; I303-Q318 VanDerWaalsContact CD1-NE2 3.35Å; Q307-Q318 PolarHBondContact O-OE1 2.75Å; D308-Q318 PolarHBondContact OD1-NE2 2.02Å; N309-Q318 VanDerWaalsContact CG-OE1 3.26Å; N309-Q318 PolarHBondContact ND2-O 2.91Å; N309-Q318 PolarHBondContact OD1-OE1 3.49Å; N309-Q318 VanDerWaalsContact OD1-OE1 3.08Å; N315-Q318 PolarHBondContact O-N 3.08Å; N315-Q318 PolarHBondContact OD1-NE2 3.33Å; Q318-N320 PolarHBondContact O-N 3.03Å
319	R	97.4	Very high	95.9	Very high	137 Å²	137	60.7 Å²	60.7	52%	0.517	33%	0.326	S	S	.	.			trans	-69.6	131.3	-179.2	-175.5	-178.6	173	-167.1	-7.7	109.1	N317 V321 D328	N317-R319 PolarHBondContact O-N 3.31Å; N317-R319 VanDerWaalsContact O-N 3.07Å; N317-R319 WeakPolarHBondContact OD1-CB 3.32Å; N317-R319 PolarHBondContact OD1-N 2.66Å; R319-V321 HydrophobicContact CG-CG2 4.45Å; R319-D328 HydrophobicContact CB-CB 4.47Å; R319-D328 WeakPolarHBondContact CD-OD2 3.32Å; R319-D328 VanDerWaalsContact CG-OD2 3.31Å; R319-D328 WeakPolarHBondContact CG-OD2 3.26Å; R319-D328 IonicContact CZ-OD2 3.98Å; R319-D328 IonicContact NE-OD2 3.11Å; R319-D328 PolarHBondContact NE-OD2 2.98Å; R319-D328 VanDerWaalsContact NE-OD2 3.11Å; R319-D328 VanDerWaalsContact O-CB 3.25Å; R319-D328 WeakPolarHBondContact O-CB 3.44Å; R319-D328 PolarHBondContact O-N 3.04Å
320	N	96.4	Very high	95.8	Very high	40 Å²	40	61.1 Å²	61.1	21%	0.214	33%	0.33	C	S	.	.			trans	-141.8	114.3	175.2	174.7	-22.8	0	0	0	106.6	Q318 D322 E323 D324 F326 D328	Q318-N320 PolarHBondContact O-N 3.03Å; N320-D322 PolarHBondContact OD1-OD1 3.27Å; N320-E323 WeakPolarHBondContact OD1-CA 3.42Å; N320-E323 PolarHBondContact OD1-N 2.83Å; N320-D324 PolarHBondContact ND2-O 3.46Å; N320-D324 PolarHBondContact OD1-N 3.1Å; N320-F326 VanDerWaalsContact CG-O 3.24Å; N320-F326 PolarHBondContact ND2-O 3.4Å; N320-D328 VanDerWaalsContact CA-OD1 3.32Å; N320-D328 WeakPolarHBondContact CA-OD1 3.45Å
321	V	97.1	Very high	95.9	Very high	51 Å²	51	61.6 Å²	61.6	31%	0.309	33%	0.333	S	S	.	.	S	Bend	trans	-85.1	-39.5	-168.2	164.6	0	0	0	0	113.2	R319 D328 M335	R319-V321 HydrophobicContact CG-CG2 4.45Å; V321-D328 WeakPolarHBondContact CG2-OD1 3.49Å; V321-D328 WeakPolarHBondContact CG2-OD2 3.34Å; V321-D328 PolarHBondContact N-OD1 3.39Å; V321-M335 HydrophobicContact CG1-CE 4.03Å; V321-M335 HydrophobicContact CG1-SD 3.74Å
322	D	95.7	Very high	95.9	Very high	22 Å²	22	60.4 Å²	60.4	12%	0.118	33%	0.325	C	S	.	.	S	Bend	trans	-91.9	-13.3	-179.8	51.5	20.5	0	0	0	113.1	N320 D324 R334 I336 K337	N320-D322 PolarHBondContact OD1-OD1 3.27Å; D322-D324 PolarHBondContact OD1-N 3.44Å; D322-R334 VanDerWaalsContact OD2-C 3.24Å; D322-I336 PolarHBondContact OD2-N 2.79Å; D322-K337 HydrophobicContact CB-CG 4.1Å; D322-K337 WeakPolarHBondContact O-CE 3.05Å; D322-K337 PolarHBondContact O-NZ 3.14Å; D322-K337 PolarHBondContact OD2-N 2.89Å
323	E	95.7	Very high	95.9	Very high	152 Å²	152	56 Å²	56	71%	0.71	30%	0.302	S	S	*	.			trans	70.6	39	179.1	-49.4	174.8	175.7	0	0	112.9	N320 K337	N320-E323 WeakPolarHBondContact OD1-CA 3.42Å; N320-E323 PolarHBondContact OD1-N 2.83Å; E323-K337 WeakPolarHBondContact O-CE 3.09Å; E323-K337 PolarHBondContact O-NZ 2.91Å
324	D	94.3	Very high	95.9	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.053	30%	0.304	C	S	.	.	S	Bend	trans	-87.2	-167.8	167.9	91.2	-11.3	0	0	0	111.1	N320 D322 F326 K337 N338 N339	N320-D324 PolarHBondContact ND2-O 3.46Å; N320-D324 PolarHBondContact OD1-N 3.1Å; D322-D324 PolarHBondContact OD1-N 3.44Å; D324-F326 VanDerWaalsContact C-N 3.3Å; D324-F326 WeakPolarHBondContact OD1-CA 3.21Å; D324-F326 PolarHBondContact OD1-N 3.49Å; D324-K337 HydrophobicContact CB-CB 3.72Å; D324-K337 HydrophobicContact CB-CD 4.14Å; D324-K337 HydrophobicContact CB-CG 3.82Å; D324-N338 PolarHBondContact OD2-N 3.01Å; D324-N339 WeakPolarHBondContact CB-OD1 3.12Å
325	D	92.6	Very high	95.8	Very high	111 Å²	111	60.8 Å²	60.8	59%	0.594	31%	0.31	S	S	*	.	S	Bend	trans	-78.1	-14.7	-177.7	-67.8	-16.8	0	0	0	113.2	N339	D325-N339 PolarHBondContact N-OD1 3Å; D325-N339 PolarHBondContact OD2-ND2 2.93Å
326	F	94.9	Very high	95.8	Very high	67 Å²	67	64 Å²	64	29%	0.294	33%	0.326	S	S	.	.	S	Bend	trans	-105.6	139.3	-174.6	-65.9	-92.8	0	0	0	112	N309 N320 D324 D331 N339 Q341	N309-F326 CarbonylContact O-C 3.33Å; N309-F326 WeakPolarHBondContact O-CA 3.37Å; N320-F326 VanDerWaalsContact CG-O 3.24Å; N320-F326 PolarHBondContact ND2-O 3.4Å; D324-F326 VanDerWaalsContact C-N 3.3Å; D324-F326 WeakPolarHBondContact OD1-CA 3.21Å; D324-F326 PolarHBondContact OD1-N 3.49Å; F326-D331 HydrophobicContact CB-CB 3.94Å; F326-N339 VanDerWaalsContact CE2-O 3.26Å; F326-N339 WeakPolarHBondContact CE2-O 3.18Å; F326-Q341 HydrophobicContact CB-CG 4.48Å; F326-Q341 HydrophobicContact CD1-CG 3.73Å; F326-Q341 HydrophobicContact CD2-CG 3.46Å; F326-Q341 VanDerWaalsContact CD2-CG 3.46Å; F326-Q341 HydrophobicContact CE1-CG 3.72Å; F326-Q341 HydrophobicContact CE2-CG 3.48Å; F326-Q341 VanDerWaalsContact CE2-CG 3.48Å; F326-Q341 HydrophobicContact CG-CG 3.6Å; F326-Q341 HydrophobicContact CZ-CG 3.6Å
327	G	96.4	Very high	95.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.			trans	-79.4	156.4	176.3	0	0	0	0	0	112.3	N309 C310 A329 C330 D331	N309-G327 VanDerWaalsContact CG-CA 3.48Å; N309-G327 PolarHBondContact O-N 3.33Å; C310-G327 WeakPolarHBondContact SG-CA 3.3Å; C310-G327 PolarHBondContact SG-N 2.92Å; C310-G327 PolarHBondContact SG-O 2.86Å; G327-A329 PolarHBondContact O-N 3.06Å; G327-C330 PolarHBondContact O-N 2.8Å; G327-C330 PolarHBondContact O-SG 3.38Å; G327-D331 WeakPolarHBondContact O-CB 3.05Å; G327-D331 PolarHBondContact O-N 3.2Å
328	D	96.3	Very high	95.7	Very high	18 Å²	18	58.9 Å²	58.9	10%	0.096	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-18.3	177.9	-81.5	19.6	0	0	0	115.3	R319 N320 V321 R334	R319-D328 HydrophobicContact CB-CB 4.47Å; R319-D328 WeakPolarHBondContact CD-OD2 3.32Å; R319-D328 VanDerWaalsContact CG-OD2 3.31Å; R319-D328 WeakPolarHBondContact CG-OD2 3.26Å; R319-D328 IonicContact CZ-OD2 3.98Å; R319-D328 IonicContact NE-OD2 3.11Å; R319-D328 PolarHBondContact NE-OD2 2.98Å; R319-D328 VanDerWaalsContact NE-OD2 3.11Å; R319-D328 VanDerWaalsContact O-CB 3.25Å; R319-D328 WeakPolarHBondContact O-CB 3.44Å; R319-D328 PolarHBondContact O-N 3.04Å; N320-D328 VanDerWaalsContact CA-OD1 3.32Å; N320-D328 WeakPolarHBondContact CA-OD1 3.45Å; V321-D328 WeakPolarHBondContact CG2-OD1 3.49Å; V321-D328 WeakPolarHBondContact CG2-OD2 3.34Å; V321-D328 PolarHBondContact N-OD1 3.39Å; D328-R334 HydrophobicContact CB-CG 4.41Å; D328-R334 IonicContact OD1-NE 3.04Å; D328-R334 IonicContact OD2-CZ 2.99Å; D328-R334 IonicContact OD2-NE 3.6Å; D328-R334 PolarHBondContact OD2-NE 3.16Å; D328-R334 IonicContact OD2-NH2 2.86Å; D328-R334 PolarHBondContact OD2-NH2 3.4Å
329	A	96.2	Very high	95.3	Very high	53 Å²	53	60.4 Å²	60.4	44%	0.438	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-26.3	-177.5	0	0	0	0	0	113.5	V313 N315 G327	V313-A329 HydrophobicContact CG1-CB 4.33Å; N315-A329 HydrophobicContact CB-CB 3.39Å; G327-A329 PolarHBondContact O-N 3.06Å
330	C	95.1	Very high	94.8	Very high	37 Å²	37	58.9 Å²	58.9	25%	0.25	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-8.2	-177.3	59.2	0	0	0	0	112.8	N309 C310 V313 G327 N332 Q341	N309-C330 PolarHBondContact O-SG 2.84Å; C310-C330 WeakPolarHBondContact CA-SG 3.3Å; C310-C330 HydrophobicContact CB-CB 3.71Å; C310-C330 WeakPolarHBondContact CB-SG 3.2Å; C310-C330 WeakPolarHBondContact SG-CB 3.11Å; C310-C330 PolarHBondContact SG-N 3.32Å; C310-C330 CovalentContact SG-SG 2.04Å; C310-C330 PolarHBondContact SG-SG 3.4Å; V313-C330 HydrophobicContact CB-CB 4.16Å; V313-C330 HydrophobicContact CG2-CB 4.08Å; G327-C330 PolarHBondContact O-N 2.8Å; G327-C330 PolarHBondContact O-SG 3.38Å; C330-N332 PolarHBondContact O-N 3.34Å; C330-Q341 PolarHBondContact O-OE1 2.83Å
331	D	96.5	Very high	94.6	Very high	14 Å²	14	58.5 Å²	58.5	8%	0.075	30%	0.299	C	S	.	.			trans	-76.4	115.7	177.6	179.6	-1.2	0	0	0	111.3	F326 G327 C333 R334 N338 Q341	F326-D331 HydrophobicContact CB-CB 3.94Å; G327-D331 WeakPolarHBondContact O-CB 3.05Å; G327-D331 PolarHBondContact O-N 3.2Å; D331-C333 PolarHBondContact O-N 2.67Å; D331-C333 WeakPolarHBondContact OD1-CA 3.31Å; D331-C333 PolarHBondContact OD1-N 3.1Å; D331-R334 PolarHBondContact OD1-N 2.96Å; D331-R334 WeakPolarHBondContact OD2-CA 3.04Å; D331-R334 PolarHBondContact OD2-N 3.2Å; D331-N338 PolarHBondContact OD1-OD1 3.49Å; D331-Q341 PolarHBondContact OD1-NE2 2.82Å; D331-Q341 VanDerWaalsContact OD1-NE2 3.13Å
332	N	95.6	Very high	94.3	Very high	29 Å²	29	60.1 Å²	60.1	16%	0.155	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.6	177.3	66.6	1.5	0	0	0	113.7	C330 N338 Q341 G350 C353	C330-N332 PolarHBondContact O-N 3.34Å; N332-N338 PolarHBondContact OD1-ND2 3.34Å; N332-Q341 PolarHBondContact ND2-O 3.33Å; N332-Q341 PolarHBondContact OD1-OE1 3.08Å; N332-G350 VanDerWaalsContact CG-CA 3.48Å; N332-G350 WeakPolarHBondContact ND2-CA 3.49Å; N332-G350 PolarHBondContact O-N 3.38Å; N332-C353 PolarHBondContact O-SG 3.11Å; N332-C353 VanDerWaalsContact O-SG 3.33Å
333	C	96.3	Very high	94.1	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.041	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	18.6	176.3	-77.7	0	0	0	0	117.4	D331 M335 I336 N338 G350 C353	D331-C333 PolarHBondContact O-N 2.67Å; D331-C333 WeakPolarHBondContact OD1-CA 3.31Å; D331-C333 PolarHBondContact OD1-N 3.1Å; C333-M335 PolarHBondContact O-N 2.78Å; C333-I336 PolarHBondContact O-N 2.66Å; C333-N338 WeakPolarHBondContact CB-OD1 3.25Å; C333-G350 WeakPolarHBondContact SG-CA 3.39Å; C333-G350 PolarHBondContact SG-N 2.99Å; C333-G350 VanDerWaalsContact SG-N 3.43Å; C333-G350 PolarHBondContact SG-O 2.02Å; C333-C353 WeakPolarHBondContact CA-SG 3.21Å; C333-C353 HydrophobicContact CB-CB 3.74Å; C333-C353 WeakPolarHBondContact CB-SG 2.91Å; C333-C353 WeakPolarHBondContact SG-CB 3.32Å; C333-C353 PolarHBondContact SG-N 3.33Å; C333-C353 CovalentContact SG-SG 2.05Å; C333-C353 PolarHBondContact SG-SG 2.85Å
334	R	95.8	Very high	93.9	Very high	106 Å²	106	55.9 Å²	55.9	40%	0.4	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	18.2	-44.9	167.1	-159.4	176	-171.9	160	17.9	122.3	D322 D328 D331	D322-R334 VanDerWaalsContact OD2-C 3.24Å; D328-R334 HydrophobicContact CB-CG 4.41Å; D328-R334 IonicContact OD1-NE 3.04Å; D328-R334 IonicContact OD2-CZ 2.99Å; D328-R334 IonicContact OD2-NE 3.6Å; D328-R334 PolarHBondContact OD2-NE 3.16Å; D328-R334 IonicContact OD2-NH2 2.86Å; D328-R334 PolarHBondContact OD2-NH2 3.4Å; D331-R334 PolarHBondContact OD1-N 2.96Å; D331-R334 WeakPolarHBondContact OD2-CA 3.04Å; D331-R334 PolarHBondContact OD2-N 3.2Å
335	M	95.6	Very high	93.7	Very high	139 Å²	139	57.8 Å²	57.8	69%	0.685	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-8.2	-177.8	-57.1	-65.2	-53	0	0	112.9	V321 C333	V321-M335 HydrophobicContact CG1-CE 4.03Å; V321-M335 HydrophobicContact CG1-SD 3.74Å; C333-M335 PolarHBondContact O-N 2.78Å
336	I	95.7	Very high	93.7	Very high	74 Å²	74	59.3 Å²	59.3	38%	0.379	30%	0.302	S	S	.	.	S	Bend	trans	-134.4	120.1	-174.5	-55.6	-179	0	0	0	108	D322 C333 N338 E352 C353	D322-I336 PolarHBondContact OD2-N 2.79Å; C333-I336 PolarHBondContact O-N 2.66Å; I336-N338 PolarHBondContact O-N 3Å; I336-N338 PolarHBondContact O-OD1 3.26Å; I336-E352 HydrophobicContact CG2-CB 4.09Å; I336-C353 HydrophobicContact CD1-CB 3.94Å
337	K	95.3	Very high	93.6	Very high	116 Å²	116	60 Å²	60	50%	0.504	31%	0.309	S	S	.	.			trans	-58.8	128.1	179.5	-55.5	-161.7	169.2	-154.7	0	112.2	D322 E323 D324	D322-K337 HydrophobicContact CB-CG 4.1Å; D322-K337 WeakPolarHBondContact O-CE 3.05Å; D322-K337 PolarHBondContact O-NZ 3.14Å; D322-K337 PolarHBondContact OD2-N 2.89Å; E323-K337 WeakPolarHBondContact O-CE 3.09Å; E323-K337 PolarHBondContact O-NZ 2.91Å; D324-K337 HydrophobicContact CB-CB 3.72Å; D324-K337 HydrophobicContact CB-CD 4.14Å; D324-K337 HydrophobicContact CB-CG 3.82Å
338	N	93.7	Very high	93.4	Very high	6 Å²	6	70.2 Å²	70.2	3%	0.032	35%	0.348	C	S	.	.			trans	-154.3	79.1	175.6	65.6	-39.5	0	0	0	110.8	D324 D331 N332 C333 I336 D340 Q341 E352	D324-N338 PolarHBondContact OD2-N 3.01Å; D331-N338 PolarHBondContact OD1-OD1 3.49Å; N332-N338 PolarHBondContact OD1-ND2 3.34Å; C333-N338 WeakPolarHBondContact CB-OD1 3.25Å; I336-N338 PolarHBondContact O-N 3Å; I336-N338 PolarHBondContact O-OD1 3.26Å; N338-D340 PolarHBondContact O-N 2.03Å; N338-Q341 VanDerWaalsContact CG-NE2 3.35Å; N338-Q341 PolarHBondContact ND2-NE2 3.33Å; N338-Q341 PolarHBondContact O-N 3.33Å; N338-Q341 PolarHBondContact O-NE2 3.01Å; N338-Q341 PolarHBondContact OD1-NE2 2.96Å; N338-E352 HydrophobicContact CB-CB 4.03Å; N338-E352 HydrophobicContact CB-CG 3.77Å
339	N	89.7	Confident	93.4	Very high	80 Å²	80	72.5 Å²	72.5	43%	0.428	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.7	-178.6	-71	2.1	0	0	0	114.7	D324 D325 F326	D324-N339 WeakPolarHBondContact CB-OD1 3.12Å; D325-N339 PolarHBondContact N-OD1 3Å; D325-N339 PolarHBondContact OD2-ND2 2.93Å; F326-N339 VanDerWaalsContact CE2-O 3.26Å; F326-N339 WeakPolarHBondContact CE2-O 3.18Å
340	D	86.5	Confident	93.3	Very high	105 Å²	105	70 Å²	70	56%	0.561	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.3	172.5	61.5	-9.6	0	0	0	112.6	N338 K342	N338-D340 PolarHBondContact O-N 2.03Å; D340-K342 PolarHBondContact O-N 2.03Å
341	Q	92	Very high	93.3	Very high	33 Å²	33	69.1 Å²	69.1	15%	0.154	33%	0.332	C	S	.	.			trans	46.7	30.4	-178	-67.3	-73.2	-63.2	0	0	112.9	F326 C330 D331 N332 N338 D343	F326-Q341 HydrophobicContact CB-CG 4.48Å; F326-Q341 HydrophobicContact CD1-CG 3.73Å; F326-Q341 HydrophobicContact CD2-CG 3.46Å; F326-Q341 VanDerWaalsContact CD2-CG 3.46Å; F326-Q341 HydrophobicContact CE1-CG 3.72Å; F326-Q341 HydrophobicContact CE2-CG 3.48Å; F326-Q341 VanDerWaalsContact CE2-CG 3.48Å; F326-Q341 HydrophobicContact CG-CG 3.6Å; F326-Q341 HydrophobicContact CZ-CG 3.6Å; C330-Q341 PolarHBondContact O-OE1 2.83Å; D331-Q341 PolarHBondContact OD1-NE2 2.82Å; D331-Q341 VanDerWaalsContact OD1-NE2 3.13Å; N332-Q341 PolarHBondContact ND2-O 3.33Å; N332-Q341 PolarHBondContact OD1-OE1 3.08Å; N338-Q341 VanDerWaalsContact CG-NE2 3.35Å; N338-Q341 PolarHBondContact ND2-NE2 3.33Å; N338-Q341 PolarHBondContact O-N 3.33Å; N338-Q341 PolarHBondContact O-NE2 3.01Å; N338-Q341 PolarHBondContact OD1-NE2 2.96Å; Q341-D343 PolarHBondContact O-N 3.36Å
342	K	90.7	Very high	93.3	Very high	84 Å²	84	73.8 Å²	73.8	37%	0.365	35%	0.353	S	S	.	.			trans	-66.6	135.5	-174.3	-170.5	173.6	174.5	174.8	0	110.3	D340 G350 D351	D340-K342 PolarHBondContact O-N 2.03Å; K342-G350 CarbonylContact O-C 3.47Å; K342-G350 VanDerWaalsContact O-CA 3.24Å; K342-G350 WeakPolarHBondContact O-CA 3.25Å; K342-D351 WeakPolarHBondContact CD-OD2 3.49Å; K342-D351 WeakPolarHBondContact CG-OD2 3.43Å; K342-D351 PolarHBondContact O-N 2.68Å
343	D	91.8	Very high	93.2	Very high	38 Å²	38	74.2 Å²	74.2	20%	0.203	36%	0.358	C	S	.	.			trans	-142.2	97.6	-178.4	176.8	-5.4	0	0	0	106.8	Q341 I346 D347 R348	Q341-D343 PolarHBondContact O-N 3.36Å; D343-I346 WeakPolarHBondContact OD1-CA 3.41Å; D343-I346 PolarHBondContact OD1-N 3.4Å; D343-D347 PolarHBondContact OD1-N 3.06Å; D343-R348 WeakPolarHBondContact OD2-CA 3.43Å; D343-R348 PolarHBondContact OD2-N 3.39Å
344	T	90.9	Very high	93.2	Very high	47 Å²	47	75 Å²	75	29%	0.288	36%	0.361	S	S	.	.	S	Bend	trans	-73.4	-34.2	-168.3	-64.2	0	0	0	0	112.8	D351 I357	T344-D351 WeakPolarHBondContact CB-OD1 3.02Å; T344-D351 PolarHBondContact N-OD1 2.97Å; T344-D351 VanDerWaalsContact OG1-CG 3.3Å; T344-D351 PolarHBondContact OG1-OD1 3.32Å; T344-D351 PolarHBondContact OG1-OD2 2.83Å; T344-I357 VanDerWaalsContact CB-O 3.26Å; T344-I357 WeakPolarHBondContact CB-O 3.15Å
345	D	91.1	Very high	93.3	Very high	51 Å²	51	77.5 Å²	77.5	27%	0.273	38%	0.378	S	S	.	.	S	Bend	trans	-102.8	-4.9	-179.4	81.7	-21.8	0	0	0	114	D347 I357 G359	D345-D347 VanDerWaalsContact C-N 3.31Å; D345-D347 PolarHBondContact O-N 3.04Å; D345-D347 WeakPolarHBondContact OD1-CB 3.45Å; D345-D347 PolarHBondContact OD1-N 3.3Å; D345-D347 VanDerWaalsContact OD1-N 3.12Å; D345-I357 PolarHBondContact N-O 2.85Å; D345-G359 WeakPolarHBondContact OD2-CA 2.94Å
346	I	91.6	Very high	93.3	Very high	142 Å²	142	72.6 Å²	72.6	73%	0.728	36%	0.355	S	S	*	.			trans	65.5	33.5	175.3	-39.7	176.4	0	0	0	111.5	D343 R348	D343-I346 WeakPolarHBondContact OD1-CA 3.41Å; D343-I346 PolarHBondContact OD1-N 3.4Å; I346-R348 VanDerWaalsContact C-N 3.3Å
347	D	93.3	Very high	93.3	Very high	82 Å²	82	69.7 Å²	69.7	44%	0.439	34%	0.339	S	S	.	.	S	Bend	trans	-85.5	-4.1	176.4	95.1	-20.7	0	0	0	113.7	D343 D345 L349	D343-D347 PolarHBondContact OD1-N 3.06Å; D345-D347 VanDerWaalsContact C-N 3.31Å; D345-D347 PolarHBondContact O-N 3.04Å; D345-D347 WeakPolarHBondContact OD1-CB 3.45Å; D345-D347 PolarHBondContact OD1-N 3.3Å; D345-D347 VanDerWaalsContact OD1-N 3.12Å; D347-L349 WeakPolarHBondContact OD1-CA 3.13Å; D347-L349 WeakPolarHBondContact OD1-CB 3.47Å; D347-L349 PolarHBondContact OD1-N 2.85Å
348	R	92.4	Very high	93.2	Very high	215 Å²	215	64.5 Å²	64.5	81%	0.811	32%	0.317	S	S	*	.	S	Bend	trans	79.8	11.9	-176.3	-48.2	168.8	178.7	-174.7	-4.6	114.8	D343 I346	D343-R348 WeakPolarHBondContact OD2-CA 3.43Å; D343-R348 PolarHBondContact OD2-N 3.39Å; I346-R348 VanDerWaalsContact C-N 3.3Å
349	L	95.6	Very high	93.3	Very high	66 Å²	66	66.2 Å²	66.2	35%	0.346	34%	0.336	S	S	.	.	S	Bend	trans	-106.1	122.3	168.1	-163.3	63.5	0	0	0	107.3	D347 C353 D354	D347-L349 WeakPolarHBondContact OD1-CA 3.13Å; D347-L349 WeakPolarHBondContact OD1-CB 3.47Å; D347-L349 PolarHBondContact OD1-N 2.85Å; L349-C353 VanDerWaalsContact CD1-SG 3.51Å; L349-D354 HydrophobicContact CB-CB 4.26Å; L349-D354 HydrophobicContact CD2-CB 3.77Å; L349-D354 HydrophobicContact CG-CB 3.88Å
350	G	94.8	Very high	93.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.			trans	-69.1	155.3	-178.4	0	0	0	0	0	112.5	N332 C333 K342 E352 C353 D354	N332-G350 VanDerWaalsContact CG-CA 3.48Å; N332-G350 WeakPolarHBondContact ND2-CA 3.49Å; N332-G350 PolarHBondContact O-N 3.38Å; C333-G350 WeakPolarHBondContact SG-CA 3.39Å; C333-G350 PolarHBondContact SG-N 2.99Å; C333-G350 VanDerWaalsContact SG-N 3.43Å; C333-G350 PolarHBondContact SG-O 2.02Å; K342-G350 CarbonylContact O-C 3.47Å; K342-G350 VanDerWaalsContact O-CA 3.24Å; K342-G350 WeakPolarHBondContact O-CA 3.25Å; G350-E352 PolarHBondContact O-N 3.22Å; G350-C353 PolarHBondContact O-N 2.86Å; G350-C353 PolarHBondContact O-SG 3.01Å; G350-C353 VanDerWaalsContact O-SG 3.38Å; G350-D354 WeakPolarHBondContact O-CB 2.73Å; G350-D354 PolarHBondContact O-N 3.17Å
351	D	94.9	Very high	94.1	Very high	18 Å²	18	61.1 Å²	61.1	10%	0.096	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-36	-177.7	-80.1	11.7	0	0	0	112.7	K342 T344 C353 I357 R371	K342-D351 WeakPolarHBondContact CD-OD2 3.49Å; K342-D351 WeakPolarHBondContact CG-OD2 3.43Å; K342-D351 PolarHBondContact O-N 2.68Å; T344-D351 WeakPolarHBondContact CB-OD1 3.02Å; T344-D351 PolarHBondContact N-OD1 2.97Å; T344-D351 VanDerWaalsContact OG1-CG 3.3Å; T344-D351 PolarHBondContact OG1-OD1 3.32Å; T344-D351 PolarHBondContact OG1-OD2 2.83Å; D351-C353 VanDerWaalsContact C-N 3.34Å; D351-C353 PolarHBondContact O-N 2.94Å; D351-I357 HydrophobicContact CB-CG2 4.38Å; D351-I357 WeakPolarHBondContact O-CG2 3.45Å; D351-R371 IonicContact OD2-NH2 2.96Å
352	E	95.5	Very high	94.3	Very high	113 Å²	113	61.1 Å²	61.1	53%	0.528	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.6	-175.6	-73.3	-66.1	147.6	0	0	114	I336 N338 G350	I336-E352 HydrophobicContact CG2-CB 4.09Å; N338-E352 HydrophobicContact CB-CB 4.03Å; N338-E352 HydrophobicContact CB-CG 3.77Å; G350-E352 PolarHBondContact O-N 3.22Å
353	C	95.1	Very high	94.6	Very high	38 Å²	38	59.8 Å²	59.8	26%	0.257	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-5.2	-178.3	62.3	0	0	0	0	114	N332 C333 I336 L349 G350 D351	N332-C353 PolarHBondContact O-SG 3.11Å; N332-C353 VanDerWaalsContact O-SG 3.33Å; C333-C353 WeakPolarHBondContact CA-SG 3.21Å; C333-C353 HydrophobicContact CB-CB 3.74Å; C333-C353 WeakPolarHBondContact CB-SG 2.91Å; C333-C353 WeakPolarHBondContact SG-CB 3.32Å; C333-C353 PolarHBondContact SG-N 3.33Å; C333-C353 CovalentContact SG-SG 2.05Å; C333-C353 PolarHBondContact SG-SG 2.85Å; I336-C353 HydrophobicContact CD1-CB 3.94Å; L349-C353 VanDerWaalsContact CD1-SG 3.51Å; G350-C353 PolarHBondContact O-N 2.86Å; G350-C353 PolarHBondContact O-SG 3.01Å; G350-C353 VanDerWaalsContact O-SG 3.38Å; D351-C353 VanDerWaalsContact C-N 3.34Å; D351-C353 PolarHBondContact O-N 2.94Å
354	D	96.4	Very high	94.8	Very high	21 Å²	21	59.5 Å²	59.5	11%	0.112	32%	0.322	C	S	.	.			trans	-82.2	141.2	174.4	-167.8	1.4	0	0	0	112.2	L349 G350 D356 I357 N364	L349-D354 HydrophobicContact CB-CB 4.26Å; L349-D354 HydrophobicContact CD2-CB 3.77Å; L349-D354 HydrophobicContact CG-CB 3.88Å; G350-D354 WeakPolarHBondContact O-CB 2.73Å; G350-D354 PolarHBondContact O-N 3.17Å; D354-D356 PolarHBondContact OD1-N 2.84Å; D354-D356 VanDerWaalsContact OD2-O 3.12Å; D354-I357 HydrophobicContact CB-CG2 3.87Å; D354-I357 WeakPolarHBondContact OD2-CA 3.42Å; D354-N364 PolarHBondContact O-ND2 2.85Å
355	E	96.1	Very high	95	Very high	160 Å²	160	63.8 Å²	63.8	75%	0.748	34%	0.343	S	S	*	.	S	Bend	trans	-89.6	-10.2	176	-64.3	-169.9	168.1	0	0	112.8	P363 N364	E355-P363 CarbonylContact O-C 3.55Å; E355-P363 VanDerWaalsContact O-CA 3.32Å; E355-P363 WeakPolarHBondContact O-CA 3.4Å; E355-N364 VanDerWaalsContact C-ND2 3.33Å; E355-N364 PolarHBondContact O-N 2.76Å; E355-N364 PolarHBondContact O-ND2 2.96Å
356	D	96.4	Very high	95.3	Very high	36 Å²	36	67.6 Å²	67.6	19%	0.193	36%	0.363	C	S	.	.	S	Bend	trans	-148.3	70.8	-175.1	-177.4	13.6	0	0	0	110.6	D354 D358 G359 G361	D354-D356 PolarHBondContact OD1-N 2.84Å; D354-D356 VanDerWaalsContact OD2-O 3.12Å; D356-D358 PolarHBondContact O-N 2.87Å; D356-D358 VanDerWaalsContact O-N 3.11Å; D356-G359 PolarHBondContact O-N 2.94Å; D356-G361 WeakPolarHBondContact OD2-CA 2.99Å; D356-G361 PolarHBondContact OD2-N 3.33Å
357	I	95.3	Very high	95.5	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.062	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.2	-161.1	64.3	-175.6	0	0	0	114.3	T344 D345 D351 D354 N364 K370 R371	T344-I357 VanDerWaalsContact CB-O 3.26Å; T344-I357 WeakPolarHBondContact CB-O 3.15Å; D345-I357 PolarHBondContact N-O 2.85Å; D351-I357 HydrophobicContact CB-CG2 4.38Å; D351-I357 WeakPolarHBondContact O-CG2 3.45Å; D354-I357 HydrophobicContact CB-CG2 3.87Å; D354-I357 WeakPolarHBondContact OD2-CA 3.42Å; I357-N364 WeakPolarHBondContact CG2-ND2 3.32Å; I357-N364 PolarHBondContact N-OD1 2.99Å; I357-K370 HydrophobicContact CD1-CB 4.04Å; I357-K370 VanDerWaalsContact CD1-O 3.24Å; I357-K370 WeakPolarHBondContact CD1-O 3.36Å; I357-K370 WeakPolarHBondContact CG1-O 3.26Å; I357-R371 HydrophobicContact CD1-CG 3.56Å; I357-R371 HydrophobicContact CG1-CG 4.38Å
358	D	94.5	Very high	95.7	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	2.8	175.8	67.4	8.5	0	0	0	113.1	D356 D360 V372 P373	D356-D358 PolarHBondContact O-N 2.87Å; D356-D358 VanDerWaalsContact O-N 3.11Å; D358-D360 PolarHBondContact O-N 3.11Å; D358-D360 PolarHBondContact OD1-N 2.91Å; D358-V372 PolarHBondContact OD2-N 2.88Å; D358-V372 VanDerWaalsContact OD2-O 3.14Å; D358-P373 HydrophobicContact CB-CG 4.05Å; D358-P373 WeakPolarHBondContact O-CG 3.47Å
359	G	95.6	Very high	95.9	Very high	42 Å²	42	48.8 Å²	48.8	43%	0.433	28%	0.28	S	S	.	.			trans	65.6	19.5	170.7	0	0	0	0	0	114.6	D345 D356 G361	D345-G359 WeakPolarHBondContact OD2-CA 2.94Å; D356-G359 PolarHBondContact O-N 2.94Å; G359-G361 VanDerWaalsContact C-N 3.27Å; G359-G361 PolarHBondContact O-N 2.86Å
360	D	96.2	Very high	95.8	Very high	22 Å²	22	51 Å²	51	12%	0.118	29%	0.287	C	S	.	.	S	Bend	trans	-81.2	-10.1	-176.5	99.2	-14.4	0	0	0	112.8	D358 I362 P373 N374 T375	D358-D360 PolarHBondContact O-N 3.11Å; D358-D360 PolarHBondContact OD1-N 2.91Å; D360-I362 WeakPolarHBondContact OD1-CA 3.17Å; D360-I362 WeakPolarHBondContact OD1-CB 3.08Å; D360-I362 WeakPolarHBondContact OD1-CG1 3.4Å; D360-I362 PolarHBondContact OD1-N 2.73Å; D360-P373 HydrophobicContact CB-CB 3.8Å; D360-N374 WeakPolarHBondContact OD2-CA 3.15Å; D360-N374 PolarHBondContact OD2-N 3.15Å; D360-T375 HydrophobicContact CB-CG2 4Å; D360-T375 WeakPolarHBondContact O-CG2 3.48Å; D360-T375 WeakPolarHBondContact OD2-CA 2.95Å; D360-T375 PolarHBondContact OD2-N 2.96Å
361	G	95.8	Very high	95.7	Very high	57 Å²	57	57.8 Å²	57.8	59%	0.588	31%	0.312	S	S	*	.	S	Bend	trans	96.1	8	179.7	0	0	0	0	0	114.1	D356 G359	D356-G361 WeakPolarHBondContact OD2-CA 2.99Å; D356-G361 PolarHBondContact OD2-N 3.33Å; G359-G361 VanDerWaalsContact C-N 3.27Å; G359-G361 PolarHBondContact O-N 2.86Å
362	I	96.8	Very high	95.7	Very high	33 Å²	33	59.6 Å²	59.6	17%	0.169	32%	0.324	C	S	.	.	S	Bend	trans	-114.3	116.1	-178.9	-56.5	178.9	0	0	0	109	D360 N364 L366 D367 Q377	D360-I362 WeakPolarHBondContact OD1-CA 3.17Å; D360-I362 WeakPolarHBondContact OD1-CB 3.08Å; D360-I362 WeakPolarHBondContact OD1-CG1 3.4Å; D360-I362 PolarHBondContact OD1-N 2.73Å; I362-N364 PolarHBondContact O-N 3.01Å; I362-L366 HydrophobicContact CG2-CB 4.22Å; I362-D367 HydrophobicContact CG2-CB 4.05Å; I362-Q377 HydrophobicContact CD1-CG 3.25Å
363	P	97.1	Very high	95.7	Very high	56 Å²	56	58.4 Å²	58.4	36%	0.364	33%	0.326	S	S	.	.			trans	-59.9	142.6	-176.9	-24.6	33.2	0	0	0	112.8	E355 N365 L366 D367	E355-P363 CarbonylContact O-C 3.55Å; E355-P363 VanDerWaalsContact O-CA 3.32Å; E355-P363 WeakPolarHBondContact O-CA 3.4Å; P363-N365 PolarHBondContact O-N 2.97Å; P363-L366 WeakPolarHBondContact O-CA 3.2Å; P363-L366 PolarHBondContact O-N 3.31Å; P363-D367 PolarHBondContact O-N 2.81Å
364	N	95.4	Very high	95.7	Very high	32 Å²	32	57 Å²	57	17%	0.171	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-26.9	-177.2	-70.9	-20.2	0	0	0	116.2	D354 E355 I357 I362 K370	D354-N364 PolarHBondContact O-ND2 2.85Å; E355-N364 VanDerWaalsContact C-ND2 3.33Å; E355-N364 PolarHBondContact O-N 2.76Å; E355-N364 PolarHBondContact O-ND2 2.96Å; I357-N364 WeakPolarHBondContact CG2-ND2 3.32Å; I357-N364 PolarHBondContact N-OD1 2.99Å; I362-N364 PolarHBondContact O-N 3.01Å; N364-K370 WeakPolarHBondContact O-CE 3.5Å
365	N	95.7	Very high	95.7	Very high	137 Å²	137	61.1 Å²	61.1	73%	0.733	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-14.1	-178.6	65.1	-4.4	0	0	0	114.2	P363	P363-N365 PolarHBondContact O-N 2.97Å
366	L	96.5	Very high	95.8	Very high	131 Å²	131	58.9 Å²	58.9	69%	0.686	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-15.9	174.7	-65.1	177.9	0	0	0	111.8	I362 P363 Q377	I362-L366 HydrophobicContact CG2-CB 4.22Å; P363-L366 WeakPolarHBondContact O-CA 3.2Å; P363-L366 PolarHBondContact O-N 3.31Å; L366-Q377 PolarHBondContact O-OE1 3.28Å
367	D	97.1	Very high	95.8	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.059	34%	0.336	C	S	.	.			trans	-76.6	127.2	-179.5	-151.7	-46.9	0	0	0	113.3	I362 P363 C369 K370 N374 Q377	I362-D367 HydrophobicContact CG2-CB 4.05Å; P363-D367 PolarHBondContact O-N 2.81Å; D367-C369 WeakPolarHBondContact OD1-CA 3.46Å; D367-C369 PolarHBondContact OD1-N 2.92Å; D367-K370 HydrophobicContact CB-CG 4.21Å; D367-K370 PolarHBondContact OD1-N 3.18Å; D367-N374 PolarHBondContact OD1-OD1 3.02Å; D367-Q377 VanDerWaalsContact CG-NE2 3.25Å; D367-Q377 PolarHBondContact OD1-NE2 2.98Å; D367-Q377 PolarHBondContact OD2-NE2 3.09Å
368	N	96.3	Very high	95.9	Very high	28 Å²	28	63.4 Å²	63.4	15%	0.15	35%	0.354	C	S	.	.	S	Bend	trans	-85.6	-8.2	172.6	69.6	-2.9	0	0	0	114.2	N374 Q377 G386	N368-N374 PolarHBondContact OD1-ND2 3.14Å; N368-Q377 PolarHBondContact ND2-O 2.79Å; N368-Q377 VanDerWaalsContact OD1-CD 3.25Å; N368-Q377 PolarHBondContact OD1-NE2 2.91Å; N368-Q377 PolarHBondContact OD1-OE1 3.11Å; N368-Q377 VanDerWaalsContact OD1-OE1 3.06Å; N368-G386 VanDerWaalsContact CG-CA 3.48Å; N368-G386 VanDerWaalsContact ND2-CA 3.32Å; N368-G386 WeakPolarHBondContact ND2-CA 3.17Å; N368-G386 PolarHBondContact O-N 3.32Å
369	C	96	Very high	96	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.027	37%	0.365	C	S	.	.	S	Bend	trans	-138.3	54.2	173.7	-75.5	0	0	0	0	112.8	D367 R371 V372 N374 G386 C389	D367-C369 WeakPolarHBondContact OD1-CA 3.46Å; D367-C369 PolarHBondContact OD1-N 2.92Å; C369-R371 PolarHBondContact O-N 3.46Å; C369-V372 HydrophobicContact CB-CB 4.39Å; C369-V372 PolarHBondContact O-N 2.55Å; C369-V372 VanDerWaalsContact O-O 3.12Å; C369-N374 HydrophobicContact CB-CB 4.48Å; C369-N374 WeakPolarHBondContact CB-ND2 3.21Å; C369-N374 WeakPolarHBondContact CB-OD1 3.26Å; C369-G386 WeakPolarHBondContact SG-CA 3.3Å; C369-G386 PolarHBondContact SG-N 2.88Å; C369-G386 PolarHBondContact SG-O 3.46Å; C369-C389 WeakPolarHBondContact CA-SG 3.17Å; C369-C389 HydrophobicContact CB-CB 3.68Å; C369-C389 WeakPolarHBondContact CB-SG 2.77Å; C369-C389 WeakPolarHBondContact SG-CB 3.24Å; C369-C389 PolarHBondContact SG-N 2.98Å; C369-C389 CovalentContact SG-SG 2.03Å; C369-C389 PolarHBondContact SG-SG 2.74Å
370	K	95.3	Very high	96.1	Very high	113 Å²	113	69 Å²	69	49%	0.491	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36	-32	-176	-52.3	-179.8	-172.9	-179.9	0	118.3	I357 N364 D367	I357-K370 HydrophobicContact CD1-CB 4.04Å; I357-K370 VanDerWaalsContact CD1-O 3.24Å; I357-K370 WeakPolarHBondContact CD1-O 3.36Å; I357-K370 WeakPolarHBondContact CG1-O 3.26Å; N364-K370 WeakPolarHBondContact O-CE 3.5Å; D367-K370 HydrophobicContact CB-CG 4.21Å; D367-K370 PolarHBondContact OD1-N 3.18Å
371	R	92.6	Very high	96.1	Very high	142 Å²	142	69.9 Å²	69.9	54%	0.536	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-0.1	-174.7	-71.2	-176.6	164.6	179	-3.7	113.7	D351 I357 C369	D351-R371 IonicContact OD2-NH2 2.96Å; I357-R371 HydrophobicContact CD1-CG 3.56Å; I357-R371 HydrophobicContact CG1-CG 4.38Å; C369-R371 PolarHBondContact O-N 3.46Å
372	V	93.8	Very high	96.1	Very high	57 Å²	57	69.6 Å²	69.6	35%	0.345	37%	0.367	S	S	.	.	S	Bend	trans	-134.7	111	-172.5	-179	0	0	0	0	107.9	D358 C369 N374 A388 C389	D358-V372 PolarHBondContact OD2-N 2.88Å; D358-V372 VanDerWaalsContact OD2-O 3.14Å; C369-V372 HydrophobicContact CB-CB 4.39Å; C369-V372 PolarHBondContact O-N 2.55Å; C369-V372 VanDerWaalsContact O-O 3.12Å; V372-N374 PolarHBondContact O-N 2.84Å; V372-N374 VanDerWaalsContact O-N 3.1Å; V372-N374 PolarHBondContact O-OD1 2.75Å; V372-A388 HydrophobicContact CG1-CB 4.07Å; V372-C389 HydrophobicContact CB-CB 4Å; V372-C389 HydrophobicContact CG2-CB 3.82Å
373	P	95.9	Very high	96	Very high	87 Å²	87	68.4 Å²	68.4	57%	0.565	36%	0.361	S	S	*	.			trans	-57.4	118.5	-171.7	-21.2	27.9	0	0	0	112	D358 D360	D358-P373 HydrophobicContact CB-CG 4.05Å; D358-P373 WeakPolarHBondContact O-CG 3.47Å; D360-P373 HydrophobicContact CB-CB 3.8Å
374	N	96	Very high	96	Very high	8 Å²	8	73.7 Å²	73.7	4%	0.043	38%	0.378	C	S	.	.			trans	-147.4	68.6	-176.9	74.8	-37.7	0	0	0	112.2	D360 D367 N368 C369 V372 D376 Q377 A388	D360-N374 WeakPolarHBondContact OD2-CA 3.15Å; D360-N374 PolarHBondContact OD2-N 3.15Å; D367-N374 PolarHBondContact OD1-OD1 3.02Å; N368-N374 PolarHBondContact OD1-ND2 3.14Å; C369-N374 HydrophobicContact CB-CB 4.48Å; C369-N374 WeakPolarHBondContact CB-ND2 3.21Å; C369-N374 WeakPolarHBondContact CB-OD1 3.26Å; V372-N374 PolarHBondContact O-N 2.84Å; V372-N374 VanDerWaalsContact O-N 3.1Å; V372-N374 PolarHBondContact O-OD1 2.75Å; N374-D376 PolarHBondContact O-N 2.81Å; N374-Q377 PolarHBondContact ND2-NE2 3.42Å; N374-Q377 PolarHBondContact O-N 3.07Å; N374-Q377 PolarHBondContact O-NE2 2.93Å; N374-Q377 PolarHBondContact OD1-NE2 3.04Å; N374-A388 HydrophobicContact CB-CB 3.58Å
375	T	96.3	Very high	96	Very high	109 Å²	109	73.2 Å²	73.2	67%	0.669	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-17.8	-178.2	63.9	0	0	0	0	116.3	D360	D360-T375 HydrophobicContact CB-CG2 4Å; D360-T375 WeakPolarHBondContact O-CG2 3.48Å; D360-T375 WeakPolarHBondContact OD2-CA 2.95Å; D360-T375 PolarHBondContact OD2-N 2.96Å
376	D	96.4	Very high	96.1	Very high	113 Å²	113	66.7 Å²	66.7	60%	0.604	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-15	177.5	77.1	-6.1	0	0	0	114.3	N374 K378	N374-D376 PolarHBondContact O-N 2.81Å; D376-K378 PolarHBondContact O-N 3.12Å; D376-K378 VanDerWaalsContact O-N 3.11Å; D376-K378 PolarHBondContact OD1-N 3.35Å; D376-K378 VanDerWaalsContact OD1-N 3.13Å
377	Q	96.8	Very high	96	Very high	46 Å²	46	61.8 Å²	61.8	22%	0.215	32%	0.316	C	S	.	.			trans	45.7	37.7	-178.3	-66.7	-78.3	-61.1	0	0	112.6	I362 L366 D367 N368 N374 D379	I362-Q377 HydrophobicContact CD1-CG 3.25Å; L366-Q377 PolarHBondContact O-OE1 3.28Å; D367-Q377 VanDerWaalsContact CG-NE2 3.25Å; D367-Q377 PolarHBondContact OD1-NE2 2.98Å; D367-Q377 PolarHBondContact OD2-NE2 3.09Å; N368-Q377 PolarHBondContact ND2-O 2.79Å; N368-Q377 VanDerWaalsContact OD1-CD 3.25Å; N368-Q377 PolarHBondContact OD1-NE2 2.91Å; N368-Q377 PolarHBondContact OD1-OE1 3.11Å; N368-Q377 VanDerWaalsContact OD1-OE1 3.06Å; N374-Q377 PolarHBondContact ND2-NE2 3.42Å; N374-Q377 PolarHBondContact O-N 3.07Å; N374-Q377 PolarHBondContact O-NE2 2.93Å; N374-Q377 PolarHBondContact OD1-NE2 3.04Å; Q377-D379 PolarHBondContact O-N 2.82Å
378	K	97.8	Very high	95.9	Very high	97 Å²	97	63.8 Å²	63.8	42%	0.422	33%	0.334	S	S	.	.			trans	-68.7	130.4	-179.3	-169	178.7	170.6	-161.4	0	109.3	D376 G386 D387	D376-K378 PolarHBondContact O-N 3.12Å; D376-K378 VanDerWaalsContact O-N 3.11Å; D376-K378 PolarHBondContact OD1-N 3.35Å; D376-K378 VanDerWaalsContact OD1-N 3.13Å; K378-G386 CarbonylContact O-C 3.52Å; K378-G386 WeakPolarHBondContact O-CA 2.94Å; K378-D387 HydrophobicContact CB-CB 4.48Å; K378-D387 WeakPolarHBondContact CD-OD2 3.24Å; K378-D387 WeakPolarHBondContact CE-OD2 3.23Å; K378-D387 IonicContact NZ-OD2 2.8Å; K378-D387 PolarHBondContact NZ-OD2 3.03Å; K378-D387 PolarHBondContact O-N 2.83Å
379	D	96.8	Very high	95.8	Very high	53 Å²	53	64.5 Å²	64.5	28%	0.283	34%	0.341	S	S	.	.			trans	-138.9	100.8	177.2	167.2	2.7	0	0	0	106.5	Q377 G382 D383 K384	Q377-D379 PolarHBondContact O-N 2.82Å; D379-G382 WeakPolarHBondContact OD1-CA 3.29Å; D379-G382 PolarHBondContact OD1-N 3.45Å; D379-D383 PolarHBondContact OD1-N 2.66Å; D379-K384 WeakPolarHBondContact OD2-CA 3.23Å; D379-K384 PolarHBondContact OD2-N 2.97Å; D379-K384 VanDerWaalsContact OD2-N 3.16Å
380	R	96.6	Very high	95.8	Very high	112 Å²	112	64.9 Å²	64.9	42%	0.423	34%	0.342	S	S	.	.	S	Bend	trans	-80.3	-38.7	-167.6	-178.5	177.9	-49.2	-172.8	11.3	113.4	D387 Y394	R380-D387 WeakPolarHBondContact CB-OD1 3.4Å; R380-D387 IonicContact CZ-OD2 3.48Å; R380-D387 PolarHBondContact N-OD1 3.03Å; R380-D387 IonicContact NE-OD2 3.27Å; R380-D387 PolarHBondContact NE-OD2 3.02Å; R380-D387 IonicContact NH2-OD2 3.64Å; R380-D387 PolarHBondContact NH2-OD2 3.39Å; R380-Y394 PolarHBondContact NH1-OH 2.95Å
381	D	96.3	Very high	95.7	Very high	41 Å²	41	60.6 Å²	60.6	22%	0.219	33%	0.327	C	S	.	.	S	Bend	trans	-96.8	-9.8	-176	72.1	11	0	0	0	113.2	D383 V395 S396	D381-D383 VanDerWaalsContact OD1-CB 3.32Å; D381-D383 WeakPolarHBondContact OD1-CB 3.44Å; D381-D383 PolarHBondContact OD1-N 3.39Å; D381-D383 VanDerWaalsContact OD1-N 3.08Å; D381-V395 PolarHBondContact OD2-N 2.82Å; D381-V395 VanDerWaalsContact OD2-N 3.11Å; D381-S396 WeakPolarHBondContact OD2-CA 3.07Å; D381-S396 PolarHBondContact OD2-N 2.68Å
382	G	96.3	Very high	95.8	Very high	52 Å²	52	53.9 Å²	53.9	54%	0.536	30%	0.302	S	S	.	.	S	Bend	trans	79.4	25	171.9	0	0	0	0	0	113.7	D379 K384	D379-G382 WeakPolarHBondContact OD1-CA 3.29Å; D379-G382 PolarHBondContact OD1-N 3.45Å; G382-K384 VanDerWaalsContact C-N 3.33Å
383	D	96.2	Very high	95.8	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	29%	0.293	C	S	.	.	S	Bend	trans	-86	-7.5	-177.8	92.5	-19.3	0	0	0	113.9	D379 D381 V385 S396 N397 P398	D379-D383 PolarHBondContact OD1-N 2.66Å; D381-D383 VanDerWaalsContact OD1-CB 3.32Å; D381-D383 WeakPolarHBondContact OD1-CB 3.44Å; D381-D383 PolarHBondContact OD1-N 3.39Å; D381-D383 VanDerWaalsContact OD1-N 3.08Å; D383-V385 WeakPolarHBondContact OD1-CA 3.41Å; D383-V385 VanDerWaalsContact OD1-CB 3.3Å; D383-V385 WeakPolarHBondContact OD1-CB 3.32Å; D383-V385 PolarHBondContact OD1-N 3.06Å; D383-S396 WeakPolarHBondContact CB-OG 3.47Å; D383-N397 WeakPolarHBondContact OD2-CA 3.17Å; D383-N397 PolarHBondContact OD2-N 3.4Å; D383-N397 PolarHBondContact OD2-OD1 2.93Å; D383-P398 HydrophobicContact CB-CG 3.96Å; D383-P398 VanDerWaalsContact OD2-N 3.13Å
384	K	95.1	Very high	95.7	Very high	168 Å²	168	56.1 Å²	56.1	73%	0.73	30%	0.297	S	S	*	.	S	Bend	trans	81.3	10.1	-178.3	-49.7	170	-177.1	170.5	0	115.5	D379 G382	D379-K384 WeakPolarHBondContact OD2-CA 3.23Å; D379-K384 PolarHBondContact OD2-N 2.97Å; D379-K384 VanDerWaalsContact OD2-N 3.16Å; G382-K384 VanDerWaalsContact C-N 3.33Å
385	V	96.8	Very high	95.7	Very high	21 Å²	21	58.7 Å²	58.7	13%	0.127	31%	0.313	C	S	.	.	S	Bend	trans	-100.6	132.6	164	-169.3	0	0	0	0	106.4	D383 C389 D390 Q400	D383-V385 WeakPolarHBondContact OD1-CA 3.41Å; D383-V385 VanDerWaalsContact OD1-CB 3.3Å; D383-V385 WeakPolarHBondContact OD1-CB 3.32Å; D383-V385 PolarHBondContact OD1-N 3.06Å; V385-C389 VanDerWaalsContact CG1-SG 3.53Å; V385-D390 HydrophobicContact CB-CB 4.21Å; V385-D390 HydrophobicContact CG1-CB 3.83Å; V385-Q400 HydrophobicContact CB-CG 4.48Å; V385-Q400 HydrophobicContact CG1-CG 4.12Å; V385-Q400 HydrophobicContact CG2-CG 3.81Å
386	G	96.6	Very high	95.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.305	C	S	.	.			trans	-77.4	152.2	-177.9	0	0	0	0	0	112.6	N368 C369 K378 A388 C389 D390	N368-G386 VanDerWaalsContact CG-CA 3.48Å; N368-G386 VanDerWaalsContact ND2-CA 3.32Å; N368-G386 WeakPolarHBondContact ND2-CA 3.17Å; N368-G386 PolarHBondContact O-N 3.32Å; C369-G386 WeakPolarHBondContact SG-CA 3.3Å; C369-G386 PolarHBondContact SG-N 2.88Å; C369-G386 PolarHBondContact SG-O 3.46Å; K378-G386 CarbonylContact O-C 3.52Å; K378-G386 WeakPolarHBondContact O-CA 2.94Å; G386-A388 PolarHBondContact O-N 2.84Å; G386-C389 PolarHBondContact O-N 3.15Å; G386-D390 WeakPolarHBondContact O-CB 3.44Å; G386-D390 PolarHBondContact O-N 3.04Å
387	D	95.7	Very high	95.6	Very high	28 Å²	28	51.6 Å²	51.6	15%	0.15	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-26.9	-179.5	-76.4	26.3	0	0	0	112.9	K378 R380	K378-D387 HydrophobicContact CB-CB 4.48Å; K378-D387 WeakPolarHBondContact CD-OD2 3.24Å; K378-D387 WeakPolarHBondContact CE-OD2 3.23Å; K378-D387 IonicContact NZ-OD2 2.8Å; K378-D387 PolarHBondContact NZ-OD2 3.03Å; K378-D387 PolarHBondContact O-N 2.83Å; R380-D387 WeakPolarHBondContact CB-OD1 3.4Å; R380-D387 IonicContact CZ-OD2 3.48Å; R380-D387 PolarHBondContact N-OD1 3.03Å; R380-D387 IonicContact NE-OD2 3.27Å; R380-D387 PolarHBondContact NE-OD2 3.02Å; R380-D387 IonicContact NH2-OD2 3.64Å; R380-D387 PolarHBondContact NH2-OD2 3.39Å
388	A	94.7	Very high	95.5	Very high	54 Å²	54	53.5 Å²	53.5	45%	0.446	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.6	-177.2	0	0	0	0	0	114.3	V372 N374 G386	V372-A388 HydrophobicContact CG1-CB 4.07Å; N374-A388 HydrophobicContact CB-CB 3.58Å; G386-A388 PolarHBondContact O-N 2.84Å
389	C	94.3	Very high	95.3	Very high	43 Å²	43	53.7 Å²	53.7	29%	0.291	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	4.1	-177.1	67.6	0	0	0	0	112.9	C369 V372 V385 G386 Q400	C369-C389 WeakPolarHBondContact CA-SG 3.17Å; C369-C389 HydrophobicContact CB-CB 3.68Å; C369-C389 WeakPolarHBondContact CB-SG 2.77Å; C369-C389 WeakPolarHBondContact SG-CB 3.24Å; C369-C389 PolarHBondContact SG-N 2.98Å; C369-C389 CovalentContact SG-SG 2.03Å; C369-C389 PolarHBondContact SG-SG 2.74Å; V372-C389 HydrophobicContact CB-CB 4Å; V372-C389 HydrophobicContact CG2-CB 3.82Å; V385-C389 VanDerWaalsContact CG1-SG 3.53Å; G386-C389 PolarHBondContact O-N 3.15Å; C389-Q400 PolarHBondContact O-OE1 3.04Å
390	D	95.4	Very high	95.2	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.059	30%	0.297	C	S	.	.			trans	-82.3	120.6	177.4	-176.6	1.8	0	0	0	109.9	V385 G386 C392 P393 N397 Q400	V385-D390 HydrophobicContact CB-CB 4.21Å; V385-D390 HydrophobicContact CG1-CB 3.83Å; G386-D390 WeakPolarHBondContact O-CB 3.44Å; G386-D390 PolarHBondContact O-N 3.04Å; D390-C392 VanDerWaalsContact CG-C 3.48Å; D390-C392 PolarHBondContact O-N 3.31Å; D390-C392 PolarHBondContact OD1-N 2.85Å; D390-P393 HydrophobicContact CB-CG 4.42Å; D390-P393 VanDerWaalsContact O-CD 3.3Å; D390-P393 WeakPolarHBondContact O-CD 3Å; D390-P393 VanDerWaalsContact O-CG 3.31Å; D390-P393 WeakPolarHBondContact O-CG 3.45Å; D390-P393 VanDerWaalsContact OD2-CA 3.25Å; D390-P393 WeakPolarHBondContact OD2-CA 3.49Å; D390-N397 PolarHBondContact OD1-OD1 2.86Å; D390-Q400 PolarHBondContact OD1-NE2 3.02Å
391	S	94	Very high	95	Very high	23 Å²	23	52.7 Å²	52.7	16%	0.161	30%	0.299	C	S	.	.	S	Bend	trans	-70.5	-13.4	175.7	66.3	0	0	0	0	113.2	N397 Q400 G409 C412	S391-N397 PolarHBondContact OG-ND2 3.08Å; S391-Q400 PolarHBondContact OG-OE1 2.83Å; S391-G409 PolarHBondContact O-N 3.04Å; S391-G409 VanDerWaalsContact OG-CA 3.25Å; S391-G409 WeakPolarHBondContact OG-CA 3.45Å; S391-G409 PolarHBondContact OG-N 3.11Å; S391-C412 PolarHBondContact O-SG 2.03Å
392	C	94.1	Very high	94.8	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.014	30%	0.299	C	S	.	.	S	Bend	trans	-136.7	71.3	172.3	-64.9	0	0	0	0	113.1	D390 Y394 V395 G409 C412	D390-C392 VanDerWaalsContact CG-C 3.48Å; D390-C392 PolarHBondContact O-N 3.31Å; D390-C392 PolarHBondContact OD1-N 2.85Å; C392-Y394 PolarHBondContact O-N 2.91Å; C392-V395 HydrophobicContact CB-CB 4.23Å; C392-V395 WeakPolarHBondContact CB-O 3.28Å; C392-V395 PolarHBondContact O-N 3.05Å; C392-G409 WeakPolarHBondContact SG-CA 3.22Å; C392-G409 PolarHBondContact SG-O 2.75Å; C392-C412 WeakPolarHBondContact CA-SG 3.03Å; C392-C412 HydrophobicContact CB-CB 3.75Å; C392-C412 WeakPolarHBondContact CB-SG 3.46Å; C392-C412 WeakPolarHBondContact SG-CB 3.46Å; C392-C412 PolarHBondContact SG-N 3.48Å; C392-C412 VanDerWaalsContact SG-N 3.37Å; C392-C412 CovalentContact SG-SG 2.03Å; C392-C412 PolarHBondContact SG-SG 3.31Å
393	P	94.8	Very high	94.6	Very high	25 Å²	25	56.8 Å²	56.8	16%	0.162	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-2	-172.5	-25.6	35.1	0	0	0	118	D390	D390-P393 HydrophobicContact CB-CG 4.42Å; D390-P393 VanDerWaalsContact O-CD 3.3Å; D390-P393 WeakPolarHBondContact O-CD 3Å; D390-P393 VanDerWaalsContact O-CG 3.31Å; D390-P393 WeakPolarHBondContact O-CG 3.45Å; D390-P393 VanDerWaalsContact OD2-CA 3.25Å; D390-P393 WeakPolarHBondContact OD2-CA 3.49Å
394	Y	93.4	Very high	94.3	Very high	165 Å²	165	57.3 Å²	57.3	65%	0.647	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-5.1	-178.7	-60.9	-89.8	0	0	0	113.1	R380 C392	R380-Y394 PolarHBondContact NH1-OH 2.95Å; C392-Y394 PolarHBondContact O-N 2.91Å
395	V	94.6	Very high	94.1	Very high	62 Å²	62	51.3 Å²	51.3	38%	0.376	29%	0.285	S	S	.	.	S	Bend	trans	-140.1	104.6	-171.6	-177	0	0	0	0	110.4	D381 C392 N397 P411 C412	D381-V395 PolarHBondContact OD2-N 2.82Å; D381-V395 VanDerWaalsContact OD2-N 3.11Å; C392-V395 HydrophobicContact CB-CB 4.23Å; C392-V395 WeakPolarHBondContact CB-O 3.28Å; C392-V395 PolarHBondContact O-N 3.05Å; V395-N397 PolarHBondContact O-N 3.06Å; V395-N397 VanDerWaalsContact O-N 3.13Å; V395-N397 PolarHBondContact O-OD1 2.04Å; V395-N397 VanDerWaalsContact O-OD1 3.1Å; V395-P411 HydrophobicContact CG1-CB 3.95Å; V395-C412 HydrophobicContact CG2-CB 4.38Å
396	S	95.9	Very high	93.8	Very high	71 Å²	71	51.6 Å²	51.6	50%	0.497	29%	0.286	S	S	.	.			trans	-49.1	116.8	-175.8	178.4	0	0	0	0	113.9	D381 D383	D381-S396 WeakPolarHBondContact OD2-CA 3.07Å; D381-S396 PolarHBondContact OD2-N 2.68Å; D383-S396 WeakPolarHBondContact CB-OG 3.47Å
397	N	95	Very high	93.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.011	31%	0.306	C	S	.	.			trans	-145.7	69.3	-178.1	64.4	-39.3	0	0	0	111.2	D383 D390 S391 V395 D399 Q400 P411	D383-N397 WeakPolarHBondContact OD2-CA 3.17Å; D383-N397 PolarHBondContact OD2-N 3.4Å; D383-N397 PolarHBondContact OD2-OD1 2.93Å; D390-N397 PolarHBondContact OD1-OD1 2.86Å; S391-N397 PolarHBondContact OG-ND2 3.08Å; V395-N397 PolarHBondContact O-N 3.06Å; V395-N397 VanDerWaalsContact O-N 3.13Å; V395-N397 PolarHBondContact O-OD1 2.04Å; V395-N397 VanDerWaalsContact O-OD1 3.1Å; N397-D399 PolarHBondContact O-N 3.24Å; N397-Q400 PolarHBondContact ND2-NE2 3.13Å; N397-Q400 VanDerWaalsContact ND2-NE2 3.13Å; N397-Q400 PolarHBondContact O-N 3.1Å; N397-Q400 PolarHBondContact O-NE2 2.85Å; N397-Q400 PolarHBondContact OD1-NE2 3.21Å; N397-P411 HydrophobicContact CB-CB 4.28Å; N397-P411 HydrophobicContact CB-CG 3.62Å
398	P	94.5	Very high	93.5	Very high	87 Å²	87	55.1 Å²	55.1	57%	0.565	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.1	-173.3	-21.8	29.8	0	0	0	115.9	D383	D383-P398 HydrophobicContact CB-CG 3.96Å; D383-P398 VanDerWaalsContact OD2-N 3.13Å
399	D	94.2	Very high	93.4	Very high	101 Å²	101	52.5 Å²	52.5	54%	0.54	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-12.6	178.5	53.8	-6.4	0	0	0	113.8	N397 L401	N397-D399 PolarHBondContact O-N 3.24Å; D399-L401 HydrophobicContact CB-CD1 4.48Å; D399-L401 HydrophobicContact CB-CG 4.08Å; D399-L401 PolarHBondContact O-N 3.11Å; D399-L401 VanDerWaalsContact O-N 3.08Å; D399-L401 VanDerWaalsContact OD2-CD1 3.3Å; D399-L401 WeakPolarHBondContact OD2-CD1 3.09Å
400	Q	94.4	Very high	93.4	Very high	52 Å²	52	53.2 Å²	53.2	24%	0.243	28%	0.284	C	S	.	.			trans	49.5	36.8	174.9	-60.7	-72.5	-58.9	0	0	112.5	V385 C389 D390 S391 N397 D402	V385-Q400 HydrophobicContact CB-CG 4.48Å; V385-Q400 HydrophobicContact CG1-CG 4.12Å; V385-Q400 HydrophobicContact CG2-CG 3.81Å; C389-Q400 PolarHBondContact O-OE1 3.04Å; D390-Q400 PolarHBondContact OD1-NE2 3.02Å; S391-Q400 PolarHBondContact OG-OE1 2.83Å; N397-Q400 PolarHBondContact ND2-NE2 3.13Å; N397-Q400 VanDerWaalsContact ND2-NE2 3.13Å; N397-Q400 PolarHBondContact O-N 3.1Å; N397-Q400 PolarHBondContact O-NE2 2.85Å; N397-Q400 PolarHBondContact OD1-NE2 3.21Å; Q400-D402 PolarHBondContact O-N 3.04Å
401	L	93.4	Very high	93.3	Very high	91 Å²	91	55.9 Å²	55.9	48%	0.476	30%	0.301	S	S	.	.			trans	-68.1	131.3	177.2	-66.4	175.7	0	0	0	109.7	D399 G409 D410	D399-L401 HydrophobicContact CB-CD1 4.48Å; D399-L401 HydrophobicContact CB-CG 4.08Å; D399-L401 PolarHBondContact O-N 3.11Å; D399-L401 VanDerWaalsContact O-N 3.08Å; D399-L401 VanDerWaalsContact OD2-CD1 3.3Å; D399-L401 WeakPolarHBondContact OD2-CD1 3.09Å; L401-G409 WeakPolarHBondContact O-CA 3.5Å; L401-D410 PolarHBondContact O-N 2.75Å
402	D	92.6	Very high	93.2	Very high	38 Å²	38	55.9 Å²	55.9	20%	0.203	30%	0.301	C	S	.	.			trans	-137.9	99.4	176	170.7	1.6	0	0	0	106.3	Q400 N405 D406 L407	Q400-D402 PolarHBondContact O-N 3.04Å; D402-N405 WeakPolarHBondContact OD1-CA 3.16Å; D402-N405 PolarHBondContact OD1-N 3.21Å; D402-N405 WeakPolarHBondContact OD2-CA 3.43Å; D402-D406 PolarHBondContact OD1-N 2.83Å; D402-D406 PolarHBondContact OD2-N 3.13Å; D402-L407 WeakPolarHBondContact OD2-CA 3.37Å; D402-L407 PolarHBondContact OD2-N 2.97Å
403	M	90.6	Very high	93.2	Very high	142 Å²	142	57.3 Å²	57.3	70%	0.7	31%	0.308	S	S	*	.	S	Bend	trans	-76.8	-36.2	-171.1	-175	172.5	-55.3	0	0	113.3	N405 D410	M403-N405 PolarHBondContact O-ND2 2.81Å; M403-D410 PolarHBondContact N-OD1 3.07Å
404	D	89.6	Confident	93	Very high	18 Å²	18	60.1 Å²	60.1	10%	0.096	33%	0.325	C	S	.	.	S	Bend	trans	-101.2	4.5	-178	52.5	5.2	0	0	0	113.4	D406 N415 D591 S592	D404-D406 VanDerWaalsContact C-N 3.31Å; D404-D406 PolarHBondContact O-N 2.8Å; D404-N415 PolarHBondContact OD2-ND2 3.34Å; D404-D591 HydrophobicContact CB-CB 4.33Å; D404-S592 WeakPolarHBondContact CA-OG 3.23Å; D404-S592 WeakPolarHBondContact O-CB 3.1Å; D404-S592 PolarHBondContact O-N 2.82Å; D404-S592 PolarHBondContact O-OG 3.36Å
405	N	92	Very high	92.9	Very high	42 Å²	42	57 Å²	57	23%	0.225	32%	0.32	C	S	.	.			trans	61.6	34.2	169.9	-61.4	-98.8	0	0	0	113.5	D402 M403 Q521 V523 Y589	D402-N405 WeakPolarHBondContact OD1-CA 3.16Å; D402-N405 PolarHBondContact OD1-N 3.21Å; D402-N405 WeakPolarHBondContact OD2-CA 3.43Å; M403-N405 PolarHBondContact O-ND2 2.81Å; N405-Q521 PolarHBondContact O-NE2 3.18Å; N405-V523 HydrophobicContact CB-CG1 4.28Å; N405-Y589 PolarHBondContact O-OH 3.41Å
406	D	89.9	Confident	92.9	Very high	26 Å²	26	59.8 Å²	59.8	14%	0.139	33%	0.327	C	S	.	.	S	Bend	trans	-91.8	0.9	179.2	80	-13.6	0	0	0	113.6	D402 D404 I408 D591	D402-D406 PolarHBondContact OD1-N 2.83Å; D402-D406 PolarHBondContact OD2-N 3.13Å; D404-D406 VanDerWaalsContact C-N 3.31Å; D404-D406 PolarHBondContact O-N 2.8Å; D406-I408 VanDerWaalsContact C-N 3.3Å; D406-I408 WeakPolarHBondContact OD1-CA 3.21Å; D406-I408 VanDerWaalsContact OD1-CB 3.28Å; D406-I408 WeakPolarHBondContact OD1-CB 3.35Å; D406-I408 PolarHBondContact OD1-N 2.85Å; D406-D591 HydrophobicContact CB-CB 3.71Å
407	L	92.1	Very high	92.8	Very high	83 Å²	83	58.7 Å²	58.7	44%	0.435	32%	0.316	S	S	.	.	S	Bend	trans	77.2	6	-176	-46.3	173.5	0	0	0	114.6	D402 Y560	D402-L407 WeakPolarHBondContact OD2-CA 3.37Å; D402-L407 PolarHBondContact OD2-N 2.97Å; L407-Y560 HydrophobicContact CD1-CD1 4.21Å; L407-Y560 HydrophobicContact CD1-CE1 4.22Å
408	I	93.3	Very high	92.8	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.097	34%	0.341	C	S	.	.	S	Bend	trans	-108.1	128.5	175.1	-53	-178.7	0	0	0	108.4	D406 D413 Q424 Q427	D406-I408 VanDerWaalsContact C-N 3.3Å; D406-I408 WeakPolarHBondContact OD1-CA 3.21Å; D406-I408 VanDerWaalsContact OD1-CB 3.28Å; D406-I408 WeakPolarHBondContact OD1-CB 3.35Å; D406-I408 PolarHBondContact OD1-N 2.85Å; I408-D413 HydrophobicContact CB-CB 4.45Å; I408-D413 HydrophobicContact CG2-CB 3.94Å; I408-Q424 HydrophobicContact CD1-CG 3.75Å; I408-Q427 HydrophobicContact CD1-CG 4.44Å
409	G	93.4	Very high	92.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.317	C	S	.	.			trans	-70.6	145.4	-177.5	0	0	0	0	0	112.8	S391 C392 L401 P411 C412 D413	S391-G409 PolarHBondContact O-N 3.04Å; S391-G409 VanDerWaalsContact OG-CA 3.25Å; S391-G409 WeakPolarHBondContact OG-CA 3.45Å; S391-G409 PolarHBondContact OG-N 3.11Å; C392-G409 WeakPolarHBondContact SG-CA 3.22Å; C392-G409 PolarHBondContact SG-O 2.75Å; L401-G409 WeakPolarHBondContact O-CA 3.5Å; G409-P411 WeakPolarHBondContact O-CD 3.47Å; G409-C412 PolarHBondContact O-N 2.99Å; G409-C412 PolarHBondContact O-SG 3.42Å; G409-C412 VanDerWaalsContact O-SG 3.42Å; G409-D413 WeakPolarHBondContact O-CB 3.24Å; G409-D413 PolarHBondContact O-N 2.86Å
410	D	93.4	Very high	92.8	Very high	58 Å²	58	54.8 Å²	54.8	31%	0.31	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-36.2	178.9	-66.4	-7.7	0	0	0	114.2	L401 M403 C412	L401-D410 PolarHBondContact O-N 2.75Å; M403-D410 PolarHBondContact N-OD1 3.07Å; D410-C412 PolarHBondContact O-N 3.39Å
411	P	93.6	Very high	92.9	Very high	67 Å²	67	52.4 Å²	52.4	44%	0.435	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.7	-178.5	-26.9	43	0	0	0	115.3	V395 N397 G409	V395-P411 HydrophobicContact CG1-CB 3.95Å; N397-P411 HydrophobicContact CB-CB 4.28Å; N397-P411 HydrophobicContact CB-CG 3.62Å; G409-P411 WeakPolarHBondContact O-CD 3.47Å
412	C	92.6	Very high	92.9	Very high	23 Å²	23	49 Å²	49	16%	0.155	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-8.4	178.5	64	0	0	0	0	113.4	S391 C392 V395 G409 D410 T414 Q424	S391-C412 PolarHBondContact O-SG 2.03Å; C392-C412 WeakPolarHBondContact CA-SG 3.03Å; C392-C412 HydrophobicContact CB-CB 3.75Å; C392-C412 WeakPolarHBondContact CB-SG 3.46Å; C392-C412 WeakPolarHBondContact SG-CB 3.46Å; C392-C412 PolarHBondContact SG-N 3.48Å; C392-C412 VanDerWaalsContact SG-N 3.37Å; C392-C412 CovalentContact SG-SG 2.03Å; C392-C412 PolarHBondContact SG-SG 3.31Å; V395-C412 HydrophobicContact CG2-CB 4.38Å; G409-C412 PolarHBondContact O-N 2.99Å; G409-C412 PolarHBondContact O-SG 3.42Å; G409-C412 VanDerWaalsContact O-SG 3.42Å; D410-C412 PolarHBondContact O-N 3.39Å; C412-T414 PolarHBondContact O-N 2.78Å; C412-Q424 PolarHBondContact O-NE2 3.03Å; C412-Q424 VanDerWaalsContact O-NE2 3.1Å
413	D	93.6	Very high	93	Very high	31 Å²	31	49.8 Å²	49.8	17%	0.166	28%	0.279	C	S	.	.			trans	-70	120	170.6	173.5	25.7	0	0	0	110.9	I408 G409 N415	I408-D413 HydrophobicContact CB-CB 4.45Å; I408-D413 HydrophobicContact CG2-CB 3.94Å; G409-D413 WeakPolarHBondContact O-CB 3.24Å; G409-D413 PolarHBondContact O-N 2.86Å; D413-N415 WeakPolarHBondContact OD1-CA 3.48Å; D413-N415 PolarHBondContact OD1-N 3.25Å; D413-N415 PolarHBondContact OD1-ND2 3.37Å; D413-N415 PolarHBondContact OD2-ND2 3.31Å
414	T	92.1	Very high	93.2	Very high	84 Å²	84	43.4 Å²	43.4	52%	0.515	25%	0.248	S	C	.	.			trans	-104.6	-13.1	177.5	63.8	0	0	0	0	112.6	C412 K416 Q424	C412-T414 PolarHBondContact O-N 2.78Å; T414-K416 PolarHBondContact O-N 2.83Å; T414-Q424 PolarHBondContact OG1-OE1 3.01Å
415	N	90.3	Very high	93.4	Very high	101 Å²	101	44.2 Å²	44.2	54%	0.54	25%	0.252	S	S	.	.			trans	52.4	23.1	-177	-101.7	-68.1	0	0	0	112.7	D404 D413	D404-N415 PolarHBondContact OD2-ND2 3.34Å; D413-N415 WeakPolarHBondContact OD1-CA 3.48Å; D413-N415 PolarHBondContact OD1-N 3.25Å; D413-N415 PolarHBondContact OD1-ND2 3.37Å; D413-N415 PolarHBondContact OD2-ND2 3.31Å
416	K	93.9	Very high	93.3	Very high	120 Å²	120	46.2 Å²	46.2	52%	0.522	27%	0.269	S	S	.	.			trans	-108	95.4	-176.3	-174.9	174	-179.8	-74.4	0	109	T414 Q424 D425	T414-K416 PolarHBondContact O-N 2.83Å; K416-Q424 WeakPolarHBondContact O-CA 3.06Å; K416-D425 IonicContact NZ-OD2 2.87Å; K416-D425 PolarHBondContact NZ-OD2 2.97Å; K416-D425 VanDerWaalsContact O-CG 3.24Å; K416-D425 PolarHBondContact O-N 2.86Å
417	D	95.1	Very high	93.4	Very high	48 Å²	48	49.4 Å²	49.4	26%	0.257	28%	0.284	S	S	.	.			trans	-116.2	112.4	175.8	169.7	1.3	0	0	0	107.8	D419 G420 D421 G422 H423	D417-D419 PolarHBondContact OD1-N 2.94Å; D417-G420 VanDerWaalsContact OD1-CA 3.32Å; D417-G420 WeakPolarHBondContact OD1-CA 3.05Å; D417-G420 PolarHBondContact OD1-N 3.39Å; D417-G420 WeakPolarHBondContact OD2-CA 3.28Å; D417-D421 PolarHBondContact OD2-N 3.1Å; D417-D421 VanDerWaalsContact OD2-N 3.11Å; D417-G422 PolarHBondContact OD2-N 3.5Å; D417-H423 WeakPolarHBondContact CB-O 3.27Å
418	S	94.6	Very high	93.7	Very high	77 Å²	77	46 Å²	46	54%	0.538	27%	0.266	S	S	.	.	S	Bend	trans	-81.6	-28	-171.6	-66	0	0	0	0	113.8	D425	S418-D425 WeakPolarHBondContact CB-OD1 3.25Å; S418-D425 PolarHBondContact N-OD1 3.08Å; S418-D425 PolarHBondContact OG-OD1 2.88Å; S418-D425 PolarHBondContact OG-OD2 2.92Å
419	D	94.8	Very high	93.8	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.059	27%	0.267	C	S	.	.	S	Bend	trans	-106.6	-13.9	-178.3	66	19.7	0	0	0	113.9	D417 D421 V433 I434 R704	D417-D419 PolarHBondContact OD1-N 2.94Å; D419-D421 WeakPolarHBondContact OD1-CB 3.32Å; D419-D421 PolarHBondContact OD1-N 2.82Å; D419-V433 PolarHBondContact OD2-N 3.06Å; D419-I434 HydrophobicContact CB-CG1 4.2Å; D419-I434 PolarHBondContact OD2-N 2.7Å; D419-R704 WeakPolarHBondContact O-CD 3.39Å; D419-R704 PolarHBondContact O-NH1 2.84Å
420	G	94.3	Very high	94	Very high	20 Å²	20	46.4 Å²	46.4	21%	0.206	27%	0.268	C	S	.	.	S	Bend	trans	88.8	18.6	169.9	0	0	0	0	0	114.2	D417 Q590 R704	D417-G420 VanDerWaalsContact OD1-CA 3.32Å; D417-G420 WeakPolarHBondContact OD1-CA 3.05Å; D417-G420 PolarHBondContact OD1-N 3.39Å; D417-G420 WeakPolarHBondContact OD2-CA 3.28Å; G420-Q590 PolarHBondContact O-NE2 3.02Å; G420-R704 VanDerWaalsContact O-CB 3.31Å; G420-R704 WeakPolarHBondContact O-CB 3.12Å; G420-R704 PolarHBondContact O-N 2.68Å
421	D	95.3	Very high	94.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.271	C	S	.	.	S	Bend	trans	-82.2	-12.3	-173.9	89.3	-16.5	0	0	0	114.3	D417 D419 H423 I434 N435 S436 Q590	D417-D421 PolarHBondContact OD2-N 3.1Å; D417-D421 VanDerWaalsContact OD2-N 3.11Å; D419-D421 WeakPolarHBondContact OD1-CB 3.32Å; D419-D421 PolarHBondContact OD1-N 2.82Å; D421-H423 IonicContact OD1-CD2 2.84Å; D421-H423 IonicContact OD1-CG 3.31Å; D421-H423 PolarHBondContact OD1-N 3.47Å; D421-H423 IonicContact OD2-CD2 2.81Å; D421-I434 HydrophobicContact CB-CB 4.28Å; D421-I434 HydrophobicContact CB-CG2 3.76Å; D421-N435 PolarHBondContact OD2-N 2.88Å; D421-N435 PolarHBondContact OD2-OD1 3.14Å; D421-S436 PolarHBondContact O-OG 3.17Å; D421-S436 WeakPolarHBondContact OD2-CA 3.45Å; D421-S436 PolarHBondContact OD2-N 3.39Å; D421-Q590 PolarHBondContact O-NE2 3.19Å
422	G	93.7	Very high	94.2	Very high	21 Å²	21	47.2 Å²	47.2	22%	0.216	28%	0.284	C	S	.	.	S	Bend	trans	107.1	-6.2	178.5	0	0	0	0	0	114.6	D417 Q590	D417-G422 PolarHBondContact OD2-N 3.5Å; G422-Q590 VanDerWaalsContact CA-CD 3.42Å; G422-Q590 VanDerWaalsContact N-NE2 3.1Å
423	H	94.7	Very high	94.3	Very high	54 Å²	54	48.8 Å²	48.8	25%	0.25	29%	0.293	C	S	.	.	S	Bend	trans	-101.3	132.2	172.2	-64	-76.9	0	0	0	109.8	D417 D421 D428 S436 Q438	D417-H423 WeakPolarHBondContact CB-O 3.27Å; D421-H423 IonicContact OD1-CD2 2.84Å; D421-H423 IonicContact OD1-CG 3.31Å; D421-H423 PolarHBondContact OD1-N 3.47Å; D421-H423 IonicContact OD2-CD2 2.81Å; H423-D428 HydrophobicContact CB-CB 3.92Å; H423-S436 PolarHBondContact NE2-O 2.93Å; H423-Q438 VanDerWaalsContact CD2-CG 3.43Å; H423-Q438 WeakPolarHBondContact CD2-CG 3.48Å; H423-Q438 WeakPolarHBondContact NE2-CG 2.94Å
424	Q	94.9	Very high	94.4	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.033	29%	0.287	C	S	.	.			trans	-69.2	146.5	174.9	60.8	172	9.7	0	0	111.1	I408 C412 T414 K416 S426 Q427 D428	I408-Q424 HydrophobicContact CD1-CG 3.75Å; C412-Q424 PolarHBondContact O-NE2 3.03Å; C412-Q424 VanDerWaalsContact O-NE2 3.1Å; T414-Q424 PolarHBondContact OG1-OE1 3.01Å; K416-Q424 WeakPolarHBondContact O-CA 3.06Å; Q424-S426 PolarHBondContact NE2-OG 3.27Å; Q424-S426 VanDerWaalsContact NE2-OG 3.11Å; Q424-S426 PolarHBondContact O-N 3.11Å; Q424-Q427 HydrophobicContact CG-CB 4.09Å; Q424-Q427 HydrophobicContact CG-CG 4Å; Q424-Q427 PolarHBondContact O-N 2.74Å; Q424-D428 WeakPolarHBondContact O-CB 3.35Å; Q424-D428 PolarHBondContact O-N 2.81Å
425	D	94.6	Very high	94.6	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.193	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-22.8	-175.5	-66.4	-11.9	0	0	0	115.1	K416 S418	K416-D425 IonicContact NZ-OD2 2.87Å; K416-D425 PolarHBondContact NZ-OD2 2.97Å; K416-D425 VanDerWaalsContact O-CG 3.24Å; K416-D425 PolarHBondContact O-N 2.86Å; S418-D425 WeakPolarHBondContact CB-OD1 3.25Å; S418-D425 PolarHBondContact N-OD1 3.08Å; S418-D425 PolarHBondContact OG-OD1 2.88Å; S418-D425 PolarHBondContact OG-OD2 2.92Å
426	S	90.3	Very high	94.8	Very high	84 Å²	84	39.1 Å²	39.1	59%	0.587	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.3	-178.1	68.3	0	0	0	0	114.9	Q424	Q424-S426 PolarHBondContact NE2-OG 3.27Å; Q424-S426 VanDerWaalsContact NE2-OG 3.11Å; Q424-S426 PolarHBondContact O-N 3.11Å
427	Q	92.1	Very high	94.9	Very high	93 Å²	93	34.4 Å²	34.4	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-9.3	177.3	-66.3	-84.5	20.7	0	0	111.7	I408 Q424	I408-Q427 HydrophobicContact CD1-CG 4.44Å; Q424-Q427 HydrophobicContact CG-CB 4.09Å; Q424-Q427 HydrophobicContact CG-CG 4Å; Q424-Q427 PolarHBondContact O-N 2.74Å
428	D	96.5	Very high	94.9	Very high	11 Å²	11	34 Å²	34	6%	0.059	22%	0.218	C	C	.	.			trans	-81.3	125.1	179.6	-174.5	-6.4	0	0	0	111.5	H423 Q424 C430 P431 N435 Q438	H423-D428 HydrophobicContact CB-CB 3.92Å; Q424-D428 WeakPolarHBondContact O-CB 3.35Å; Q424-D428 PolarHBondContact O-N 2.81Å; D428-C430 VanDerWaalsContact C-N 3.25Å; D428-C430 PolarHBondContact O-N 2.94Å; D428-C430 VanDerWaalsContact OD1-C 3.23Å; D428-C430 WeakPolarHBondContact OD1-CA 3.34Å; D428-C430 PolarHBondContact OD1-N 2.86Å; D428-P431 HydrophobicContact CB-CG 4.27Å; D428-P431 WeakPolarHBondContact O-CD 3.47Å; D428-P431 WeakPolarHBondContact O-CG 3.47Å; D428-P431 WeakPolarHBondContact OD2-CA 3.4Å; D428-N435 PolarHBondContact OD1-OD1 3.07Å; D428-Q438 PolarHBondContact OD1-NE2 3.25Å
429	N	96.7	Very high	95	Very high	25 Å²	25	31.9 Å²	31.9	13%	0.134	20%	0.2	C	C	.	.	S	Bend	trans	-75.4	-11.9	175.6	68	1	0	0	0	113.2	N435 Q438 L439 G447 C450	N429-N435 PolarHBondContact OD1-ND2 2.96Å; N429-Q438 PolarHBondContact ND2-O 3.06Å; N429-Q438 VanDerWaalsContact OD1-CD 3.31Å; N429-Q438 PolarHBondContact OD1-NE2 3.3Å; N429-Q438 PolarHBondContact OD1-OE1 3Å; N429-Q438 VanDerWaalsContact OD1-OE1 3.08Å; N429-L439 PolarHBondContact ND2-O 3.25Å; N429-G447 VanDerWaalsContact CG-CA 3.47Å; N429-G447 VanDerWaalsContact ND2-CA 3.26Å; N429-G447 WeakPolarHBondContact ND2-CA 3.36Å; N429-G447 PolarHBondContact O-N 3.47Å; N429-C450 PolarHBondContact O-SG 2.74Å
430	C	96.8	Very high	95.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.02	21%	0.207	C	C	.	.	S	Bend	trans	-136.8	68.1	171.3	-66.2	0	0	0	0	113.8	D428 A432 V433 N435 G447 C450	D428-C430 VanDerWaalsContact C-N 3.25Å; D428-C430 PolarHBondContact O-N 2.94Å; D428-C430 VanDerWaalsContact OD1-C 3.23Å; D428-C430 WeakPolarHBondContact OD1-CA 3.34Å; D428-C430 PolarHBondContact OD1-N 2.86Å; C430-A432 PolarHBondContact O-N 3.49Å; C430-V433 HydrophobicContact CB-CB 4.26Å; C430-V433 PolarHBondContact O-N 3.01Å; C430-V433 VanDerWaalsContact O-O 3.12Å; C430-N435 WeakPolarHBondContact CB-OD1 3.31Å; C430-G447 WeakPolarHBondContact SG-CA 3.06Å; C430-G447 PolarHBondContact SG-N 3Å; C430-G447 PolarHBondContact SG-O 3.02Å; C430-C450 WeakPolarHBondContact CA-SG 3.04Å; C430-C450 HydrophobicContact CB-CB 3.74Å; C430-C450 WeakPolarHBondContact CB-SG 3.44Å; C430-C450 WeakPolarHBondContact SG-CB 3.44Å; C430-C450 PolarHBondContact SG-N 2.92Å; C430-C450 CovalentContact SG-SG 2.03Å; C430-C450 PolarHBondContact SG-SG 2.88Å
431	P	96.3	Very high	95.1	Very high	56 Å²	56	34.8 Å²	34.8	36%	0.364	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	1.8	-170.8	-27.1	35.8	0	0	0	119.8	D428	D428-P431 HydrophobicContact CB-CG 4.27Å; D428-P431 WeakPolarHBondContact O-CD 3.47Å; D428-P431 WeakPolarHBondContact O-CG 3.47Å; D428-P431 WeakPolarHBondContact OD2-CA 3.4Å
432	A	95	Very high	95.1	Very high	86 Å²	86	36.7 Å²	36.7	71%	0.711	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.6	0.4	179.9	0	0	0	0	0	113.2	C430	C430-A432 PolarHBondContact O-N 3.49Å
433	V	95.1	Very high	95.2	Very high	55 Å²	55	43.6 Å²	43.6	33%	0.333	25%	0.247	S	C	.	.	S	Bend	trans	-132.1	115.9	-176.7	-179.1	0	0	0	0	107.9	D419 C430 N435 E449 C450	D419-V433 PolarHBondContact OD2-N 3.06Å; C430-V433 HydrophobicContact CB-CB 4.26Å; C430-V433 PolarHBondContact O-N 3.01Å; C430-V433 VanDerWaalsContact O-O 3.12Å; V433-N435 PolarHBondContact O-N 3.35Å; V433-N435 VanDerWaalsContact O-N 3.1Å; V433-N435 PolarHBondContact O-OD1 2.96Å; V433-E449 HydrophobicContact CG1-CB 3.98Å; V433-C450 HydrophobicContact CB-CB 4.38Å; V433-C450 HydrophobicContact CG2-CB 4.19Å
434	I	95.6	Very high	95.2	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.056	26%	0.256	C	S	.	.			trans	-54.8	114.7	-177	-59.2	159.2	0	0	0	110.7	D419 D421 Q677 R704	D419-I434 HydrophobicContact CB-CG1 4.2Å; D419-I434 PolarHBondContact OD2-N 2.7Å; D421-I434 HydrophobicContact CB-CB 4.28Å; D421-I434 HydrophobicContact CB-CG2 3.76Å; I434-Q677 PolarHBondContact O-NE2 2.94Å; I434-Q677 VanDerWaalsContact O-NE2 3.09Å; I434-R704 HydrophobicContact CD1-CB 4.08Å; I434-R704 HydrophobicContact CD1-CG 4.24Å; I434-R704 HydrophobicContact CG1-CB 4.2Å; I434-R704 HydrophobicContact CG2-CB 3.84Å; I434-R704 WeakPolarHBondContact CG2-O 3.1Å
435	N	95.8	Very high	95.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	28%	0.276	C	S	.	.			trans	-152.4	61.3	179.1	71	-37.8	0	0	0	111.7	D421 D428 N429 C430 V433 A437 Q438 E449 N564	D421-N435 PolarHBondContact OD2-N 2.88Å; D421-N435 PolarHBondContact OD2-OD1 3.14Å; D428-N435 PolarHBondContact OD1-OD1 3.07Å; N429-N435 PolarHBondContact OD1-ND2 2.96Å; C430-N435 WeakPolarHBondContact CB-OD1 3.31Å; V433-N435 PolarHBondContact O-N 3.35Å; V433-N435 VanDerWaalsContact O-N 3.1Å; V433-N435 PolarHBondContact O-OD1 2.96Å; N435-A437 PolarHBondContact O-N 3.02Å; N435-Q438 PolarHBondContact ND2-NE2 3.49Å; N435-Q438 WeakPolarHBondContact O-CA 3.26Å; N435-Q438 PolarHBondContact O-N 3.07Å; N435-Q438 PolarHBondContact O-NE2 3.09Å; N435-Q438 VanDerWaalsContact O-NE2 3.17Å; N435-Q438 PolarHBondContact OD1-NE2 3.5Å; N435-E449 HydrophobicContact CB-CB 3.86Å; N435-E449 HydrophobicContact CB-CG 3.64Å; N435-N564 WeakPolarHBondContact CA-OD1 3.32Å
436	S	95.6	Very high	95.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-27.4	179.3	-54.5	0	0	0	0	115.3	D421 H423 Q438 A562 N564 R704 G705 G706	D421-S436 PolarHBondContact O-OG 3.17Å; D421-S436 WeakPolarHBondContact OD2-CA 3.45Å; D421-S436 PolarHBondContact OD2-N 3.39Å; H423-S436 PolarHBondContact NE2-O 2.93Å; S436-Q438 VanDerWaalsContact C-N 3.32Å; S436-A562 WeakPolarHBondContact O-CB 3.24Å; S436-N564 PolarHBondContact N-OD1 2.84Å; S436-R704 PolarHBondContact OG-O 3.36Å; S436-G705 VanDerWaalsContact OG-C 3.31Å; S436-G705 VanDerWaalsContact OG-CA 3.25Å; S436-G705 WeakPolarHBondContact OG-CA 3.21Å; S436-G706 PolarHBondContact OG-N 3.37Å
437	A	95.4	Very high	95.6	Very high	21 Å²	21	44.9 Å²	44.9	17%	0.174	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.9	176	0	0	0	0	0	114.3	N435 L439 N564	N435-A437 PolarHBondContact O-N 3.02Å; A437-L439 HydrophobicContact CB-CG 4.12Å; A437-L439 PolarHBondContact O-N 3.03Å; A437-N564 PolarHBondContact N-OD1 2.87Å
438	Q	95.9	Very high	95.8	Very high	39 Å²	39	41.3 Å²	41.3	18%	0.182	24%	0.244	C	C	.	.			trans	50.9	36.2	178.2	-63.6	-76.5	-65.4	0	0	114	H423 D428 N429 N435 S436 D440	H423-Q438 VanDerWaalsContact CD2-CG 3.43Å; H423-Q438 WeakPolarHBondContact CD2-CG 3.48Å; H423-Q438 WeakPolarHBondContact NE2-CG 2.94Å; D428-Q438 PolarHBondContact OD1-NE2 3.25Å; N429-Q438 PolarHBondContact ND2-O 3.06Å; N429-Q438 VanDerWaalsContact OD1-CD 3.31Å; N429-Q438 PolarHBondContact OD1-NE2 3.3Å; N429-Q438 PolarHBondContact OD1-OE1 3Å; N429-Q438 VanDerWaalsContact OD1-OE1 3.08Å; N435-Q438 PolarHBondContact ND2-NE2 3.49Å; N435-Q438 WeakPolarHBondContact O-CA 3.26Å; N435-Q438 PolarHBondContact O-N 3.07Å; N435-Q438 PolarHBondContact O-NE2 3.09Å; N435-Q438 VanDerWaalsContact O-NE2 3.17Å; N435-Q438 PolarHBondContact OD1-NE2 3.5Å; S436-Q438 VanDerWaalsContact C-N 3.32Å; Q438-D440 PolarHBondContact O-N 3.34Å
439	L	95.5	Very high	95.7	Very high	33 Å²	33	45.2 Å²	45.2	17%	0.173	26%	0.262	C	S	.	.			trans	-61.7	136.9	175.8	-60.6	177.9	0	0	0	110.6	N429 A437 G447 D448 N509	N429-L439 PolarHBondContact ND2-O 3.25Å; A437-L439 HydrophobicContact CB-CG 4.12Å; A437-L439 PolarHBondContact O-N 3.03Å; L439-G447 CarbonylContact O-C 3.58Å; L439-G447 WeakPolarHBondContact O-CA 3.32Å; L439-D448 HydrophobicContact CB-CB 4.32Å; L439-D448 PolarHBondContact O-N 3Å; L439-N509 HydrophobicContact CD1-CB 3.97Å; L439-N509 HydrophobicContact CD2-CB 4.32Å; L439-N509 VanDerWaalsContact CD2-CG 3.46Å; L439-N509 VanDerWaalsContact CD2-OD1 3.3Å; L439-N509 WeakPolarHBondContact CD2-OD1 3.4Å
440	D	96.3	Very high	95.6	Very high	40 Å²	40	46.1 Å²	46.1	21%	0.214	27%	0.269	C	S	.	.			trans	-149.3	81.2	179.5	175.3	2.1	0	0	0	106.4	Q438 D442 K443 D444 G445 D448	Q438-D440 PolarHBondContact O-N 3.34Å; D440-D442 PolarHBondContact O-N 2.05Å; D440-K443 VanDerWaalsContact CG-CA 3.5Å; D440-K443 WeakPolarHBondContact O-CG 3.3Å; D440-K443 PolarHBondContact O-N 3.33Å; D440-K443 WeakPolarHBondContact OD1-CA 3.48Å; D440-K443 PolarHBondContact OD1-N 3.18Å; D440-K443 WeakPolarHBondContact OD2-CA 3.41Å; D440-D444 PolarHBondContact OD1-N 2.79Å; D440-G445 VanDerWaalsContact OD2-CA 3.31Å; D440-G445 WeakPolarHBondContact OD2-CA 3.48Å; D440-G445 PolarHBondContact OD2-N 3Å; D440-D448 VanDerWaalsContact CA-OD1 3.25Å; D440-D448 WeakPolarHBondContact CA-OD1 3.01Å; D440-D448 PolarHBondContact N-OD1 3.31Å
441	T	95.4	Very high	95.6	Very high	53 Å²	53	47.1 Å²	47.1	33%	0.325	28%	0.275	S	S	.	.	S	Bend	trans	-64	-39.9	-166.6	-73.4	0	0	0	0	112.2	D448 D454 L472	T441-D448 PolarHBondContact N-OD1 3.38Å; T441-D448 PolarHBondContact OG1-OD2 2.83Å; T441-D454 VanDerWaalsContact CB-O 3.28Å; T441-D454 WeakPolarHBondContact CB-O 3.36Å; T441-L472 HydrophobicContact CG2-CB 4.12Å; T441-L472 HydrophobicContact CG2-CD2 4.21Å
442	D	94.8	Very high	95.6	Very high	40 Å²	40	49.3 Å²	49.3	21%	0.214	28%	0.283	C	S	.	.	S	Bend	trans	-92.6	-9.8	179.1	67.1	29.2	0	0	0	115.1	D440 D444 D454 N456	D440-D442 PolarHBondContact O-N 2.05Å; D442-D444 VanDerWaalsContact OD1-CB 3.27Å; D442-D444 WeakPolarHBondContact OD1-CB 3.47Å; D442-D444 PolarHBondContact OD1-N 3.23Å; D442-D454 WeakPolarHBondContact CB-O 3.33Å; D442-D454 PolarHBondContact N-O 2.83Å; D442-N456 HydrophobicContact CB-CB 4.01Å; D442-N456 VanDerWaalsContact CG-ND2 3.33Å; D442-N456 WeakPolarHBondContact OD2-CB 3.33Å; D442-N456 PolarHBondContact OD2-ND2 2.83Å
443	K	95.6	Very high	95.6	Very high	166 Å²	166	46.6 Å²	46.6	72%	0.722	26%	0.257	S	S	*	.			trans	67.2	34.3	176.6	-53.4	-175.5	-179.8	-169	0	113.5	D440 G445	D440-K443 VanDerWaalsContact CG-CA 3.5Å; D440-K443 WeakPolarHBondContact O-CG 3.3Å; D440-K443 PolarHBondContact O-N 3.33Å; D440-K443 WeakPolarHBondContact OD1-CA 3.48Å; D440-K443 PolarHBondContact OD1-N 3.18Å; D440-K443 WeakPolarHBondContact OD2-CA 3.41Å; K443-G445 VanDerWaalsContact C-N 3.35Å
444	D	95.6	Very high	95.7	Very high	81 Å²	81	44.2 Å²	44.2	43%	0.433	24%	0.242	S	C	.	.	S	Bend	trans	-84.8	-11.3	175.9	95.7	-1.9	0	0	0	113.7	D440 D442 L446 N456	D440-D444 PolarHBondContact OD1-N 2.79Å; D442-D444 VanDerWaalsContact OD1-CB 3.27Å; D442-D444 WeakPolarHBondContact OD1-CB 3.47Å; D442-D444 PolarHBondContact OD1-N 3.23Å; D444-L446 WeakPolarHBondContact OD1-CB 3.34Å; D444-L446 PolarHBondContact OD1-N 2.94Å; D444-N456 PolarHBondContact OD2-ND2 3.31Å
445	G	94.8	Very high	95.7	Very high	45 Å²	45	44.1 Å²	44.1	46%	0.464	24%	0.242	S	C	.	.	S	Bend	trans	95	3.5	178.5	0	0	0	0	0	114.7	D440 K443	D440-G445 VanDerWaalsContact OD2-CA 3.31Å; D440-G445 WeakPolarHBondContact OD2-CA 3.48Å; D440-G445 PolarHBondContact OD2-N 3Å; K443-G445 VanDerWaalsContact C-N 3.35Å
446	L	96.8	Very high	95.8	Very high	83 Å²	83	48.4 Å²	48.4	44%	0.435	26%	0.264	S	S	.	.	S	Bend	trans	-96.7	138.4	162.5	-62.2	173.8	0	0	0	108.7	D444 D451	D444-L446 WeakPolarHBondContact OD1-CB 3.34Å; D444-L446 PolarHBondContact OD1-N 2.94Å; L446-D451 HydrophobicContact CB-CB 4.47Å
447	G	96.7	Very high	95.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.			trans	-81.1	149	176.6	0	0	0	0	0	112.5	N429 C430 L439 E449 C450 D451	N429-G447 VanDerWaalsContact CG-CA 3.47Å; N429-G447 VanDerWaalsContact ND2-CA 3.26Å; N429-G447 WeakPolarHBondContact ND2-CA 3.36Å; N429-G447 PolarHBondContact O-N 3.47Å; C430-G447 WeakPolarHBondContact SG-CA 3.06Å; C430-G447 PolarHBondContact SG-N 3Å; C430-G447 PolarHBondContact SG-O 3.02Å; L439-G447 CarbonylContact O-C 3.58Å; L439-G447 WeakPolarHBondContact O-CA 3.32Å; G447-E449 PolarHBondContact O-N 2.8Å; G447-E449 VanDerWaalsContact O-N 3.07Å; G447-C450 CarbonylContact O-C 3.55Å; G447-C450 PolarHBondContact O-N 2.95Å; G447-C450 PolarHBondContact O-SG 3.17Å; G447-D451 PolarHBondContact O-N 3.22Å
448	D	95.9	Very high	95.8	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.091	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-38	-176.2	-64	9.3	0	0	0	112.6	L439 D440 T441 C450 D451 D454	L439-D448 HydrophobicContact CB-CB 4.32Å; L439-D448 PolarHBondContact O-N 3Å; D440-D448 VanDerWaalsContact CA-OD1 3.25Å; D440-D448 WeakPolarHBondContact CA-OD1 3.01Å; D440-D448 PolarHBondContact N-OD1 3.31Å; T441-D448 PolarHBondContact N-OD1 3.38Å; T441-D448 PolarHBondContact OG1-OD2 2.83Å; D448-C450 PolarHBondContact O-N 3.17Å; D448-D451 PolarHBondContact O-N 3.18Å; D448-D454 WeakPolarHBondContact CA-OD1 3.45Å
449	E	94.3	Very high	95.8	Very high	94 Å²	94	50.2 Å²	50.2	44%	0.439	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.9	-179.8	-66.8	-75.1	175.7	0	0	114.1	V433 N435 G447 N564	V433-E449 HydrophobicContact CG1-CB 3.98Å; N435-E449 HydrophobicContact CB-CB 3.86Å; N435-E449 HydrophobicContact CB-CG 3.64Å; G447-E449 PolarHBondContact O-N 2.8Å; G447-E449 VanDerWaalsContact O-N 3.07Å; E449-N564 PolarHBondContact OE1-ND2 2.82Å
450	C	95.3	Very high	95.9	Very high	43 Å²	43	50 Å²	50	29%	0.291	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-1	177.1	70.3	0	0	0	0	114.3	N429 C430 V433 G447 D448	N429-C450 PolarHBondContact O-SG 2.74Å; C430-C450 WeakPolarHBondContact CA-SG 3.04Å; C430-C450 HydrophobicContact CB-CB 3.74Å; C430-C450 WeakPolarHBondContact CB-SG 3.44Å; C430-C450 WeakPolarHBondContact SG-CB 3.44Å; C430-C450 PolarHBondContact SG-N 2.92Å; C430-C450 CovalentContact SG-SG 2.03Å; C430-C450 PolarHBondContact SG-SG 2.88Å; V433-C450 HydrophobicContact CB-CB 4.38Å; V433-C450 HydrophobicContact CG2-CB 4.19Å; G447-C450 CarbonylContact O-C 3.55Å; G447-C450 PolarHBondContact O-N 2.95Å; G447-C450 PolarHBondContact O-SG 3.17Å; D448-C450 PolarHBondContact O-N 3.17Å
451	D	96.4	Very high	95.8	Very high	25 Å²	25	48.9 Å²	48.9	13%	0.134	28%	0.278	C	S	.	.			trans	-79.1	167	164.6	-146.5	-32.1	0	0	0	110.6	L446 G447 D448 D453	L446-D451 HydrophobicContact CB-CB 4.47Å; G447-D451 PolarHBondContact O-N 3.22Å; D448-D451 PolarHBondContact O-N 3.18Å; D451-D453 PolarHBondContact OD1-N 3.47Å
452	N	95.4	Very high	95.6	Very high	102 Å²	102	53.5 Å²	53.5	55%	0.545	30%	0.3	S	S	.	.	S	Bend	trans	-125.7	5.8	173.5	-54.7	-106.7	0	0	0	111.6	P460 D461	N452-P460 CarbonylContact O-C 3.47Å; N452-P460 WeakPolarHBondContact O-CA 3.3Å; N452-P460 VanDerWaalsContact O-CB 3.26Å; N452-P460 WeakPolarHBondContact O-CB 3.48Å; N452-D461 VanDerWaalsContact CA-OD2 3.28Å; N452-D461 WeakPolarHBondContact CA-OD2 3.41Å; N452-D461 PolarHBondContact O-N 3.15Å
453	D	96.5	Very high	95.5	Very high	28 Å²	28	56.7 Å²	56.7	15%	0.15	32%	0.316	C	S	.	.			trans	-154.4	69.1	-176.5	-170.1	-2.1	0	0	0	108.3	D451 D455 N456 D457 G458 D461	D451-D453 PolarHBondContact OD1-N 3.47Å; D453-D455 PolarHBondContact O-N 2.74Å; D453-D455 VanDerWaalsContact O-N 3.07Å; D453-N456 PolarHBondContact O-N 2.97Å; D453-N456 WeakPolarHBondContact OD1-CA 3.42Å; D453-N456 PolarHBondContact OD1-N 2.77Å; D453-D457 PolarHBondContact OD1-N 3.17Å; D453-G458 PolarHBondContact OD1-N 2.69Å; D453-G458 VanDerWaalsContact OD2-CA 3.31Å; D453-G458 WeakPolarHBondContact OD2-CA 3.49Å; D453-G458 PolarHBondContact OD2-N 2.75Å; D453-D461 PolarHBondContact N-OD2 3.41Å
454	D	96.6	Very high	95.2	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.027	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.4	-167.2	-67.7	-14	0	0	0	114.4	T441 D442 D448 D461 R471 L472	T441-D454 VanDerWaalsContact CB-O 3.28Å; T441-D454 WeakPolarHBondContact CB-O 3.36Å; D442-D454 WeakPolarHBondContact CB-O 3.33Å; D442-D454 PolarHBondContact N-O 2.83Å; D448-D454 WeakPolarHBondContact CA-OD1 3.45Å; D454-D461 PolarHBondContact N-OD1 2.89Å; D454-D461 VanDerWaalsContact N-OD1 3.15Å; D454-R471 HydrophobicContact CB-CG 4.12Å; D454-R471 WeakPolarHBondContact OD2-CD 3.38Å; D454-R471 VanDerWaalsContact OD2-CG 3.24Å; D454-R471 WeakPolarHBondContact OD2-CG 3.24Å; D454-R471 IonicContact OD2-NE 3.1Å; D454-R471 PolarHBondContact OD2-NE 3.48Å; D454-L472 HydrophobicContact CB-CD2 4.27Å
455	D	95.9	Very high	94.9	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.048	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	3.5	-179.3	73.5	3.4	0	0	0	113.7	D453 D457 R471 I473 P474	D453-D455 PolarHBondContact O-N 2.74Å; D453-D455 VanDerWaalsContact O-N 3.07Å; D455-D457 PolarHBondContact O-N 3.5Å; D455-D457 VanDerWaalsContact OD1-CB 3.27Å; D455-D457 WeakPolarHBondContact OD1-CB 3.12Å; D455-D457 PolarHBondContact OD1-N 2.93Å; D455-D457 VanDerWaalsContact OD1-N 3.15Å; D455-R471 WeakPolarHBondContact CB-O 3.29Å; D455-I473 PolarHBondContact OD2-N 3.14Å; D455-I473 VanDerWaalsContact OD2-O 3.12Å; D455-P474 HydrophobicContact CB-CG 3.96Å; D455-P474 WeakPolarHBondContact O-CG 3.29Å; D455-P474 WeakPolarHBondContact OD2-CA 3.23Å
456	N	96.5	Very high	94.6	Very high	91 Å²	91	53.7 Å²	53.7	49%	0.487	31%	0.313	S	S	.	.			trans	52.8	33	178	-109.4	-47.5	0	0	0	113.9	D442 D444 D453	D442-N456 HydrophobicContact CB-CB 4.01Å; D442-N456 VanDerWaalsContact CG-ND2 3.33Å; D442-N456 WeakPolarHBondContact OD2-CB 3.33Å; D442-N456 PolarHBondContact OD2-ND2 2.83Å; D444-N456 PolarHBondContact OD2-ND2 3.31Å; D453-N456 PolarHBondContact O-N 2.97Å; D453-N456 WeakPolarHBondContact OD1-CA 3.42Å; D453-N456 PolarHBondContact OD1-N 2.77Å
457	D	96.3	Very high	94.5	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.123	32%	0.321	C	S	.	.	S	Bend	trans	-84.2	-14.2	-179.3	101.7	-8.4	0	0	0	113.3	D453 D455 I459 P474 N475 P476	D453-D457 PolarHBondContact OD1-N 3.17Å; D455-D457 PolarHBondContact O-N 3.5Å; D455-D457 VanDerWaalsContact OD1-CB 3.27Å; D455-D457 WeakPolarHBondContact OD1-CB 3.12Å; D455-D457 PolarHBondContact OD1-N 2.93Å; D455-D457 VanDerWaalsContact OD1-N 3.15Å; D457-I459 VanDerWaalsContact OD1-CB 3.24Å; D457-I459 WeakPolarHBondContact OD1-CB 3.46Å; D457-I459 WeakPolarHBondContact OD1-CG1 3.17Å; D457-I459 PolarHBondContact OD1-N 3.24Å; D457-P474 HydrophobicContact CB-CB 3.9Å; D457-N475 VanDerWaalsContact OD2-CA 3.31Å; D457-N475 WeakPolarHBondContact OD2-CA 3.49Å; D457-N475 PolarHBondContact OD2-N 2.97Å; D457-N475 PolarHBondContact OD2-OD1 3Å; D457-P476 HydrophobicContact CB-CG 3.92Å; D457-P476 VanDerWaalsContact OD2-CA 3.27Å; D457-P476 WeakPolarHBondContact OD2-CA 3.44Å; D457-P476 WeakPolarHBondContact OD2-CD 3.44Å
458	G	94.9	Very high	94.4	Very high	48 Å²	48	55 Å²	55	50%	0.495	33%	0.325	S	S	.	.	S	Bend	trans	97.5	5.3	179.6	0	0	0	0	0	115.2	D453	D453-G458 PolarHBondContact OD1-N 2.69Å; D453-G458 VanDerWaalsContact OD2-CA 3.31Å; D453-G458 WeakPolarHBondContact OD2-CA 3.49Å; D453-G458 PolarHBondContact OD2-N 2.75Å
459	I	96.6	Very high	94.4	Very high	28 Å²	28	55 Å²	55	14%	0.144	33%	0.326	C	S	.	.	S	Bend	trans	-107.8	115.3	172.2	-56.9	-60.3	0	0	0	109	D457 P465 D468 Q478	D457-I459 VanDerWaalsContact OD1-CB 3.24Å; D457-I459 WeakPolarHBondContact OD1-CB 3.46Å; D457-I459 WeakPolarHBondContact OD1-CG1 3.17Å; D457-I459 PolarHBondContact OD1-N 3.24Å; I459-P465 HydrophobicContact CD1-CG 4.47Å; I459-D468 WeakPolarHBondContact CB-OD2 3.4Å; I459-D468 HydrophobicContact CG2-CB 4.13Å; I459-Q478 HydrophobicContact CG1-CG 4.09Å; I459-Q478 HydrophobicContact CG2-CG 4.37Å
460	P	96.4	Very high	94.4	Very high	30 Å²	30	50.6 Å²	50.6	20%	0.195	31%	0.305	C	S	.	.			trans	-69.5	144.2	-178.3	-19.5	31.3	0	0	0	113.5	N452 L462 G466 D468	N452-P460 CarbonylContact O-C 3.47Å; N452-P460 WeakPolarHBondContact O-CA 3.3Å; N452-P460 VanDerWaalsContact O-CB 3.26Å; N452-P460 WeakPolarHBondContact O-CB 3.48Å; P460-L462 PolarHBondContact O-N 2.87Å; P460-G466 WeakPolarHBondContact O-CA 3.27Å; P460-D468 PolarHBondContact O-N 2.81Å
461	D	94.3	Very high	94.4	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.08	30%	0.303	C	S	.	.	S	Bend	trans	-58.7	-45.5	-170.4	-36.6	-50.3	0	0	0	112.8	N452 D453 D454 P467 D468 R471	N452-D461 VanDerWaalsContact CA-OD2 3.28Å; N452-D461 WeakPolarHBondContact CA-OD2 3.41Å; N452-D461 PolarHBondContact O-N 3.15Å; D453-D461 PolarHBondContact N-OD2 3.41Å; D454-D461 PolarHBondContact N-OD1 2.89Å; D454-D461 VanDerWaalsContact N-OD1 3.15Å; D461-P467 WeakPolarHBondContact O-CA 3.33Å; D461-P467 WeakPolarHBondContact O-CB 3.49Å; D461-D468 PolarHBondContact O-N 3.11Å; D461-D468 VanDerWaalsContact O-N 3.1Å; D461-R471 HydrophobicContact CB-CG 3.97Å
462	L	92.8	Very high	94.4	Very high	150 Å²	150	51 Å²	51	79%	0.785	30%	0.299	S	S	*	.	S	Bend	trans	-115.1	-26.9	-173	-64.3	178.3	0	0	0	113.8	P460	P460-L462 PolarHBondContact O-N 2.87Å
463	L	92	Very high	94.4	Very high	107 Å²	107	46.9 Å²	46.9	56%	0.56	28%	0.277	S	S	*	.	S	Bend	trans	-105.2	148.1	-168.4	-66.1	-179.7	0	0	0	112.5	G466	L463-G466 WeakPolarHBondContact O-CA 3.22Å; L463-G466 PolarHBondContact O-N 2.77Å
464	P	89.4	Confident	94.4	Very high	112 Å²	112	49.4 Å²	49.4	73%	0.727	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	133.9	176.4	-25.3	34.6	0	0	0	112.4
465	P	89.4	Confident	94.3	Very high	103 Å²	103	49.6 Å²	49.6	67%	0.669	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	cis	-77.8	-4.8	19.7	32	-37.9	0	0	0	117.7	I459	I459-P465 HydrophobicContact CD1-CG 4.47Å
466	G	88.4	Confident	94.3	Very high	15 Å²	15	53 Å²	53	16%	0.155	32%	0.318	C	S	.	.			trans	-69.3	-162.5	169.2	0	0	0	0	0	114.3	P460 L463	P460-G466 WeakPolarHBondContact O-CA 3.27Å; L463-G466 WeakPolarHBondContact O-CA 3.22Å; L463-G466 PolarHBondContact O-N 2.77Å
467	P	93.9	Very high	94.2	Very high	92 Å²	92	55.3 Å²	55.3	60%	0.597	33%	0.33	S	S	*	.			cis	-69.7	151.6	11.7	29.7	-36.8	0	0	0	113.5	D461	D461-P467 WeakPolarHBondContact O-CA 3.33Å; D461-P467 WeakPolarHBondContact O-CB 3.49Å
468	D	96.4	Very high	94.2	Very high	17 Å²	17	56.5 Å²	56.5	9%	0.091	34%	0.335	C	S	.	.			trans	-71	130	172.6	-156.1	-49.7	0	0	0	110.5	I459 P460 D461 C470 N475 Q478	I459-D468 WeakPolarHBondContact CB-OD2 3.4Å; I459-D468 HydrophobicContact CG2-CB 4.13Å; P460-D468 PolarHBondContact O-N 2.81Å; D461-D468 PolarHBondContact O-N 3.11Å; D461-D468 VanDerWaalsContact O-N 3.1Å; D468-C470 VanDerWaalsContact OD1-C 3.26Å; D468-C470 WeakPolarHBondContact OD1-CA 3.31Å; D468-C470 PolarHBondContact OD1-N 3.35Å; D468-N475 PolarHBondContact OD1-OD1 3.47Å; D468-Q478 PolarHBondContact OD1-NE2 3.2Å; D468-Q478 PolarHBondContact OD2-NE2 3.2Å
469	N	94.6	Very high	94.3	Very high	19 Å²	19	60 Å²	60	10%	0.102	34%	0.339	C	S	.	.	S	Bend	trans	-86.8	-8.8	176.4	71.1	-4.6	0	0	0	114.3	N475 Q478 G485 G487 C490	N469-N475 PolarHBondContact OD1-ND2 2.88Å; N469-Q478 PolarHBondContact OD1-OE1 3.15Å; N469-Q478 VanDerWaalsContact OD1-OE1 3.1Å; N469-G485 WeakPolarHBondContact CB-O 3.48Å; N469-G487 VanDerWaalsContact CG-CA 3.47Å; N469-G487 VanDerWaalsContact ND2-CA 3.34Å; N469-G487 WeakPolarHBondContact ND2-CA 3.39Å; N469-G487 PolarHBondContact O-N 2.71Å; N469-C490 PolarHBondContact O-SG 2.75Å
470	C	95.5	Very high	94.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-137.2	68.3	168.1	-68.2	0	0	0	0	111.3	D468 L472 I473 N475 G487 C490	D468-C470 VanDerWaalsContact OD1-C 3.26Å; D468-C470 WeakPolarHBondContact OD1-CA 3.31Å; D468-C470 PolarHBondContact OD1-N 3.35Å; C470-L472 PolarHBondContact O-N 3.48Å; C470-I473 HydrophobicContact CB-CB 4.3Å; C470-I473 PolarHBondContact O-N 2.82Å; C470-N475 WeakPolarHBondContact CB-ND2 3.3Å; C470-G487 WeakPolarHBondContact SG-CA 3.43Å; C470-C490 WeakPolarHBondContact CA-SG 3.35Å; C470-C490 HydrophobicContact CB-CB 3.73Å; C470-C490 WeakPolarHBondContact CB-SG 3.3Å; C470-C490 WeakPolarHBondContact SG-CB 3.08Å; C470-C490 PolarHBondContact SG-N 3.02Å; C470-C490 VanDerWaalsContact SG-N 3.39Å; C470-C490 CovalentContact SG-SG 2.04Å; C470-C490 PolarHBondContact SG-SG 2.84Å
471	R	95.3	Very high	94.1	Very high	64 Å²	64	64.5 Å²	64.5	24%	0.242	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-35.8	-176	-166.7	179.2	80.3	-129	-1.3	116.1	D454 D455 D461 F494 E508	D454-R471 HydrophobicContact CB-CG 4.12Å; D454-R471 WeakPolarHBondContact OD2-CD 3.38Å; D454-R471 VanDerWaalsContact OD2-CG 3.24Å; D454-R471 WeakPolarHBondContact OD2-CG 3.24Å; D454-R471 IonicContact OD2-NE 3.1Å; D454-R471 PolarHBondContact OD2-NE 3.48Å; D455-R471 WeakPolarHBondContact CB-O 3.29Å; D461-R471 HydrophobicContact CB-CG 3.97Å; R471-F494 HydrophobicContact CB-CE1 4.39Å; R471-F494 HydrophobicContact CB-CZ 3.94Å; R471-E508 IonicContact CZ-OE2 2.88Å; R471-E508 VanDerWaalsContact CZ-OE2 3.31Å; R471-E508 IonicContact NH1-OE2 3.17Å; R471-E508 PolarHBondContact NH1-OE2 2.99Å; R471-E508 IonicContact NH2-OE2 3.82Å; R471-E508 PolarHBondContact NH2-OE2 3.36Å
472	L	95.4	Very high	94	Very high	12 Å²	12	68.5 Å²	68.5	6%	0.063	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-0.3	-173.1	-51	178.8	0	0	0	113.6	T441 D454 C470 F494 D495 E508	T441-L472 HydrophobicContact CG2-CB 4.12Å; T441-L472 HydrophobicContact CG2-CD2 4.21Å; D454-L472 HydrophobicContact CB-CD2 4.27Å; C470-L472 PolarHBondContact O-N 3.48Å; L472-F494 HydrophobicContact CD1-CD1 3.79Å; L472-F494 HydrophobicContact CD1-CE1 3.79Å; L472-F494 HydrophobicContact CG-CD1 4.25Å; L472-F494 HydrophobicContact CG-CE1 3.86Å; L472-D495 HydrophobicContact CD1-CB 3.63Å; L472-E508 HydrophobicContact CD1-CB 4.25Å
473	I	95.6	Very high	93.8	Very high	17 Å²	17	64.1 Å²	64.1	9%	0.087	38%	0.381	C	S	.	.	S	Bend	trans	-132.8	112.7	-174.6	-51.6	-178.3	0	0	0	110.5	D455 C470 N475 L489 C490 N496	D455-I473 PolarHBondContact OD2-N 3.14Å; D455-I473 VanDerWaalsContact OD2-O 3.12Å; C470-I473 HydrophobicContact CB-CB 4.3Å; C470-I473 PolarHBondContact O-N 2.82Å; I473-N475 PolarHBondContact O-N 3.04Å; I473-N475 PolarHBondContact O-OD1 3.18Å; I473-L489 HydrophobicContact CG2-CB 4.5Å; I473-C490 HydrophobicContact CD1-CB 3.7Å; I473-C490 HydrophobicContact CG1-CB 4.4Å; I473-N496 HydrophobicContact CD1-CB 3.64Å; I473-N496 HydrophobicContact CG1-CB 3.92Å
474	P	96.1	Very high	93.6	Very high	80 Å²	80	63.1 Å²	63.1	52%	0.519	38%	0.377	S	S	.	.			trans	-54.8	112.8	-173.7	-26.8	32.3	0	0	0	113.3	D455 D457	D455-P474 HydrophobicContact CB-CG 3.96Å; D455-P474 WeakPolarHBondContact O-CG 3.29Å; D455-P474 WeakPolarHBondContact OD2-CA 3.23Å; D457-P474 HydrophobicContact CB-CB 3.9Å
475	N	95.6	Very high	93.6	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.048	37%	0.366	C	S	.	.			trans	-142.9	68.3	-177.9	72.7	-25.3	0	0	0	114.2	D457 D468 N469 C470 I473 L477 Q478 L489	D457-N475 VanDerWaalsContact OD2-CA 3.31Å; D457-N475 WeakPolarHBondContact OD2-CA 3.49Å; D457-N475 PolarHBondContact OD2-N 2.97Å; D457-N475 PolarHBondContact OD2-OD1 3Å; D468-N475 PolarHBondContact OD1-OD1 3.47Å; N469-N475 PolarHBondContact OD1-ND2 2.88Å; C470-N475 WeakPolarHBondContact CB-ND2 3.3Å; I473-N475 PolarHBondContact O-N 3.04Å; I473-N475 PolarHBondContact O-OD1 3.18Å; N475-L477 PolarHBondContact O-N 2.92Å; N475-Q478 PolarHBondContact O-N 2.86Å; N475-Q478 PolarHBondContact O-NE2 2.92Å; N475-Q478 PolarHBondContact OD1-NE2 3.38Å; N475-L489 HydrophobicContact CB-CD1 3.5Å
476	P	95.4	Very high	93.7	Very high	80 Å²	80	57.5 Å²	57.5	52%	0.519	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-7.3	-168.4	-26	32.8	0	0	0	116.7	D457	D457-P476 HydrophobicContact CB-CG 3.92Å; D457-P476 VanDerWaalsContact OD2-CA 3.27Å; D457-P476 WeakPolarHBondContact OD2-CA 3.44Å; D457-P476 WeakPolarHBondContact OD2-CD 3.44Å
477	L	94.7	Very high	94	Very high	141 Å²	141	56.8 Å²	56.8	74%	0.738	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-12.1	177.7	-62	-178.4	0	0	0	113.6	N475 E479	N475-L477 PolarHBondContact O-N 2.92Å; L477-E479 VanDerWaalsContact C-N 3.29Å; L477-E479 HydrophobicContact CB-CG 4.22Å; L477-E479 PolarHBondContact O-N 3.28Å
478	Q	95.5	Very high	94	Very high	47 Å²	47	55.1 Å²	55.1	22%	0.22	33%	0.327	C	S	.	.			trans	51.4	47.4	174.7	-59.1	-77.2	-57.9	0	0	111.6	I459 D468 N469 N475 D480	I459-Q478 HydrophobicContact CG1-CG 4.09Å; I459-Q478 HydrophobicContact CG2-CG 4.37Å; D468-Q478 PolarHBondContact OD1-NE2 3.2Å; D468-Q478 PolarHBondContact OD2-NE2 3.2Å; N469-Q478 PolarHBondContact OD1-OE1 3.15Å; N469-Q478 VanDerWaalsContact OD1-OE1 3.1Å; N475-Q478 PolarHBondContact O-N 2.86Å; N475-Q478 PolarHBondContact O-NE2 2.92Å; N475-Q478 PolarHBondContact OD1-NE2 3.38Å; Q478-D480 PolarHBondContact O-N 3.37Å
479	E	96.2	Very high	93.9	Very high	123 Å²	123	59.8 Å²	59.8	58%	0.575	35%	0.351	S	S	*	.			trans	-72.4	115.1	-179.4	-69.1	-169.9	179.8	0	0	110.4	L477 N488	L477-E479 VanDerWaalsContact C-N 3.29Å; L477-E479 HydrophobicContact CB-CG 4.22Å; L477-E479 PolarHBondContact O-N 3.28Å; E479-N488 WeakPolarHBondContact O-CB 3.36Å; E479-N488 VanDerWaalsContact O-CG 3.29Å; E479-N488 PolarHBondContact O-N 3.34Å
480	D	95.1	Very high	93.8	Very high	50 Å²	50	58.9 Å²	58.9	27%	0.267	35%	0.346	S	S	.	.			trans	-132.5	110.6	173.9	167.6	5.2	0	0	0	107.8	Q478 D482 G483 G485	Q478-D480 PolarHBondContact O-N 3.37Å; D480-D482 PolarHBondContact OD1-N 3.48Å; D480-G483 VanDerWaalsContact OD1-CA 3.27Å; D480-G483 WeakPolarHBondContact OD1-CA 3.39Å; D480-G483 PolarHBondContact OD1-N 2.9Å; D480-G483 VanDerWaalsContact OD2-CA 3.23Å; D480-G483 WeakPolarHBondContact OD2-CA 3.45Å; D480-G485 PolarHBondContact OD2-N 2.87Å
481	S	94.6	Very high	93.5	Very high	102 Å²	102	62.8 Å²	62.8	71%	0.713	37%	0.365	S	S	*	.	S	Bend	trans	-89.5	-25	-170.7	-69.4	0	0	0	0	114.8	N488	S481-N488 WeakPolarHBondContact CB-OD1 3.31Å; S481-N488 PolarHBondContact N-OD1 3.45Å; S481-N488 PolarHBondContact OG-ND2 2.95Å; S481-N488 PolarHBondContact OG-OD1 2.99Å
482	D	91.5	Very high	93.2	Very high	99 Å²	99	64.5 Å²	64.5	53%	0.529	38%	0.378	S	S	.	.	S	Bend	trans	-105.8	-12.1	-179.6	72.7	-14.8	0	0	0	113.2	D480	D480-D482 PolarHBondContact OD1-N 3.48Å
483	G	89.7	Confident	93	Very high	57 Å²	57	65.4 Å²	65.4	59%	0.588	38%	0.383	S	S	*	.			trans	78.6	27.2	169.1	0	0	0	0	0	113.1	D480 G485	D480-G483 VanDerWaalsContact OD1-CA 3.27Å; D480-G483 WeakPolarHBondContact OD1-CA 3.39Å; D480-G483 PolarHBondContact OD1-N 2.9Å; D480-G483 VanDerWaalsContact OD2-CA 3.23Å; D480-G483 WeakPolarHBondContact OD2-CA 3.45Å; G483-G485 VanDerWaalsContact C-N 3.32Å
484	D	87.4	Confident	92.9	Very high	87 Å²	87	65.8 Å²	65.8	47%	0.465	38%	0.384	S	S	.	.	S	Bend	trans	-83.3	-10.5	-178.4	80.5	-11	0	0	0	113.4	V486	D484-V486 PolarHBondContact OD1-N 3.42Å
485	G	89.3	Confident	92.8	Very high	49 Å²	49	62.4 Å²	62.4	51%	0.505	36%	0.362	S	S	.	.	S	Bend	trans	96.1	-2.4	179.4	0	0	0	0	0	114.4	N469 D480 G483	N469-G485 WeakPolarHBondContact CB-O 3.48Å; D480-G485 PolarHBondContact OD2-N 2.87Å; G483-G485 VanDerWaalsContact C-N 3.32Å
486	V	91.6	Very high	92.7	Very high	48 Å²	48	67.1 Å²	67.1	29%	0.291	39%	0.387	S	S	.	.	S	Bend	trans	-103.2	135.9	169.6	-176.4	0	0	0	0	108.2	D484	D484-V486 PolarHBondContact OD1-N 3.42Å
487	G	93.9	Very high	92.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.367	C	S	.	.			trans	-72.8	151.1	-178.7	0	0	0	0	0	112.3	N469 C470 L489 C490 E491	N469-G487 VanDerWaalsContact CG-CA 3.47Å; N469-G487 VanDerWaalsContact ND2-CA 3.34Å; N469-G487 WeakPolarHBondContact ND2-CA 3.39Å; N469-G487 PolarHBondContact O-N 2.71Å; C470-G487 WeakPolarHBondContact SG-CA 3.43Å; G487-L489 PolarHBondContact O-N 3.34Å; G487-C490 PolarHBondContact O-N 3.07Å; G487-C490 VanDerWaalsContact O-N 3.11Å; G487-C490 PolarHBondContact O-SG 2.7Å; G487-C490 VanDerWaalsContact O-SG 3.36Å; G487-E491 PolarHBondContact O-N 3.44Å
488	N	93.7	Very high	92.5	Very high	56 Å²	56	63.2 Å²	63.2	30%	0.299	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25	179.7	-72.1	-12	0	0	0	113.9	E479 S481	E479-N488 WeakPolarHBondContact O-CB 3.36Å; E479-N488 VanDerWaalsContact O-CG 3.29Å; E479-N488 PolarHBondContact O-N 3.34Å; S481-N488 WeakPolarHBondContact CB-OD1 3.31Å; S481-N488 PolarHBondContact N-OD1 3.45Å; S481-N488 PolarHBondContact OG-ND2 2.95Å; S481-N488 PolarHBondContact OG-OD1 2.99Å
489	L	94.1	Very high	92.5	Very high	115 Å²	115	63 Å²	63	60%	0.602	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-29.2	-176.8	-78.2	169	0	0	0	113	I473 N475 G487	I473-L489 HydrophobicContact CG2-CB 4.5Å; N475-L489 HydrophobicContact CB-CD1 3.5Å; G487-L489 PolarHBondContact O-N 3.34Å
490	C	92.9	Very high	92.2	Very high	0 Å²	0	61 Å²	61	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	-115.1	16	-173.2	57	0	0	0	0	112.7	N469 C470 I473 G487 N492 D493 F494	N469-C490 PolarHBondContact O-SG 2.75Å; C470-C490 WeakPolarHBondContact CA-SG 3.35Å; C470-C490 HydrophobicContact CB-CB 3.73Å; C470-C490 WeakPolarHBondContact CB-SG 3.3Å; C470-C490 WeakPolarHBondContact SG-CB 3.08Å; C470-C490 PolarHBondContact SG-N 3.02Å; C470-C490 VanDerWaalsContact SG-N 3.39Å; C470-C490 CovalentContact SG-SG 2.04Å; C470-C490 PolarHBondContact SG-SG 2.84Å; I473-C490 HydrophobicContact CD1-CB 3.7Å; I473-C490 HydrophobicContact CG1-CB 4.4Å; G487-C490 PolarHBondContact O-N 3.07Å; G487-C490 VanDerWaalsContact O-N 3.11Å; G487-C490 PolarHBondContact O-SG 2.7Å; G487-C490 VanDerWaalsContact O-SG 3.36Å; C490-N492 VanDerWaalsContact C-N 3.3Å; C490-N492 PolarHBondContact O-N 3.05Å; C490-D493 WeakPolarHBondContact CA-O 3.29Å; C490-F494 HydrophobicContact CB-CD2 4.2Å
491	E	90.1	Very high	91.9	Very high	83 Å²	83	60.3 Å²	60.3	39%	0.388	36%	0.356	S	S	.	.	S	Bend	trans	-66.2	-23.9	-167.1	-165.9	-179.1	160.9	0	0	114.9	G487	G487-E491 PolarHBondContact O-N 3.44Å
492	N	87.8	Confident	91.4	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	34%	0.342	S	S	.	.	S	Bend	trans	-129.5	-3	-178.3	-60	-87.3	0	0	0	114	C490 I500 D501	C490-N492 VanDerWaalsContact C-N 3.3Å; C490-N492 PolarHBondContact O-N 3.05Å; N492-I500 VanDerWaalsContact O-CA 3.25Å; N492-I500 WeakPolarHBondContact O-CA 3.25Å; N492-D501 PolarHBondContact O-N 2.78Å; N492-D501 VanDerWaalsContact O-N 3.12Å
493	D	93	Very high	91.3	Very high	31 Å²	31	58.6 Å²	58.6	17%	0.166	34%	0.343	C	S	.	.			trans	-157.5	90.8	-172.3	176.1	-6.7	0	0	0	104.5	C490 N496 D497 T498 D501	C490-D493 WeakPolarHBondContact CA-O 3.29Å; D493-N496 WeakPolarHBondContact OD1-CA 3.02Å; D493-N496 PolarHBondContact OD1-N 3.02Å; D493-D497 PolarHBondContact OD1-N 3.49Å; D493-T498 VanDerWaalsContact OD2-CA 3.26Å; D493-T498 WeakPolarHBondContact OD2-CA 3.46Å; D493-T498 PolarHBondContact OD2-N 3.37Å; D493-T498 VanDerWaalsContact OD2-N 3.07Å; D493-D501 VanDerWaalsContact CA-OD1 3.27Å; D493-D501 WeakPolarHBondContact CA-OD1 3.45Å; D493-D501 PolarHBondContact N-OD1 2.64Å
494	F	93.4	Very high	91.4	Very high	25 Å²	25	56.1 Å²	56.1	11%	0.11	32%	0.316	C	S	.	.	S	Bend	trans	-78.4	-28.8	-166	-178	-90.1	0	0	0	113.3	R471 L472 C490 D501 P507 E508	R471-F494 HydrophobicContact CB-CE1 4.39Å; R471-F494 HydrophobicContact CB-CZ 3.94Å; L472-F494 HydrophobicContact CD1-CD1 3.79Å; L472-F494 HydrophobicContact CD1-CE1 3.79Å; L472-F494 HydrophobicContact CG-CD1 4.25Å; L472-F494 HydrophobicContact CG-CE1 3.86Å; C490-F494 HydrophobicContact CB-CD2 4.2Å; F494-D501 PolarHBondContact N-OD1 2.97Å; F494-P507 WeakPolarHBondContact CB-O 3.13Å; F494-P507 WeakPolarHBondContact CD1-O 3.29Å; F494-E508 HydrophobicContact CD1-CB 4.45Å; F494-E508 HydrophobicContact CD1-CG 3.77Å; F494-E508 HydrophobicContact CE1-CG 3.89Å
495	D	93.4	Very high	91.7	Very high	9 Å²	9	53 Å²	53	5%	0.048	30%	0.3	C	S	.	.	S	Bend	trans	-105.4	1.1	178.9	60.4	16.8	0	0	0	114	L472 D497 C506 E508 N509 A510	L472-D495 HydrophobicContact CD1-CB 3.63Å; D495-D497 VanDerWaalsContact C-N 3.34Å; D495-D497 PolarHBondContact O-N 2.89Å; D495-D497 WeakPolarHBondContact OD1-CB 3.44Å; D495-D497 VanDerWaalsContact OD1-CG 3.25Å; D495-D497 PolarHBondContact OD1-N 2.76Å; D495-C506 VanDerWaalsContact OD2-O 3.1Å; D495-E508 PolarHBondContact OD2-N 2.96Å; D495-N509 WeakPolarHBondContact OD2-CA 3.3Å; D495-N509 PolarHBondContact OD2-N 2.84Å; D495-A510 HydrophobicContact CB-CB 4.06Å; D495-A510 WeakPolarHBondContact O-CB 3.43Å; D495-A510 PolarHBondContact OD2-N 3.33Å
496	N	93.7	Very high	92	Very high	108 Å²	108	50.6 Å²	50.6	58%	0.578	28%	0.275	S	S	*	.			trans	63.4	35.2	174	-168.7	42.6	0	0	0	113.7	I473 D493 T498	I473-N496 HydrophobicContact CD1-CB 3.64Å; I473-N496 HydrophobicContact CG1-CB 3.92Å; D493-N496 WeakPolarHBondContact OD1-CA 3.02Å; D493-N496 PolarHBondContact OD1-N 3.02Å; N496-T498 VanDerWaalsContact C-N 3.33Å
497	D	93.3	Very high	92.1	Very high	19 Å²	19	48.7 Å²	48.7	10%	0.102	26%	0.264	C	S	.	.	S	Bend	trans	-89.9	2	179.8	83.1	-3.5	0	0	0	113.7	D493 D495 I499 A510 T513	D493-D497 PolarHBondContact OD1-N 3.49Å; D495-D497 VanDerWaalsContact C-N 3.34Å; D495-D497 PolarHBondContact O-N 2.89Å; D495-D497 WeakPolarHBondContact OD1-CB 3.44Å; D495-D497 VanDerWaalsContact OD1-CG 3.25Å; D495-D497 PolarHBondContact OD1-N 2.76Å; D497-I499 VanDerWaalsContact C-N 3.3Å; D497-I499 WeakPolarHBondContact OD1-CA 3.43Å; D497-I499 VanDerWaalsContact OD1-CB 3.24Å; D497-I499 WeakPolarHBondContact OD1-CB 3.37Å; D497-I499 PolarHBondContact OD1-N 3.14Å; D497-A510 HydrophobicContact CB-CB 3.98Å; D497-T513 HydrophobicContact CB-CG2 4.29Å; D497-T513 WeakPolarHBondContact OD2-CG2 3.41Å
498	T	93.1	Very high	92	Very high	120 Å²	120	51.3 Å²	51.3	74%	0.736	28%	0.276	S	S	*	.	S	Bend	trans	79.7	-5.1	-177.3	77.2	0	0	0	0	116.1	D493 N496	D493-T498 VanDerWaalsContact OD2-CA 3.26Å; D493-T498 WeakPolarHBondContact OD2-CA 3.46Å; D493-T498 PolarHBondContact OD2-N 3.37Å; D493-T498 VanDerWaalsContact OD2-N 3.07Å; N496-T498 VanDerWaalsContact C-N 3.33Å
499	I	93.8	Very high	92	Very high	42 Å²	42	49.1 Å²	49.1	22%	0.215	27%	0.265	C	S	.	.	S	Bend	trans	-98.3	138.3	176.8	-53.5	-56	0	0	0	108.5	D497 I503 D504 T513	D497-I499 VanDerWaalsContact C-N 3.3Å; D497-I499 WeakPolarHBondContact OD1-CA 3.43Å; D497-I499 VanDerWaalsContact OD1-CB 3.24Å; D497-I499 WeakPolarHBondContact OD1-CB 3.37Å; D497-I499 PolarHBondContact OD1-N 3.14Å; I499-I503 HydrophobicContact CG2-CD1 4.03Å; I499-I503 HydrophobicContact CG2-CG1 3.55Å; I499-D504 HydrophobicContact CB-CB 4.41Å; I499-D504 HydrophobicContact CG2-CB 3.88Å; I499-T513 HydrophobicContact CG1-CG2 3.66Å
500	I	91.2	Very high	91.9	Very high	81 Å²	81	46.2 Å²	46.2	42%	0.415	26%	0.257	S	S	.	.			trans	-79.1	141.9	-177.1	60.4	175.8	0	0	0	110.5	N492 S502 I503 D504	N492-I500 VanDerWaalsContact O-CA 3.25Å; N492-I500 WeakPolarHBondContact O-CA 3.25Å; I500-S502 VanDerWaalsContact CD1-OG 3.29Å; I500-S502 WeakPolarHBondContact CD1-OG 3.18Å; I500-S502 PolarHBondContact O-N 3.15Å; I500-I503 HydrophobicContact CD1-CD1 4.32Å; I500-I503 HydrophobicContact CD1-CG1 4.5Å; I500-I503 HydrophobicContact CD1-CG2 4.45Å; I500-I503 HydrophobicContact CG1-CB 4.48Å; I500-I503 HydrophobicContact CG1-CD1 3.76Å; I500-I503 HydrophobicContact CG1-CG1 3.65Å; I500-I503 HydrophobicContact CG1-CG2 4.37Å; I500-I503 PolarHBondContact O-N 3.21Å; I500-D504 WeakPolarHBondContact O-CB 3.34Å; I500-D504 PolarHBondContact O-N 3.12Å
501	D	88.1	Confident	91.9	Very high	37 Å²	37	53.6 Å²	53.6	20%	0.198	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-30.8	-176.5	-59.3	-7.4	0	0	0	114.5	N492 D493 F494 I503 P507	N492-D501 PolarHBondContact O-N 2.78Å; N492-D501 VanDerWaalsContact O-N 3.12Å; D493-D501 VanDerWaalsContact CA-OD1 3.27Å; D493-D501 WeakPolarHBondContact CA-OD1 3.45Å; D493-D501 PolarHBondContact N-OD1 2.64Å; F494-D501 PolarHBondContact N-OD1 2.97Å; D501-I503 VanDerWaalsContact C-N 3.35Å; D501-P507 HydrophobicContact CB-CB 4.15Å; D501-P507 HydrophobicContact CB-CG 4.35Å
502	S	85.1	Confident	92	Very high	61 Å²	61	50 Å²	50	43%	0.427	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.9	-178	61.4	0	0	0	0	114.4	I500	I500-S502 VanDerWaalsContact CD1-OG 3.29Å; I500-S502 WeakPolarHBondContact CD1-OG 3.18Å; I500-S502 PolarHBondContact O-N 3.15Å
503	I	87.8	Confident	92.3	Very high	104 Å²	104	47.7 Å²	47.7	53%	0.533	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-13.1	178.2	71.9	-174.9	0	0	0	112	I499 I500 D501	I499-I503 HydrophobicContact CG2-CD1 4.03Å; I499-I503 HydrophobicContact CG2-CG1 3.55Å; I500-I503 HydrophobicContact CD1-CD1 4.32Å; I500-I503 HydrophobicContact CD1-CG1 4.5Å; I500-I503 HydrophobicContact CD1-CG2 4.45Å; I500-I503 HydrophobicContact CG1-CB 4.48Å; I500-I503 HydrophobicContact CG1-CD1 3.76Å; I500-I503 HydrophobicContact CG1-CG1 3.65Å; I500-I503 HydrophobicContact CG1-CG2 4.37Å; I500-I503 PolarHBondContact O-N 3.21Å; D501-I503 VanDerWaalsContact C-N 3.35Å
504	D	92.9	Very high	92.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.027	28%	0.28	C	S	.	.			trans	-70.6	132.3	173.7	-173.1	2.8	0	0	0	111.1	I499 I500 C506 P507 T513	I499-D504 HydrophobicContact CB-CB 4.41Å; I499-D504 HydrophobicContact CG2-CB 3.88Å; I500-D504 WeakPolarHBondContact O-CB 3.34Å; I500-D504 PolarHBondContact O-N 3.12Å; D504-C506 PolarHBondContact OD1-N 2.87Å; D504-C506 VanDerWaalsContact OD2-C 3.31Å; D504-P507 HydrophobicContact CB-CG 4.19Å; D504-P507 WeakPolarHBondContact OD2-CA 3.06Å; D504-T513 VanDerWaalsContact OD1-O 3.11Å
505	V	93.8	Very high	92.5	Very high	20 Å²	20	49.9 Å²	49.9	12%	0.121	28%	0.278	C	S	.	.	S	Bend	trans	-74.5	-30	178.3	161.7	0	0	0	0	111.4	T513 Y725 R726 C727	V505-T513 PolarHBondContact N-O 3.19Å; V505-Y725 HydrophobicContact CG1-CD2 3.36Å; V505-Y725 HydrophobicContact CG1-CE2 3.54Å; V505-Y725 WeakPolarHBondContact CG1-O 3.39Å; V505-R726 WeakPolarHBondContact O-CA 3.49Å; V505-R726 WeakPolarHBondContact O-CG 3.31Å; V505-C727 PolarHBondContact O-N 3.44Å
506	C	94.8	Very high	92.6	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.			trans	-139.1	77	177.3	-64.8	0	0	0	0	112	D495 D504 E508 N509 V512 C727	D495-C506 VanDerWaalsContact OD2-O 3.1Å; D504-C506 PolarHBondContact OD1-N 2.87Å; D504-C506 VanDerWaalsContact OD2-C 3.31Å; C506-E508 PolarHBondContact O-N 2.85Å; C506-N509 HydrophobicContact CB-CB 3.92Å; C506-N509 PolarHBondContact O-N 3.36Å; C506-V512 HydrophobicContact CB-CB 4.04Å; C506-V512 HydrophobicContact CB-CG1 4.24Å; C506-V512 WeakPolarHBondContact CB-O 3.47Å; C506-C727 HydrophobicContact CB-CB 3.62Å; C506-C727 WeakPolarHBondContact CB-SG 3.49Å; C506-C727 WeakPolarHBondContact SG-CB 3.46Å; C506-C727 PolarHBondContact SG-N 2.72Å; C506-C727 VanDerWaalsContact SG-N 3.4Å; C506-C727 CovalentContact SG-SG 2.03Å; C506-C727 PolarHBondContact SG-SG 3.1Å
507	P	93.4	Very high	92.7	Very high	7 Å²	7	47 Å²	47	5%	0.045	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	5.6	-176.8	-22.3	33.4	0	0	0	117.5	F494 D501 D504	F494-P507 WeakPolarHBondContact CB-O 3.13Å; F494-P507 WeakPolarHBondContact CD1-O 3.29Å; D501-P507 HydrophobicContact CB-CB 4.15Å; D501-P507 HydrophobicContact CB-CG 4.35Å; D504-P507 HydrophobicContact CB-CG 4.19Å; D504-P507 WeakPolarHBondContact OD2-CA 3.06Å
508	E	92.6	Very high	92.6	Very high	56 Å²	56	53.3 Å²	53.3	26%	0.262	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	23.9	178	-61	-173.8	-148.5	0	0	109.8	R229 R471 L472 F494 D495 C506	R229-E508 IonicContact CZ-OE1 2.66Å; R229-E508 VanDerWaalsContact CZ-OE1 3.27Å; R229-E508 IonicContact NH1-OE1 2.97Å; R229-E508 PolarHBondContact NH1-OE1 3.22Å; R229-E508 IonicContact NH2-OE1 2.67Å; R229-E508 PolarHBondContact NH2-OE1 3.05Å; R471-E508 IonicContact CZ-OE2 2.88Å; R471-E508 VanDerWaalsContact CZ-OE2 3.31Å; R471-E508 IonicContact NH1-OE2 3.17Å; R471-E508 PolarHBondContact NH1-OE2 2.99Å; R471-E508 IonicContact NH2-OE2 3.82Å; R471-E508 PolarHBondContact NH2-OE2 3.36Å; L472-E508 HydrophobicContact CD1-CB 4.25Å; F494-E508 HydrophobicContact CD1-CB 4.45Å; F494-E508 HydrophobicContact CD1-CG 3.77Å; F494-E508 HydrophobicContact CE1-CG 3.89Å; D495-E508 PolarHBondContact OD2-N 2.96Å; C506-E508 PolarHBondContact O-N 2.85Å
509	N	94.1	Very high	92.5	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.053	27%	0.273	C	S	.	.			trans	-151.7	97.5	-176.4	-179.5	-14.3	0	0	0	110	L439 D495 C506 E511 V512	L439-N509 HydrophobicContact CD1-CB 3.97Å; L439-N509 HydrophobicContact CD2-CB 4.32Å; L439-N509 VanDerWaalsContact CD2-CG 3.46Å; L439-N509 VanDerWaalsContact CD2-OD1 3.3Å; L439-N509 WeakPolarHBondContact CD2-OD1 3.4Å; D495-N509 WeakPolarHBondContact OD2-CA 3.3Å; D495-N509 PolarHBondContact OD2-N 2.84Å; C506-N509 HydrophobicContact CB-CB 3.92Å; C506-N509 PolarHBondContact O-N 3.36Å; N509-E511 PolarHBondContact O-N 3.16Å; N509-E511 WeakPolarHBondContact OD1-CB 3.41Å; N509-E511 PolarHBondContact OD1-N 3.38Å; N509-V512 WeakPolarHBondContact ND2-CG2 3.32Å; N509-V512 PolarHBondContact O-N 3.16Å
510	A	92.6	Very high	92.5	Very high	54 Å²	54	51.5 Å²	51.5	45%	0.446	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11	-175.8	0	0	0	0	0	115.1	D495 D497	D495-A510 HydrophobicContact CB-CB 4.06Å; D495-A510 WeakPolarHBondContact O-CB 3.43Å; D495-A510 PolarHBondContact OD2-N 3.33Å; D497-A510 HydrophobicContact CB-CB 3.98Å
511	E	91.4	Very high	92.6	Very high	154 Å²	154	48.4 Å²	48.4	72%	0.72	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-14.2	177.4	-54.3	-165	152.7	0	0	112.5	N509	N509-E511 PolarHBondContact O-N 3.16Å; N509-E511 WeakPolarHBondContact OD1-CB 3.41Å; N509-E511 PolarHBondContact OD1-N 3.38Å
512	V	93.6	Very high	92.9	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.048	27%	0.267	C	S	.	.			trans	-128	79.4	-168.9	-169.9	0	0	0	0	112.4	C506 N509 T561 Y725	C506-V512 HydrophobicContact CB-CB 4.04Å; C506-V512 HydrophobicContact CB-CG1 4.24Å; C506-V512 WeakPolarHBondContact CB-O 3.47Å; N509-V512 WeakPolarHBondContact ND2-CG2 3.32Å; N509-V512 PolarHBondContact O-N 3.16Å; V512-T561 HydrophobicContact CB-CG2 4.37Å; V512-T561 HydrophobicContact CG1-CG2 3.98Å; V512-T561 HydrophobicContact CG2-CG2 3.37Å; V512-Y725 HydrophobicContact CG1-CE2 3.82Å
513	T	93.3	Very high	93.4	Very high	50 Å²	50	46.7 Å²	46.7	31%	0.307	25%	0.247	S	C	.	.			trans	-76	-41.1	-178	54.1	0	0	0	0	115.1	D497 I499 D504 V505	D497-T513 HydrophobicContact CB-CG2 4.29Å; D497-T513 WeakPolarHBondContact OD2-CG2 3.41Å; I499-T513 HydrophobicContact CG1-CG2 3.66Å; D504-T513 VanDerWaalsContact OD1-O 3.11Å; V505-T513 PolarHBondContact N-O 3.19Å
514	L	94.4	Very high	93.6	Very high	95 Å²	95	43.4 Å²	43.4	50%	0.497	23%	0.232	S	C	.	.	S	Bend	trans	-143.9	164.8	-170.3	-67.7	171.2	0	0	0	111.1	D516 Y725	L514-D516 PolarHBondContact O-N 3.42Å; L514-Y725 PolarHBondContact O-OH 3.49Å
515	T	95.6	Very high	93.7	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.049	23%	0.23	C	C	.	.			trans	-71	117.6	168.1	-60.8	0	0	0	0	110.2	F517 R544 L723 R724 Y725	T515-F517 HydrophobicContact CG2-CD2 4.16Å; T515-F517 HydrophobicContact CG2-CE2 3.98Å; T515-R544 HydrophobicContact CG2-CG 4Å; T515-R544 VanDerWaalsContact O-CG 3.22Å; T515-R544 WeakPolarHBondContact O-CG 3.49Å; T515-L723 HydrophobicContact CG2-CB 4.3Å; T515-L723 WeakPolarHBondContact CG2-O 3.43Å; T515-R724 WeakPolarHBondContact OG1-CA 3.49Å; T515-Y725 VanDerWaalsContact CA-CZ 3.49Å; T515-Y725 WeakPolarHBondContact CA-OH 3.44Å; T515-Y725 HydrophobicContact CG2-CD1 3.74Å; T515-Y725 HydrophobicContact CG2-CE1 3.62Å; T515-Y725 HydrophobicContact CG2-CG 4.43Å; T515-Y725 PolarHBondContact OG1-N 2.88Å
516	D	96	Very high	93.5	Very high	52 Å²	52	42.3 Å²	42.3	28%	0.278	23%	0.225	S	C	.	.			trans	-147.3	116.2	-178.4	-170	-5.4	0	0	0	111.6	L514 R518 Y725	L514-D516 PolarHBondContact O-N 3.42Å; D516-R518 VanDerWaalsContact OD1-CB 3.23Å; D516-R518 WeakPolarHBondContact OD1-CB 3.27Å; D516-R518 VanDerWaalsContact OD1-CG 3.23Å; D516-R518 WeakPolarHBondContact OD1-CG 3.06Å; D516-R518 IonicContact OD1-CZ 2.66Å; D516-R518 PolarHBondContact OD1-N 3.23Å; D516-R518 IonicContact OD1-NE 3.76Å; D516-R518 PolarHBondContact OD1-NE 2.97Å; D516-R518 IonicContact OD2-CZ 2.81Å; D516-R518 VanDerWaalsContact OD2-CZ 3.25Å; D516-R518 IonicContact OD2-NE 3.98Å; D516-R518 PolarHBondContact OD2-NE 3.21Å; D516-R518 IonicContact OD2-NH2 2.8Å; D516-R518 PolarHBondContact OD2-NH2 3.04Å; D516-Y725 PolarHBondContact N-OH 2.67Å
517	F	96	Very high	93.1	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.013	25%	0.251	C	S	.	.			trans	-110.7	19.2	173.1	-71.6	-88.7	0	0	0	113.1	T515 A519 Y520 G543 I546 F568 L708 L723 Y725	T515-F517 HydrophobicContact CG2-CD2 4.16Å; T515-F517 HydrophobicContact CG2-CE2 3.98Å; F517-A519 VanDerWaalsContact C-N 3.3Å; F517-A519 PolarHBondContact O-N 2.99Å; F517-Y520 VanDerWaalsContact O-CD1 3.3Å; F517-Y520 WeakPolarHBondContact O-CD1 3.49Å; F517-G543 WeakPolarHBondContact CB-O 3.28Å; F517-G543 WeakPolarHBondContact CD2-O 3.38Å; F517-G543 PolarHBondContact N-O 2.77Å; F517-I546 HydrophobicContact CB-CD1 3.84Å; F517-I546 HydrophobicContact CB-CG1 4.42Å; F517-I546 HydrophobicContact CD1-CD1 4.41Å; F517-I546 HydrophobicContact CG-CD1 4.11Å; F517-F568 HydrophobicContact CE2-CE2 4.17Å; F517-F568 HydrophobicContact CZ-CE2 4.11Å; F517-F568 HydrophobicContact CZ-CZ 4.19Å; F517-L708 HydrophobicContact CE1-CB 4.26Å; F517-L708 HydrophobicContact CZ-CB 4.07Å; F517-L723 HydrophobicContact CD2-CD1 3.86Å; F517-L723 HydrophobicContact CE2-CB 4.39Å; F517-L723 HydrophobicContact CE2-CD1 4.1Å; F517-Y725 HydrophobicContact CD2-CE1 4.34Å; F517-Y725 AromaticContact CE2-CD1 3.74Å; F517-Y725 HydrophobicContact CE2-CD1 3.74Å; F517-Y725 AromaticContact CE2-CE1 3.65Å; F517-Y725 HydrophobicContact CE2-CE1 3.65Å; F517-Y725 AromaticContact CZ-CD1 3.9Å; F517-Y725 HydrophobicContact CZ-CD1 3.9Å; F517-Y725 AromaticContact CZ-CE1 3.92Å; F517-Y725 HydrophobicContact CZ-CE1 3.92Å
518	R	91.3	Very high	92.3	Very high	152 Å²	152	53.2 Å²	53.2	57%	0.574	28%	0.283	S	S	*	.	S	Bend	trans	-63	-38.3	176.2	-70.9	176.8	-68.8	173.2	0.1	112.3	D516 Y520 V539 Q542	D516-R518 VanDerWaalsContact OD1-CB 3.23Å; D516-R518 WeakPolarHBondContact OD1-CB 3.27Å; D516-R518 VanDerWaalsContact OD1-CG 3.23Å; D516-R518 WeakPolarHBondContact OD1-CG 3.06Å; D516-R518 IonicContact OD1-CZ 2.66Å; D516-R518 PolarHBondContact OD1-N 3.23Å; D516-R518 IonicContact OD1-NE 3.76Å; D516-R518 PolarHBondContact OD1-NE 2.97Å; D516-R518 IonicContact OD2-CZ 2.81Å; D516-R518 VanDerWaalsContact OD2-CZ 3.25Å; D516-R518 IonicContact OD2-NE 3.98Å; D516-R518 PolarHBondContact OD2-NE 3.21Å; D516-R518 IonicContact OD2-NH2 2.8Å; D516-R518 PolarHBondContact OD2-NH2 3.04Å; R518-Y520 WeakPolarHBondContact O-CD1 3.28Å; R518-V539 HydrophobicContact CG-CG1 4.01Å; R518-Q542 PolarHBondContact NE-O 3.41Å
519	A	90.6	Very high	90.9	Very high	62 Å²	62	50.7 Å²	50.7	51%	0.512	27%	0.272	S	S	.	.	S	Bend	trans	-94.9	115	169.9	0	0	0	0	0	109.1	F517 Y560	F517-A519 VanDerWaalsContact C-N 3.3Å; F517-A519 PolarHBondContact O-N 2.99Å; A519-Y560 HydrophobicContact CB-CD2 3.84Å; A519-Y560 HydrophobicContact CB-CE2 4.06Å; A519-Y560 WeakPolarHBondContact O-CD2 3.46Å
520	Y	94	Very high	89.4	Confident	62 Å²	62	57 Å²	57	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.8	179.6	62.7	-84.2	0	0	0	111.4	F517 R518 T522 W537 V539 A557 V558	F517-Y520 VanDerWaalsContact O-CD1 3.3Å; F517-Y520 WeakPolarHBondContact O-CD1 3.49Å; R518-Y520 WeakPolarHBondContact O-CD1 3.28Å; Y520-T522 WeakPolarHBondContact CE2-OG1 3.5Å; Y520-W537 HydrophobicContact CE2-CB 4.03Å; Y520-W537 AromaticContact CE2-CD1 3.82Å; Y520-W537 HydrophobicContact CE2-CG 4.09Å; Y520-V539 HydrophobicContact CD1-CG2 4.12Å; Y520-V539 HydrophobicContact CE1-CG2 3.66Å; Y520-A557 HydrophobicContact CD2-CB 3.74Å; Y520-A557 HydrophobicContact CE2-CB 4.25Å; Y520-A557 HydrophobicContact CG-CB 4.34Å; Y520-V558 CarbonylContact C-O 3.55Å; Y520-V558 VanDerWaalsContact CA-O 3.23Å; Y520-V558 WeakPolarHBondContact CA-O 3.42Å; Y520-V558 WeakPolarHBondContact CB-O 3.07Å
521	Q	94.3	Very high	88	Confident	17 Å²	17	57 Å²	57	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.3	168	-175.2	-177	2.5	0	0	109.1	N405 V523 V558 Y560 R707	N405-Q521 PolarHBondContact O-NE2 3.18Å; Q521-V523 HydrophobicContact CG-CG2 3.99Å; Q521-V558 PolarHBondContact N-O 3.43Å; Q521-V558 PolarHBondContact O-N 3.27Å; Q521-Y560 HydrophobicContact CB-CE1 4.19Å; Q521-R707 VanDerWaalsContact OE1-CZ 3.26Å
522	T	93.4	Very high	86.6	Confident	62 Å²	62	57 Å²	57	38%	0.38	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.5	168.8	-60.7	0	0	0	0	109.1	Y520 P535 L556	Y520-T522 WeakPolarHBondContact CE2-OG1 3.5Å; T522-P535 HydrophobicContact CG2-CG 4.46Å; T522-L556 WeakPolarHBondContact CA-O 3.44Å
523	V	95.1	Very high	86.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.3	179.8	-176.2	0	0	0	0	108.9	N405 Q521 L525 G555 L556 V558 Y589	N405-V523 HydrophobicContact CB-CG1 4.28Å; Q521-V523 HydrophobicContact CG-CG2 3.99Å; V523-L525 HydrophobicContact CG1-CD2 4.13Å; V523-G555 CarbonylContact O-C 3.42Å; V523-G555 VanDerWaalsContact O-CA 3.25Å; V523-G555 WeakPolarHBondContact O-CA 3.35Å; V523-L556 HydrophobicContact CB-CB 4.07Å; V523-L556 HydrophobicContact CB-CD1 4.18Å; V523-L556 HydrophobicContact CB-CG 4.39Å; V523-L556 HydrophobicContact CG1-CD1 4.31Å; V523-L556 PolarHBondContact N-O 3.46Å; V523-L556 PolarHBondContact O-N 3.15Å; V523-V558 HydrophobicContact CG2-CG2 4.02Å; V523-Y589 HydrophobicContact CG2-CE2 4.42Å; V523-Y589 WeakPolarHBondContact CG2-OH 3.28Å
524	V	92.9	Very high	85.7	Confident	34 Å²	34	62.3 Å²	62.3	21%	0.206	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.4	177.7	-178.1	0	0	0	0	109.2
525	L	93.6	Very high	85.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-94	-6.7	-173.2	-61.9	172.2	0	0	0	113.7	V523 P554 L556 F595 G633 L636 L640 F711	V523-L525 HydrophobicContact CG1-CD2 4.13Å; L525-P554 HydrophobicContact CB-CB 4.04Å; L525-P554 HydrophobicContact CB-CG 4.04Å; L525-P554 WeakPolarHBondContact CB-O 3.37Å; L525-P554 HydrophobicContact CD1-CB 4.38Å; L525-P554 PolarHBondContact N-O 2.85Å; L525-L556 HydrophobicContact CD1-CD1 4.14Å; L525-L556 HydrophobicContact CD1-CD2 4.11Å; L525-L556 HydrophobicContact CD1-CG 3.92Å; L525-L556 HydrophobicContact CD2-CD1 4.14Å; L525-L556 HydrophobicContact CG-CD1 4.41Å; L525-L556 HydrophobicContact CG-CG 4.34Å; L525-F595 HydrophobicContact CD1-CZ 4.26Å; L525-F595 HydrophobicContact CD2-CE1 4.38Å; L525-F595 HydrophobicContact CD2-CZ 4.4Å; L525-G633 PolarHBondContact O-N 3.02Å; L525-L636 HydrophobicContact CD2-CD2 4.3Å; L525-L640 HydrophobicContact CB-CD1 4.49Å; L525-L640 HydrophobicContact CD1-CD1 3.74Å; L525-F711 HydrophobicContact CD1-CD2 4.46Å; L525-F711 HydrophobicContact CD1-CE2 4.16Å
526	D	91.1	Very high	85.4	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.011	33%	0.327	C	S	.	.			trans	-139.1	69.5	171.2	-170.1	35.3	0	0	0	112	E528 G529 P554 R637	D526-E528 PolarHBondContact O-N 3.39Å; D526-E528 VanDerWaalsContact O-N 3.13Å; D526-G529 PolarHBondContact O-N 2.74Å; D526-G529 WeakPolarHBondContact OD2-CA 3.31Å; D526-P554 HydrophobicContact CB-CG 3.95Å; D526-R637 HydrophobicContact CB-CB 4.3Å; D526-R637 HydrophobicContact CB-CG 4.37Å; D526-R637 IonicContact OD1-NH1 3.86Å; D526-R637 WeakPolarHBondContact OD2-CD 3.03Å; D526-R637 IonicContact OD2-CZ 3.2Å; D526-R637 IonicContact OD2-NE 2.69Å; D526-R637 IonicContact OD2-NH1 3.57Å; D526-R637 PolarHBondContact OD2-NH1 2.97Å
527	P	84.9	Confident	85.3	Confident	84 Å²	84	59.8 Å²	59.8	55%	0.545	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.6	-176.8	27	-35.3	0	0	0	113.8	P632	P527-P632 HydrophobicContact CG-CB 4.37Å
528	E	77	Confident	85.1	Confident	153 Å²	153	62.4 Å²	62.4	72%	0.715	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	5.1	177.1	-59.2	-168.6	161	0	0	113.1	D526	D526-E528 PolarHBondContact O-N 3.39Å; D526-E528 VanDerWaalsContact O-N 3.13Å
529	G	64.3	Low	85.3	Confident	3 Å²	3	57 Å²	57	3%	0.031	32%	0.317	C	S	.	.			trans	-60.8	153.3	-173	0	0	0	0	0	115	D526 Q532	D526-G529 PolarHBondContact O-N 2.74Å; D526-G529 WeakPolarHBondContact OD2-CA 3.31Å; G529-Q532 WeakPolarHBondContact O-CG 3.48Å
530	D	62	Low	85.5	Confident	143 Å²	143	56.9 Å²	56.9	77%	0.765	31%	0.307	S	S	*	.	S	Bend	trans	-79.5	-17.4	178.5	-74.4	-48.8	0	0	0	112.9	Q609	D530-Q609 PolarHBondContact OD2-NE2 3.32Å
531	A	62.7	Low	85.6	Confident	52 Å²	52	54 Å²	54	43%	0.43	30%	0.296	S	S	.	.	S	Bend	trans	-83.5	-34.1	-177.8	0	0	0	0	0	112.2	I533 D553	A531-I533 PolarHBondContact O-N 3.13Å; A531-D553 WeakPolarHBondContact CB-OD1 3.38Å
532	Q	63.1	Low	85.5	Confident	156 Å²	156	60 Å²	60	73%	0.729	32%	0.324	S	S	*	.			trans	48.4	25.3	174.4	-63.1	-166	-28.1	0	0	115	G529 D553	G529-Q532 WeakPolarHBondContact O-CG 3.48Å; Q532-D553 WeakPolarHBondContact CA-OD2 3.39Å; Q532-D553 PolarHBondContact N-OD2 3.35Å
533	I	82.3	Confident	85.5	Confident	74 Å²	74	57 Å²	57	38%	0.379	31%	0.306	S	S	.	.			trans	-105.3	108.2	172.7	-62.7	172.4	0	0	0	106.3	A531 M550 S552 D553	A531-I533 PolarHBondContact O-N 3.13Å; I533-M550 HydrophobicContact CG2-CB 4.16Å; I533-M550 HydrophobicContact CG2-CE 3.61Å; I533-S552 VanDerWaalsContact O-CA 3.27Å; I533-S552 WeakPolarHBondContact O-CA 3.41Å; I533-S552 WeakPolarHBondContact O-CB 3.25Å; I533-D553 PolarHBondContact O-N 3.13Å
534	D	85.2	Confident	85.6	Confident	95 Å²	95	60.1 Å²	60.1	51%	0.508	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-70.2	151.1	173.7	-66.3	-36.7	0	0	0	110.6	N536	D534-N536 PolarHBondContact O-N 3.04Å
535	P	91.3	Very high	85.9	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.071	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-63.6	135.6	174.3	27.1	-35	0	0	0	110.8	T522 W537 Q548	T522-P535 HydrophobicContact CG2-CG 4.46Å; P535-W537 HydrophobicContact CB-CD2 4.36Å; P535-W537 HydrophobicContact CB-CH2 4.36Å; P535-W537 HydrophobicContact CB-CZ2 3.57Å; P535-W537 HydrophobicContact CG-CZ2 3.71Å; P535-Q548 HydrophobicContact CB-CG 4.11Å
536	N	91.5	Very high	86.1	Confident	76 Å²	76	58.7 Å²	58.7	41%	0.406	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-97.7	117.8	170	-178.2	42.7	0	0	0	109.2	D534 Q548 T549 M550	D534-N536 PolarHBondContact O-N 3.04Å; N536-Q548 VanDerWaalsContact O-CA 3.31Å; N536-Q548 WeakPolarHBondContact O-CA 3.5Å; N536-T549 PolarHBondContact ND2-OG1 2.88Å; N536-T549 PolarHBondContact O-N 3.44Å; N536-M550 HydrophobicContact CB-CG 3.64Å
537	W	93.8	Very high	86.4	Confident	15 Å²	15	59.8 Å²	59.8	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.7	-177.8	-52.3	104.6	0	0	0	110.2	Y520 P535 I546 Q548 A557 V710 C712 W720	Y520-W537 HydrophobicContact CE2-CB 4.03Å; Y520-W537 AromaticContact CE2-CD1 3.82Å; Y520-W537 HydrophobicContact CE2-CG 4.09Å; P535-W537 HydrophobicContact CB-CD2 4.36Å; P535-W537 HydrophobicContact CB-CH2 4.36Å; P535-W537 HydrophobicContact CB-CZ2 3.57Å; P535-W537 HydrophobicContact CG-CZ2 3.71Å; W537-I546 HydrophobicContact CE3-CG2 3.82Å; W537-Q548 HydrophobicContact CD2-CG 4.32Å; W537-Q548 HydrophobicContact CE3-CB 3.74Å; W537-Q548 HydrophobicContact CE3-CG 3.79Å; W537-Q548 HydrophobicContact CH2-CG 4.08Å; W537-Q548 HydrophobicContact CZ3-CB 3.66Å; W537-Q548 HydrophobicContact CZ3-CG 3.66Å; W537-A557 HydrophobicContact CD2-CB 3.71Å; W537-A557 HydrophobicContact CE3-CB 4.06Å; W537-A557 HydrophobicContact CG-CB 4.08Å; W537-A557 HydrophobicContact CH2-CB 4.4Å; W537-A557 HydrophobicContact CZ2-CB 4.09Å; W537-A557 HydrophobicContact CZ3-CB 4.38Å; W537-V710 HydrophobicContact CE3-CG2 4.12Å; W537-V710 HydrophobicContact CH2-CG2 4.1Å; W537-V710 HydrophobicContact CZ3-CG2 3.59Å; W537-C712 HydrophobicContact CH2-CB 4.22Å; W537-C712 WeakPolarHBondContact CH2-SG 3.26Å; W537-W720 HydrophobicContact CE3-CZ3 4.36Å; W537-W720 HydrophobicContact CH2-CH2 4.37Å; W537-W720 AromaticContact CZ3-CH2 3.72Å; W537-W720 HydrophobicContact CZ3-CH2 3.72Å; W537-W720 AromaticContact CZ3-CZ3 3.7Å; W537-W720 HydrophobicContact CZ3-CZ3 3.7Å
538	V	93.6	Very high	86.9	Confident	57 Å²	57	55.8 Å²	55.8	35%	0.345	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126	174.4	-177.9	0	0	0	0	107.9	L540 I546 V547 T549	V538-L540 HydrophobicContact CG1-CD2 4.31Å; V538-L540 HydrophobicContact CG1-CG 4.32Å; V538-I546 CarbonylContact O-C 3.55Å; V538-I546 WeakPolarHBondContact O-CA 3.46Å; V538-V547 HydrophobicContact CB-CB 4.39Å; V538-V547 PolarHBondContact N-O 3.38Å; V538-V547 PolarHBondContact O-N 3.46Å; V538-T549 HydrophobicContact CG2-CG2 4.44Å
539	V	94.4	Very high	87.7	Confident	40 Å²	40	50.6 Å²	50.6	24%	0.242	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.7	-178.2	-175	0	0	0	0	110.2	R518 Y520 E545	R518-V539 HydrophobicContact CG-CG1 4.01Å; Y520-V539 HydrophobicContact CD1-CG2 4.12Å; Y520-V539 HydrophobicContact CE1-CG2 3.66Å; V539-E545 CarbonylContact C-O 3.42Å; V539-E545 WeakPolarHBondContact CA-O 3.01Å
540	L	94.6	Very high	88.9	Confident	58 Å²	58	54 Å²	54	30%	0.304	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-179.1	-178.3	-58.7	171.2	0	0	0	110	V538 Q542 G543 R544 E545 V547	V538-L540 HydrophobicContact CG1-CD2 4.31Å; V538-L540 HydrophobicContact CG1-CG 4.32Å; L540-Q542 PolarHBondContact O-N 2.76Å; L540-G543 PolarHBondContact O-N 3.44Å; L540-R544 PolarHBondContact O-N 2.99Å; L540-E545 HydrophobicContact CB-CB 4Å; L540-E545 HydrophobicContact CB-CG 4.19Å; L540-E545 PolarHBondContact N-O 2.91Å; L540-E545 PolarHBondContact O-N 2.82Å; L540-E545 VanDerWaalsContact O-N 3.17Å; L540-V547 HydrophobicContact CD1-CG2 4.09Å
541	D	95.6	Very high	90.4	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	44.3	41.5	-175.8	-165.5	28.8	0	0	0	113	G281 E283 G543 R544 E545	G281-D541 WeakPolarHBondContact CA-OD1 3.4Å; E283-D541 PolarHBondContact OE1-N 2.89Å; D541-G543 PolarHBondContact O-N 2.91Å; D541-G543 VanDerWaalsContact O-N 3.15Å; D541-R544 HydrophobicContact CB-CB 4.07Å; D541-R544 WeakPolarHBondContact O-CB 3.43Å; D541-R544 PolarHBondContact O-N 3.46Å; D541-R544 VanDerWaalsContact O-N 3.11Å; D541-R544 WeakPolarHBondContact OD2-CB 3.21Å; D541-R544 IonicContact OD2-CZ 3.65Å; D541-R544 VanDerWaalsContact OD2-CZ 3.29Å; D541-R544 IonicContact OD2-NE 3.53Å; D541-R544 IonicContact OD2-NH1 2.65Å; D541-R544 PolarHBondContact OD2-NH1 2.77Å; D541-R544 IonicContact OD2-NH2 3.11Å; D541-E545 HydrophobicContact CB-CB 4.08Å
542	Q	93.1	Very high	91.7	Very high	141 Å²	141	47.9 Å²	47.9	66%	0.659	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	55.4	34.6	178.6	-59.1	159.1	8.6	0	0	113.6	R518 L540	R518-Q542 PolarHBondContact NE-O 3.41Å; L540-Q542 PolarHBondContact O-N 2.76Å
543	G	94.1	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	101.6	4.3	-179.5	0	0	0	0	0	114.6	F517 L540 D541	F517-G543 WeakPolarHBondContact CB-O 3.28Å; F517-G543 WeakPolarHBondContact CD2-O 3.38Å; F517-G543 PolarHBondContact N-O 2.77Å; L540-G543 PolarHBondContact O-N 3.44Å; D541-G543 PolarHBondContact O-N 2.91Å; D541-G543 VanDerWaalsContact O-N 3.15Å
544	R	96.9	Very high	93.7	Very high	66 Å²	66	37.2 Å²	37.2	25%	0.249	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	2.6	-179.8	-66.9	177	53.6	-124.9	-18.7	113.8	T515 L540 D541 N722 L723	T515-R544 HydrophobicContact CG2-CG 4Å; T515-R544 VanDerWaalsContact O-CG 3.22Å; T515-R544 WeakPolarHBondContact O-CG 3.49Å; L540-R544 PolarHBondContact O-N 2.99Å; D541-R544 HydrophobicContact CB-CB 4.07Å; D541-R544 WeakPolarHBondContact O-CB 3.43Å; D541-R544 PolarHBondContact O-N 3.46Å; D541-R544 VanDerWaalsContact O-N 3.11Å; D541-R544 WeakPolarHBondContact OD2-CB 3.21Å; D541-R544 IonicContact OD2-CZ 3.65Å; D541-R544 VanDerWaalsContact OD2-CZ 3.29Å; D541-R544 IonicContact OD2-NE 3.53Å; D541-R544 IonicContact OD2-NH1 2.65Å; D541-R544 PolarHBondContact OD2-NH1 2.77Å; D541-R544 IonicContact OD2-NH2 3.11Å; R544-N722 PolarHBondContact NH2-OD1 2.91Å; R544-N722 PolarHBondContact O-N 3.45Å; R544-N722 VanDerWaalsContact O-N 3.15Å; R544-L723 PolarHBondContact NE-O 3.41Å; R544-L723 VanDerWaalsContact O-CB 3.31Å; R544-L723 WeakPolarHBondContact O-CB 3.21Å; R544-L723 WeakPolarHBondContact O-CG 3.27Å; R544-L723 PolarHBondContact O-N 2.72Å
545	E	98.4	Very high	94.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.9	172.2	-178.8	164.5	107.6	0	0	110.2	N279 S280 V539 L540 D541 I719 W720 A721	N279-E545 WeakPolarHBondContact CA-OE2 3.37Å; S280-E545 PolarHBondContact N-OE2 3.48Å; S280-E545 PolarHBondContact OG-OE2 3.46Å; V539-E545 CarbonylContact C-O 3.42Å; V539-E545 WeakPolarHBondContact CA-O 3.01Å; L540-E545 HydrophobicContact CB-CB 4Å; L540-E545 HydrophobicContact CB-CG 4.19Å; L540-E545 PolarHBondContact N-O 2.91Å; L540-E545 PolarHBondContact O-N 2.82Å; L540-E545 VanDerWaalsContact O-N 3.17Å; D541-E545 HydrophobicContact CB-CB 4.08Å; E545-I719 HydrophobicContact CG-CG2 4.33Å; E545-W720 CarbonylContact C-O 3.59Å; E545-W720 VanDerWaalsContact CA-O 3.27Å; E545-W720 WeakPolarHBondContact CA-O 3.32Å; E545-A721 HydrophobicContact CG-CB 4.18Å; E545-A721 WeakPolarHBondContact OE2-CB 3.12Å
546	I	98.1	Very high	94.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.6	176.3	-55.7	173.4	0	0	0	107.5	F517 W537 V538 V710 W720 L723	F517-I546 HydrophobicContact CB-CD1 3.84Å; F517-I546 HydrophobicContact CB-CG1 4.42Å; F517-I546 HydrophobicContact CD1-CD1 4.41Å; F517-I546 HydrophobicContact CG-CD1 4.11Å; W537-I546 HydrophobicContact CE3-CG2 3.82Å; V538-I546 CarbonylContact O-C 3.55Å; V538-I546 WeakPolarHBondContact O-CA 3.46Å; I546-V710 HydrophobicContact CD1-CG1 4.2Å; I546-V710 HydrophobicContact CD1-CG2 3.94Å; I546-V710 HydrophobicContact CG2-CG2 4.13Å; I546-W720 HydrophobicContact CB-CE3 4.36Å; I546-W720 HydrophobicContact CG2-CE3 4.32Å; I546-W720 PolarHBondContact N-O 3.44Å; I546-W720 PolarHBondContact O-N 3.25Å; I546-L723 HydrophobicContact CD1-CD1 3.88Å; I546-L723 HydrophobicContact CG1-CD1 3.94Å
547	V	97.6	Very high	94.7	Very high	25 Å²	25	28.6 Å²	28.6	15%	0.152	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.2	173.9	-175.8	0	0	0	0	108.8	V538 L540 T549 I718 I719	V538-V547 HydrophobicContact CB-CB 4.39Å; V538-V547 PolarHBondContact N-O 3.38Å; V538-V547 PolarHBondContact O-N 3.46Å; L540-V547 HydrophobicContact CD1-CG2 4.09Å; V547-T549 HydrophobicContact CG1-CG2 4.19Å; V547-I718 CarbonylContact C-O 3.52Å; V547-I718 VanDerWaalsContact CA-O 3.3Å; V547-I718 WeakPolarHBondContact CA-O 3.41Å; V547-I719 HydrophobicContact CG1-CG1 4.26Å; V547-I719 HydrophobicContact CG2-CG1 4.18Å; V547-I719 HydrophobicContact CG2-CG2 4.26Å
548	Q	96.2	Very high	95	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126	172.9	-166.7	-73.3	-15.5	0	0	109.2	P535 N536 W537 M550 S552 C712 Q715 N717 I718 W720	P535-Q548 HydrophobicContact CB-CG 4.11Å; N536-Q548 VanDerWaalsContact O-CA 3.31Å; N536-Q548 WeakPolarHBondContact O-CA 3.5Å; W537-Q548 HydrophobicContact CD2-CG 4.32Å; W537-Q548 HydrophobicContact CE3-CB 3.74Å; W537-Q548 HydrophobicContact CE3-CG 3.79Å; W537-Q548 HydrophobicContact CH2-CG 4.08Å; W537-Q548 HydrophobicContact CZ3-CB 3.66Å; W537-Q548 HydrophobicContact CZ3-CG 3.66Å; Q548-M550 VanDerWaalsContact CD-O 3.26Å; Q548-M550 PolarHBondContact NE2-O 3.29Å; Q548-M550 PolarHBondContact OE1-O 3.49Å; Q548-S552 PolarHBondContact NE2-OG 2.92Å; Q548-C712 HydrophobicContact CG-CB 4.44Å; Q548-Q715 PolarHBondContact OE1-O 3.23Å; Q548-Q715 VanDerWaalsContact OE1-O 3.11Å; Q548-N717 CarbonylContact O-C 3.59Å; Q548-N717 WeakPolarHBondContact O-CA 3.35Å; Q548-N717 PolarHBondContact O-N 2.95Å; Q548-I718 PolarHBondContact N-O 2.96Å; Q548-I718 PolarHBondContact O-N 3.28Å; Q548-W720 HydrophobicContact CB-CH2 3.9Å; Q548-W720 HydrophobicContact CB-CZ3 3.55Å
549	T	91.9	Very high	95.1	Very high	44 Å²	44	25.4 Å²	25.4	27%	0.27	13%	0.13	S	C	.	.			trans	-107.8	-10.2	-166.7	65	0	0	0	0	114.8	N536 V538 V547	N536-T549 PolarHBondContact ND2-OG1 2.88Å; N536-T549 PolarHBondContact O-N 3.44Å; V538-T549 HydrophobicContact CG2-CG2 4.44Å; V547-T549 HydrophobicContact CG1-CG2 4.19Å
550	M	91.3	Very high	95.1	Very high	75 Å²	75	29.2 Å²	29.2	37%	0.369	14%	0.141	S	C	.	.	S	Bend	trans	-110.2	144.3	-169.3	-66.2	-61.2	-70.3	0	0	112	I533 N536 Q548 S552	I533-M550 HydrophobicContact CG2-CB 4.16Å; I533-M550 HydrophobicContact CG2-CE 3.61Å; N536-M550 HydrophobicContact CB-CG 3.64Å; Q548-M550 VanDerWaalsContact CD-O 3.26Å; Q548-M550 PolarHBondContact NE2-O 3.29Å; Q548-M550 PolarHBondContact OE1-O 3.49Å; M550-S552 PolarHBondContact O-N 2.84Å
551	N	92.1	Very high	95.1	Very high	61 Å²	61	28.6 Å²	28.6	33%	0.326	14%	0.14	S	C	.	.			trans	-75.9	95.7	162.4	-169.9	-13.2	0	0	0	108.5	D579 S714 E716	N551-D579 PolarHBondContact ND2-OD2 2.89Å; N551-S714 WeakPolarHBondContact OD1-CA 3.11Å; N551-S714 PolarHBondContact OD1-O 2.8Å; N551-S714 VanDerWaalsContact OD1-O 3.12Å; N551-S714 PolarHBondContact OD1-OG 2.83Å; N551-E716 HydrophobicContact CB-CB 4.32Å
552	S	91.4	Very high	95	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	15%	0.146	C	C	.	.			trans	-113.9	165.5	-165.5	72.4	0	0	0	0	114.1	I533 Q548 M550 S714	I533-S552 VanDerWaalsContact O-CA 3.27Å; I533-S552 WeakPolarHBondContact O-CA 3.41Å; I533-S552 WeakPolarHBondContact O-CB 3.25Å; Q548-S552 PolarHBondContact NE2-OG 2.92Å; M550-S552 PolarHBondContact O-N 2.84Å; S552-S714 WeakPolarHBondContact O-CA 3.17Å; S552-S714 PolarHBondContact O-N 2.81Å
553	D	90.9	Very high	95.2	Very high	7 Å²	7	23 Å²	23	4%	0.037	12%	0.116	C	C	.	.	S	Bend	trans	-55.9	159.1	161.4	-79	-41.6	0	0	0	111.1	A531 Q532 I533 G555	A531-D553 WeakPolarHBondContact CB-OD1 3.38Å; Q532-D553 WeakPolarHBondContact CA-OD2 3.39Å; Q532-D553 PolarHBondContact N-OD2 3.35Å; I533-D553 PolarHBondContact O-N 3.13Å; D553-G555 PolarHBondContact O-N 3.06Å
554	P	94.6	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-61.1	125.8	179.5	25.5	-34.5	0	0	0	110.4	L525 D526 R637 F711 C712 F713	L525-P554 HydrophobicContact CB-CB 4.04Å; L525-P554 HydrophobicContact CB-CG 4.04Å; L525-P554 WeakPolarHBondContact CB-O 3.37Å; L525-P554 HydrophobicContact CD1-CB 4.38Å; L525-P554 PolarHBondContact N-O 2.85Å; D526-P554 HydrophobicContact CB-CG 3.95Å; P554-R637 HydrophobicContact CG-CG 4.23Å; P554-F711 HydrophobicContact CB-CE2 4.49Å; P554-C712 WeakPolarHBondContact CA-O 3.36Å; P554-F713 HydrophobicContact CB-CB 4.03Å; P554-F713 HydrophobicContact CB-CD1 3.73Å; P554-F713 HydrophobicContact CB-CD2 3.88Å; P554-F713 HydrophobicContact CB-CE1 4.06Å; P554-F713 HydrophobicContact CB-CE2 4.23Å; P554-F713 HydrophobicContact CB-CG 3.64Å; P554-F713 HydrophobicContact CB-CZ 4.31Å; P554-F713 HydrophobicContact CG-CD1 4.39Å; P554-F713 HydrophobicContact CG-CD2 4.2Å; P554-F713 HydrophobicContact CG-CE1 4.24Å; P554-F713 HydrophobicContact CG-CE2 4.09Å; P554-F713 HydrophobicContact CG-CG 4.38Å; P554-F713 HydrophobicContact CG-CZ 4.1Å
555	G	95.4	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.4	-176.4	0	0	0	0	0	113.3	V523 D553 C712	V523-G555 CarbonylContact O-C 3.42Å; V523-G555 VanDerWaalsContact O-CA 3.25Å; V523-G555 WeakPolarHBondContact O-CA 3.35Å; D553-G555 PolarHBondContact O-N 3.06Å; G555-C712 PolarHBondContact N-O 2.96Å; G555-C712 PolarHBondContact O-N 2.87Å
556	L	97.9	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.5	-179.7	-48	170.8	0	0	0	109.5	T522 V523 L525 V558 I586 Y589 F595 V710 F711	T522-L556 WeakPolarHBondContact CA-O 3.44Å; V523-L556 HydrophobicContact CB-CB 4.07Å; V523-L556 HydrophobicContact CB-CD1 4.18Å; V523-L556 HydrophobicContact CB-CG 4.39Å; V523-L556 HydrophobicContact CG1-CD1 4.31Å; V523-L556 PolarHBondContact N-O 3.46Å; V523-L556 PolarHBondContact O-N 3.15Å; L525-L556 HydrophobicContact CD1-CD1 4.14Å; L525-L556 HydrophobicContact CD1-CD2 4.11Å; L525-L556 HydrophobicContact CD1-CG 3.92Å; L525-L556 HydrophobicContact CD2-CD1 4.14Å; L525-L556 HydrophobicContact CG-CD1 4.41Å; L525-L556 HydrophobicContact CG-CG 4.34Å; L556-V558 HydrophobicContact CB-CG2 3.7Å; L556-V558 HydrophobicContact CD1-CG2 4.42Å; L556-I586 HydrophobicContact CB-CD1 4.31Å; L556-I586 HydrophobicContact CD1-CD1 3.96Å; L556-I586 HydrophobicContact CD2-CD1 4.16Å; L556-I586 HydrophobicContact CD2-CG2 3.68Å; L556-I586 HydrophobicContact CG-CD1 4.38Å; L556-Y589 HydrophobicContact CD1-CD2 4.03Å; L556-Y589 HydrophobicContact CD1-CE2 3.68Å; L556-F595 HydrophobicContact CD1-CE1 4.39Å; L556-F595 HydrophobicContact CD1-CE2 4.47Å; L556-F595 HydrophobicContact CD1-CZ 4.25Å; L556-V710 WeakPolarHBondContact CA-O 3.14Å; L556-F711 HydrophobicContact CD2-CB 3.81Å; L556-F711 HydrophobicContact CD2-CD2 3.5Å; L556-F711 VanDerWaalsContact CD2-CD2 3.5Å; L556-F711 HydrophobicContact CD2-CG 4.1Å
557	A	97.7	Very high	94.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.5	157.4	0	0	0	0	0	107.5	Y520 W537 G709 V710	Y520-A557 HydrophobicContact CD2-CB 3.74Å; Y520-A557 HydrophobicContact CE2-CB 4.25Å; Y520-A557 HydrophobicContact CG-CB 4.34Å; W537-A557 HydrophobicContact CD2-CB 3.71Å; W537-A557 HydrophobicContact CE3-CB 4.06Å; W537-A557 HydrophobicContact CG-CB 4.08Å; W537-A557 HydrophobicContact CH2-CB 4.4Å; W537-A557 HydrophobicContact CZ2-CB 4.09Å; W537-A557 HydrophobicContact CZ3-CB 4.38Å; A557-G709 CarbonylContact O-C 3.56Å; A557-G709 WeakPolarHBondContact O-CA 3.17Å; A557-V710 HydrophobicContact CB-CG2 3.86Å; A557-V710 PolarHBondContact N-O 2.96Å; A557-V710 VanDerWaalsContact N-O 3.17Å; A557-V710 PolarHBondContact O-N 2.73Å
558	V	98.2	Very high	95	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.8	-171.8	-166.9	0	0	0	0	109.2	Y520 Q521 V523 L556 I586 Y589 R707 L708	Y520-V558 CarbonylContact C-O 3.55Å; Y520-V558 VanDerWaalsContact CA-O 3.23Å; Y520-V558 WeakPolarHBondContact CA-O 3.42Å; Y520-V558 WeakPolarHBondContact CB-O 3.07Å; Q521-V558 PolarHBondContact N-O 3.43Å; Q521-V558 PolarHBondContact O-N 3.27Å; V523-V558 HydrophobicContact CG2-CG2 4.02Å; L556-V558 HydrophobicContact CB-CG2 3.7Å; L556-V558 HydrophobicContact CD1-CG2 4.42Å; V558-I586 HydrophobicContact CG1-CD1 4.28Å; V558-I586 HydrophobicContact CG2-CD1 3.65Å; V558-Y589 HydrophobicContact CG1-CD1 3.77Å; V558-Y589 HydrophobicContact CG1-CE1 4.38Å; V558-Y589 HydrophobicContact CG1-CG 3.89Å; V558-Y589 HydrophobicContact CG2-CD2 4.26Å; V558-Y589 HydrophobicContact CG2-CE2 4.29Å; V558-Y589 HydrophobicContact CG2-CG 4.37Å; V558-R707 HydrophobicContact CG1-CB 3.73Å; V558-L708 CarbonylContact C-O 3.46Å; V558-L708 WeakPolarHBondContact CA-O 3.19Å; V558-L708 WeakPolarHBondContact CG1-O 3.37Å
559	G	96.5	Very high	95.1	Very high	5 Å²	5	21.9 Å²	21.9	5%	0.052	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	154.1	172.5	0	0	0	0	0	110.9	R707 L708	G559-R707 WeakPolarHBondContact O-CD 3.26Å; G559-L708 PolarHBondContact N-O 3.06Å
560	Y	93.8	Very high	95.4	Very high	120 Å²	120	19.8 Å²	19.8	47%	0.471	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-28.2	-179.3	-71.6	-75.9	0	0	0	113.5	L407 A519 Q521 A562 R707	L407-Y560 HydrophobicContact CD1-CD1 4.21Å; L407-Y560 HydrophobicContact CD1-CE1 4.22Å; A519-Y560 HydrophobicContact CB-CD2 3.84Å; A519-Y560 HydrophobicContact CB-CE2 4.06Å; A519-Y560 WeakPolarHBondContact O-CD2 3.46Å; Q521-Y560 HydrophobicContact CB-CE1 4.19Å; Y560-A562 PolarHBondContact O-N 3.11Å; Y560-R707 VanDerWaalsContact O-CD 3.23Å; Y560-R707 WeakPolarHBondContact O-CD 3.26Å
561	T	94.6	Very high	95.7	Very high	45 Å²	45	16.2 Å²	16.2	28%	0.276	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128.7	179.9	-50.4	0	0	0	0	111.8	V512 F563	V512-T561 HydrophobicContact CB-CG2 4.37Å; V512-T561 HydrophobicContact CG1-CG2 3.98Å; V512-T561 HydrophobicContact CG2-CG2 3.37Å; T561-F563 HydrophobicContact CG2-CE1 4.03Å; T561-F563 HydrophobicContact CG2-CE2 3.86Å; T561-F563 HydrophobicContact CG2-CZ 3.54Å; T561-F563 VanDerWaalsContact O-CE2 3.32Å; T561-F563 WeakPolarHBondContact O-CE2 2.98Å
562	A	95.3	Very high	96	Very high	19 Å²	19	13.6 Å²	13.6	16%	0.157	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	154	175.2	0	0	0	0	0	111.3	S436 Y560 R707	S436-A562 WeakPolarHBondContact O-CB 3.24Å; Y560-A562 PolarHBondContact O-N 3.11Å; A562-R707 HydrophobicContact CB-CG 3.88Å
563	F	96.3	Very high	96.3	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.026	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.7	-173.1	-58.3	-92.6	0	0	0	112.3	T561 V566 G705 G706 L708 Y725	T561-F563 HydrophobicContact CG2-CE1 4.03Å; T561-F563 HydrophobicContact CG2-CE2 3.86Å; T561-F563 HydrophobicContact CG2-CZ 3.54Å; T561-F563 VanDerWaalsContact O-CE2 3.32Å; T561-F563 WeakPolarHBondContact O-CE2 2.98Å; F563-V566 HydrophobicContact CB-CB 3.89Å; F563-V566 HydrophobicContact CB-CG1 4.31Å; F563-V566 HydrophobicContact CB-CG2 4.37Å; F563-V566 HydrophobicContact CD1-CB 4.26Å; F563-V566 HydrophobicContact CD1-CG2 3.92Å; F563-V566 HydrophobicContact CD2-CG2 4.45Å; F563-V566 HydrophobicContact CE1-CG2 4.33Å; F563-V566 HydrophobicContact CG-CB 4.07Å; F563-V566 HydrophobicContact CG-CG2 3.99Å; F563-G705 WeakPolarHBondContact O-CA 3.44Å; F563-G706 PolarHBondContact N-O 2.79Å; F563-G706 PolarHBondContact O-N 2.73Å; F563-L708 HydrophobicContact CD2-CD1 4.07Å; F563-L708 HydrophobicContact CD2-CG 3.87Å; F563-L708 HydrophobicContact CE2-CB 4.49Å; F563-L708 HydrophobicContact CE2-CD1 3.69Å; F563-L708 HydrophobicContact CE2-CG 3.78Å; F563-L708 HydrophobicContact CZ-CD1 4.2Å; F563-Y725 AromaticContact CE1-CD2 3.67Å; F563-Y725 HydrophobicContact CE1-CD2 3.67Å; F563-Y725 AromaticContact CE1-CE2 4Å; F563-Y725 HydrophobicContact CE1-CE2 4Å; F563-Y725 HydrophobicContact CE1-CG 4.27Å; F563-Y725 HydrophobicContact CZ-CD1 4.19Å; F563-Y725 AromaticContact CZ-CD2 3.49Å; F563-Y725 HydrophobicContact CZ-CD2 3.49Å; F563-Y725 VanDerWaalsContact CZ-CD2 3.49Å; F563-Y725 HydrophobicContact CZ-CE1 4.27Å; F563-Y725 AromaticContact CZ-CE2 3.62Å; F563-Y725 HydrophobicContact CZ-CE2 3.62Å; F563-Y725 AromaticContact CZ-CG 3.82Å; F563-Y725 HydrophobicContact CZ-CG 3.82Å
564	N	91.8	Very high	96.6	Very high	14 Å²	14	13.1 Å²	13.1	8%	0.075	7%	0.067	C	C	.	.	S	Bend	trans	-80.9	-33.6	170.3	-63.1	-8	0	0	0	111.7	N435 S436 A437 E449 P676	N435-N564 WeakPolarHBondContact CA-OD1 3.32Å; S436-N564 PolarHBondContact N-OD1 2.84Å; A437-N564 PolarHBondContact N-OD1 2.87Å; E449-N564 PolarHBondContact OE1-ND2 2.82Å; N564-P676 WeakPolarHBondContact O-CD 3.3Å; N564-P676 WeakPolarHBondContact O-CG 3.42Å
565	G	95.2	Very high	96.7	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.021	8%	0.077	C	C	.	.	S	Bend	trans	-157.7	130.4	177.7	0	0	0	0	0	109	N728 D729	G565-N728 CarbonylContact C-O 3.56Å; G565-N728 PolarHBondContact O-N 3.1Å; G565-D729 WeakPolarHBondContact CA-OD1 3.35Å; G565-D729 PolarHBondContact N-OD1 3.12Å; G565-D729 VanDerWaalsContact N-OD1 3.11Å
566	V	97.6	Very high	96.7	Very high	4 Å²	4	16 Å²	16	2%	0.024	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.9	-166.3	69	0	0	0	0	112.9	F563 H674 R675 L708 R726	F563-V566 HydrophobicContact CB-CB 3.89Å; F563-V566 HydrophobicContact CB-CG1 4.31Å; F563-V566 HydrophobicContact CB-CG2 4.37Å; F563-V566 HydrophobicContact CD1-CB 4.26Å; F563-V566 HydrophobicContact CD1-CG2 3.92Å; F563-V566 HydrophobicContact CD2-CG2 4.45Å; F563-V566 HydrophobicContact CE1-CG2 4.33Å; F563-V566 HydrophobicContact CG-CB 4.07Å; F563-V566 HydrophobicContact CG-CG2 3.99Å; V566-H674 HydrophobicContact CG1-CB 4.11Å; V566-H674 PolarHBondContact N-O 2.6Å; V566-H674 PolarHBondContact O-N 2.96Å; V566-R675 PolarHBondContact O-NH1 2.91Å; V566-R675 VanDerWaalsContact O-NH1 3.08Å; V566-L708 HydrophobicContact CG1-CD2 4.2Å; V566-L708 HydrophobicContact CG2-CD1 3.95Å; V566-R726 WeakPolarHBondContact CA-O 3.15Å
567	D	97.7	Very high	96.5	Very high	21 Å²	21	20.9 Å²	20.9	11%	0.112	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.3	159.7	-66.7	-20.5	0	0	0	107.8	F671 L672 Q673 R675 Y725 R726 N728	D567-F671 HydrophobicContact CB-CZ 4.27Å; D567-L672 CarbonylContact C-O 3.49Å; D567-L672 VanDerWaalsContact CA-O 3.27Å; D567-L672 WeakPolarHBondContact CA-O 3.38Å; D567-Q673 WeakPolarHBondContact OD1-CG 3.36Å; D567-R675 IonicContact OD1-CZ 2.77Å; D567-R675 VanDerWaalsContact OD1-CZ 3.26Å; D567-R675 IonicContact OD1-NH1 3.26Å; D567-R675 PolarHBondContact OD1-NH1 3Å; D567-R675 IonicContact OD1-NH2 3.42Å; D567-R675 PolarHBondContact OD1-NH2 2.89Å; D567-R675 IonicContact OD2-NH2 3.2Å; D567-R675 PolarHBondContact OD2-NH2 3.06Å; D567-Y725 CarbonylContact O-C 3.58Å; D567-Y725 WeakPolarHBondContact O-CA 3.18Å; D567-R726 PolarHBondContact N-O 3.18Å; D567-R726 PolarHBondContact O-N 2.78Å; D567-N728 PolarHBondContact OD2-ND2 3.26Å
568	F	98.4	Very high	96.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.9	-177.5	177.1	-134.5	0	0	0	110.6	F517 F585 W670 L672 L708 L723 R724	F517-F568 HydrophobicContact CE2-CE2 4.17Å; F517-F568 HydrophobicContact CZ-CE2 4.11Å; F517-F568 HydrophobicContact CZ-CZ 4.19Å; F568-F585 HydrophobicContact CD1-CD2 4.01Å; F568-F585 HydrophobicContact CD1-CE2 4.41Å; F568-F585 HydrophobicContact CE1-CB 4.14Å; F568-F585 AromaticContact CE1-CD2 3.95Å; F568-F585 HydrophobicContact CE1-CD2 3.95Å; F568-F585 HydrophobicContact CE1-CG 4.22Å; F568-W670 AromaticContact CD1-NE1 3.95Å; F568-W670 HydrophobicContact CE1-CZ2 4.18Å; F568-W670 AromaticContact CE1-NE1 3.99Å; F568-W670 HydrophobicContact CZ-CZ2 4.01Å; F568-L672 HydrophobicContact CB-CB 4.28Å; F568-L672 HydrophobicContact CB-CD2 4.14Å; F568-L672 HydrophobicContact CD1-CD2 4.46Å; F568-L672 PolarHBondContact N-O 3.5Å; F568-L672 WeakPolarHBondContact O-CA 3.36Å; F568-L672 VanDerWaalsContact O-CB 3.31Å; F568-L672 WeakPolarHBondContact O-CB 3.42Å; F568-L672 PolarHBondContact O-N 2.79Å; F568-L708 HydrophobicContact CB-CD1 4Å; F568-L708 HydrophobicContact CB-CD2 4.39Å; F568-L708 HydrophobicContact CD1-CD1 4.28Å; F568-L708 HydrophobicContact CD1-CD2 4.17Å; F568-L708 HydrophobicContact CD2-CD1 3.91Å; F568-L708 HydrophobicContact CE2-CD1 4.45Å; F568-L708 HydrophobicContact CG-CD1 3.82Å; F568-L708 HydrophobicContact CG-CD2 4.36Å; F568-L723 HydrophobicContact CE2-CD2 4.08Å; F568-L723 HydrophobicContact CZ-CD2 3.97Å; F568-R724 WeakPolarHBondContact CA-O 3.26Å; F568-R724 WeakPolarHBondContact CD2-O 3.46Å
569	E	97.9	Very high	96	Very high	30 Å²	30	26.2 Å²	26.2	14%	0.14	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.7	-178.2	59.2	164.8	-171.4	0	0	111.8	R669 W670 F671 L723 R724	E569-R669 IonicContact OE1-NH2 3.26Å; E569-R669 PolarHBondContact OE1-NH2 3.15Å; E569-R669 IonicContact OE2-CZ 2.73Å; E569-R669 IonicContact OE2-NE 2.55Å; E569-R669 PolarHBondContact OE2-NE 2.73Å; E569-R669 IonicContact OE2-NH2 3.31Å; E569-R669 PolarHBondContact OE2-NH2 3.4Å; E569-W670 VanDerWaalsContact CA-O 3.29Å; E569-W670 WeakPolarHBondContact CA-O 3.38Å; E569-W670 WeakPolarHBondContact CB-O 3.33Å; E569-F671 HydrophobicContact CB-CD2 3.78Å; E569-F671 HydrophobicContact CB-CE2 4.49Å; E569-F671 HydrophobicContact CG-CD2 4.23Å; E569-L723 WeakPolarHBondContact O-CA 3.43Å; E569-R724 HydrophobicContact CG-CB 3.93Å; E569-R724 PolarHBondContact N-O 3.33Å; E569-R724 PolarHBondContact O-N 3.17Å; E569-R724 VanDerWaalsContact O-O 3.12Å
570	G	98	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	169.7	-179.4	0	0	0	0	0	111.4	R669 W670	G570-R669 WeakPolarHBondContact O-CA 3.42Å; G570-W670 VanDerWaalsContact C-CZ3 3.43Å; G570-W670 VanDerWaalsContact CA-CZ2 3.48Å; G570-W670 PolarHBondContact N-O 3.08Å; G570-W670 VanDerWaalsContact O-CD2 3.31Å; G570-W670 PolarHBondContact O-N 2.92Å
571	T	98.4	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.7	-177.9	-64.8	0	0	0	0	109.6	D253 I254 P278 Y668 R669 W720 A721	D253-T571 VanDerWaalsContact O-CG2 3.26Å; D253-T571 WeakPolarHBondContact O-CG2 3.37Å; I254-T571 HydrophobicContact CB-CG2 3.99Å; I254-T571 WeakPolarHBondContact O-CB 3.42Å; I254-T571 PolarHBondContact O-OG1 2.87Å; P278-T571 HydrophobicContact CG-CG2 4.34Å; T571-Y668 CarbonylContact C-O 3.58Å; T571-Y668 WeakPolarHBondContact CA-O 3.38Å; T571-R669 PolarHBondContact OG1-NH1 3.17Å; T571-R669 VanDerWaalsContact OG1-NH1 3.1Å; T571-W720 CarbonylContact O-C 3.55Å; T571-W720 VanDerWaalsContact O-CA 3.26Å; T571-W720 WeakPolarHBondContact O-CA 2.94Å; T571-A721 WeakPolarHBondContact CB-O 3.32Å; T571-A721 PolarHBondContact N-O 3.36Å; T571-A721 PolarHBondContact O-N 3Å
572	F	97.9	Very high	96.2	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.1	177.3	168.4	-109.5	0	0	0	109.8	V574 A583 W600 W662 Y668 W670 I718	F572-V574 HydrophobicContact CE1-CG2 4.35Å; F572-V574 HydrophobicContact CE2-CG2 3.82Å; F572-V574 HydrophobicContact CZ-CG2 3.5Å; F572-A583 HydrophobicContact CD2-CB 4.45Å; F572-A583 HydrophobicContact CE2-CB 3.45Å; F572-A583 VanDerWaalsContact CE2-CB 3.45Å; F572-A583 HydrophobicContact CZ-CB 3.99Å; F572-W600 AromaticContact CD1-CE3 3.88Å; F572-W600 HydrophobicContact CD1-CE3 3.88Å; F572-W600 HydrophobicContact CD1-CZ3 4.01Å; F572-W600 AromaticContact CE1-CE3 3.72Å; F572-W600 HydrophobicContact CE1-CE3 3.72Å; F572-W600 HydrophobicContact CE1-CZ3 4.08Å; F572-W662 HydrophobicContact CE1-CB 3.75Å; F572-W662 AromaticContact CE1-CG 3.91Å; F572-W662 HydrophobicContact CE1-CG 3.91Å; F572-W662 HydrophobicContact CZ-CB 4.4Å; F572-W662 AromaticContact CZ-CD1 3.98Å; F572-W662 HydrophobicContact CZ-CD2 4.47Å; F572-W662 HydrophobicContact CZ-CG 4.07Å; F572-Y668 AromaticContact CD1-CD2 3.81Å; F572-Y668 HydrophobicContact CD1-CD2 3.81Å; F572-Y668 HydrophobicContact CD1-CG 4.43Å; F572-Y668 HydrophobicContact CE1-CD2 4.23Å; F572-Y668 PolarHBondContact N-O 3.08Å; F572-Y668 PolarHBondContact O-N 3.42Å; F572-W670 HydrophobicContact CB-CE3 3.78Å; F572-W670 HydrophobicContact CB-CZ3 3.69Å; F572-I718 HydrophobicContact CD2-CG2 4.19Å; F572-I718 HydrophobicContact CE2-CG2 3.87Å
573	H	98.1	Very high	96.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.7	177.2	-176.2	109.9	0	0	0	110.3	T276 P278 N575 K665 S667 I719	T276-H573 PolarHBondContact O-CE1 2.86Å; P278-H573 WeakPolarHBondContact CD-ND1 3.35Å; P278-H573 HydrophobicContact CG-CB 3.63Å; H573-N575 PolarHBondContact CD2-N 2.72Å; H573-K665 VanDerWaalsContact CE1-C 3.41Å; H573-S667 PolarHBondContact ND1-OG 2.93Å; H573-I719 HydrophobicContact CB-CB 4.37Å; H573-I719 PolarHBondContact N-O 3.1Å; H573-I719 PolarHBondContact O-N 2.68Å
574	V	98.1	Very high	96.4	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.7	172.4	-178.9	0	0	0	0	107.9	F572 T576 W662 K665 Q715	F572-V574 HydrophobicContact CE1-CG2 4.35Å; F572-V574 HydrophobicContact CE2-CG2 3.82Å; F572-V574 HydrophobicContact CZ-CG2 3.5Å; V574-T576 HydrophobicContact CG1-CG2 3.82Å; V574-T576 PolarHBondContact O-N 2.93Å; V574-W662 HydrophobicContact CB-CE3 4.29Å; V574-W662 HydrophobicContact CB-CH2 4.45Å; V574-W662 HydrophobicContact CB-CZ3 4.05Å; V574-W662 HydrophobicContact CG1-CH2 4.09Å; V574-W662 HydrophobicContact CG1-CZ3 4.03Å; V574-W662 HydrophobicContact CG2-CD2 4.3Å; V574-W662 HydrophobicContact CG2-CE3 4.15Å; V574-W662 HydrophobicContact CG2-CH2 4.35Å; V574-W662 HydrophobicContact CG2-CZ2 4.44Å; V574-W662 HydrophobicContact CG2-CZ3 4.19Å; V574-K665 WeakPolarHBondContact O-CA 3.37Å; V574-K665 PolarHBondContact O-N 2.79Å; V574-Q715 HydrophobicContact CG1-CG 4.49Å
575	N	96.8	Very high	96.7	Very high	41 Å²	41	18.6 Å²	18.6	22%	0.219	11%	0.107	C	C	.	.			trans	-85.7	34.8	-172.1	-169.2	14.3	0	0	0	112.6	H573 K665 N717 I719	H573-N575 PolarHBondContact CD2-N 2.72Å; N575-K665 PolarHBondContact OD1-NZ 3.07Å; N575-N717 PolarHBondContact N-O 3.34Å; N575-I719 HydrophobicContact CB-CD1 3.88Å
576	T	94.8	Very high	96.9	Very high	18 Å²	18	18.5 Å²	18.5	11%	0.11	11%	0.106	C	C	.	.			trans	-143	168.3	175.7	-170.9	0	0	0	0	110.7	V574 T578 E716 N717	V574-T576 HydrophobicContact CG1-CG2 3.82Å; V574-T576 PolarHBondContact O-N 2.93Å; T576-T578 VanDerWaalsContact CG2-O 3.3Å; T576-T578 WeakPolarHBondContact CG2-O 3.26Å; T576-T578 WeakPolarHBondContact CG2-OG1 3.21Å; T576-T578 PolarHBondContact OG1-N 2.95Å; T576-T578 VanDerWaalsContact OG1-N 3.1Å; T576-T578 PolarHBondContact OG1-OG1 3.34Å; T576-E716 HydrophobicContact CG2-CG 4.29Å; T576-N717 HydrophobicContact CG2-CB 4.08Å
577	V	94.6	Very high	97	Very high	103 Å²	103	18.3 Å²	18.3	62%	0.624	11%	0.105	S	C	*	.	S	Bend	trans	-110.6	5.6	169.6	-60.1	0	0	0	0	110.9	D664	V577-D664 HydrophobicContact CG1-CB 4.01Å
578	T	93	Very high	97	Very high	62 Å²	62	17.4 Å²	17.4	38%	0.38	10%	0.1	S	C	.	.	S	Bend	trans	-95.5	145.8	177.3	53.4	0	0	0	0	109.8	T576 Q715 E716	T576-T578 VanDerWaalsContact CG2-O 3.3Å; T576-T578 WeakPolarHBondContact CG2-O 3.26Å; T576-T578 WeakPolarHBondContact CG2-OG1 3.21Å; T576-T578 PolarHBondContact OG1-N 2.95Å; T576-T578 VanDerWaalsContact OG1-N 3.1Å; T576-T578 PolarHBondContact OG1-OG1 3.34Å; T578-Q715 PolarHBondContact O-NE2 3.12Å; T578-E716 WeakPolarHBondContact CB-OE1 3.07Å; T578-E716 PolarHBondContact OG1-OE1 3.16Å
579	D	91.8	Very high	97	Very high	52 Å²	52	17.4 Å²	17.4	28%	0.278	10%	0.101	S	C	.	.			trans	64.7	169.3	-176	-131.7	-42.3	0	0	0	114.8	N551	N551-D579 PolarHBondContact ND2-OD2 2.89Å
580	D	94.6	Very high	96.9	Very high	35 Å²	35	16.6 Å²	16.6	19%	0.187	10%	0.097	C	C	.	.			trans	-145.3	20.9	-176.8	67.5	33.4	0	0	0	113.8	K601 Q602 V603	D580-K601 WeakPolarHBondContact O-CG 3.17Å; D580-K601 PolarHBondContact O-NZ 2.98Å; D580-K601 IonicContact OD1-NZ 2.72Å; D580-K601 PolarHBondContact OD1-NZ 2.63Å; D580-Q602 HydrophobicContact CB-CB 4.02Å; D580-Q602 HydrophobicContact CB-CG 4.4Å; D580-Q602 PolarHBondContact O-N 3.43Å; D580-Q602 VanDerWaalsContact O-N 3.14Å; D580-V603 HydrophobicContact CB-CB 4.05Å; D580-V603 HydrophobicContact CB-CG2 3.87Å; D580-V603 WeakPolarHBondContact OD2-CB 3.4Å
581	D	96.3	Very high	96.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.011	10%	0.1	C	C	.	.			trans	-91.8	-160.9	-163.1	-82.5	-21.2	0	0	0	113.6	K601 Q605 W641 W662 S714 Q715	D581-K601 IonicContact OD1-NZ 3.79Å; D581-K601 PolarHBondContact OD1-NZ 2.73Å; D581-Q605 PolarHBondContact OD1-NE2 3.13Å; D581-W641 WeakPolarHBondContact OD1-CH2 3.34Å; D581-W662 WeakPolarHBondContact O-CZ2 3.46Å; D581-W662 PolarHBondContact O-NE1 2.86Å; D581-S714 WeakPolarHBondContact CB-O 3.27Å; D581-S714 WeakPolarHBondContact OD2-CB 3.16Å; D581-S714 VanDerWaalsContact OD2-O 3.08Å; D581-S714 PolarHBondContact OD2-OG 3.1Å; D581-Q715 HydrophobicContact CB-CB 4.1Å; D581-Q715 VanDerWaalsContact N-OE1 3.14Å
582	Y	97.7	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.4	-165.5	-84.1	-69.6	0	0	0	112.4	M599 K601 A617 Q622 W641 F713	Y582-M599 HydrophobicContact CD1-CB 3.9Å; Y582-M599 HydrophobicContact CD1-CG 4Å; Y582-M599 HydrophobicContact CD1-SD 4.03Å; Y582-M599 HydrophobicContact CE1-CB 4.28Å; Y582-M599 HydrophobicContact CE1-CG 3.85Å; Y582-M599 HydrophobicContact CE1-SD 3.72Å; Y582-K601 HydrophobicContact CD1-CB 3.7Å; Y582-K601 HydrophobicContact CD2-CD 4.18Å; Y582-K601 HydrophobicContact CE1-CB 3.56Å; Y582-K601 HydrophobicContact CE2-CB 4.43Å; Y582-K601 HydrophobicContact CE2-CD 3.91Å; Y582-K601 HydrophobicContact CG-CB 4.2Å; Y582-A617 HydrophobicContact CE2-CB 3.66Å; Y582-A617 VanDerWaalsContact OH-CB 3.24Å; Y582-A617 WeakPolarHBondContact OH-CB 3.07Å; Y582-Q622 PolarHBondContact OH-NE2 2.75Å; Y582-W641 HydrophobicContact CD2-CD2 4.36Å; Y582-W641 HydrophobicContact CD2-CE3 4.07Å; Y582-W641 HydrophobicContact CD2-CZ3 4.39Å; Y582-W641 HydrophobicContact CE2-CD2 4.1Å; Y582-W641 HydrophobicContact CE2-CE3 4.27Å; Y582-W641 HydrophobicContact CE2-CG 4.27Å; Y582-W641 PolarHBondContact OH-O 3.46Å; Y582-F713 PolarHBondContact N-O 3.32Å; Y582-F713 VanDerWaalsContact N-O 3.17Å; Y582-F713 PolarHBondContact O-N 2.78Å
583	A	98.1	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161.2	166.1	0	0	0	0	0	110	F572 M599 W600 F711 I718 W720	F572-A583 HydrophobicContact CD2-CB 4.45Å; F572-A583 HydrophobicContact CE2-CB 3.45Å; F572-A583 VanDerWaalsContact CE2-CB 3.45Å; F572-A583 HydrophobicContact CZ-CB 3.99Å; A583-M599 WeakPolarHBondContact O-CA 3.29Å; A583-W600 PolarHBondContact N-O 2.87Å; A583-W600 PolarHBondContact O-N 2.97Å; A583-F711 CarbonylContact C-O 3.58Å; A583-F711 WeakPolarHBondContact CA-O 3.45Å; A583-I718 HydrophobicContact CB-CD1 3.6Å; A583-I718 HydrophobicContact CB-CG1 4.07Å; A583-I718 HydrophobicContact CB-CG2 4.03Å; A583-W720 HydrophobicContact CB-CZ2 4.46Å
584	G	98.1	Very high	96.7	Very high	8 Å²	8	17.7 Å²	17.7	8%	0.082	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-154.3	-179.5	0	0	0	0	0	113.5	V598 F711 W720	G584-V598 CarbonylContact C-O 3.57Å; G584-V598 WeakPolarHBondContact CA-O 3.21Å; G584-F711 PolarHBondContact N-O 3.42Å; G584-F711 PolarHBondContact O-N 3.11Å; G584-W720 PolarHBondContact O-NE1 2.91Å
585	F	98.8	Very high	96.7	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.013	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.2	-179.7	65.1	-91.6	0	0	0	110.7	F568 F587 V598 W670 L672 V683 F685 G709	F568-F585 HydrophobicContact CD1-CD2 4.01Å; F568-F585 HydrophobicContact CD1-CE2 4.41Å; F568-F585 HydrophobicContact CE1-CB 4.14Å; F568-F585 AromaticContact CE1-CD2 3.95Å; F568-F585 HydrophobicContact CE1-CD2 3.95Å; F568-F585 HydrophobicContact CE1-CG 4.22Å; F585-F587 HydrophobicContact CE2-CD1 4.23Å; F585-V598 HydrophobicContact CD1-CB 4.22Å; F585-V598 HydrophobicContact CD2-CB 4.48Å; F585-V598 HydrophobicContact CE1-CB 3.77Å; F585-V598 HydrophobicContact CE1-CG1 3.95Å; F585-V598 HydrophobicContact CE1-CG2 4.21Å; F585-V598 HydrophobicContact CE2-CB 4.06Å; F585-V598 HydrophobicContact CE2-CG2 3.77Å; F585-V598 HydrophobicContact CZ-CB 3.69Å; F585-V598 HydrophobicContact CZ-CG1 4.12Å; F585-V598 HydrophobicContact CZ-CG2 3.59Å; F585-V598 PolarHBondContact N-O 2.83Å; F585-V598 PolarHBondContact O-N 3.25Å; F585-W670 HydrophobicContact CB-CZ2 4.48Å; F585-W670 AromaticContact CD1-CD1 3.92Å; F585-W670 AromaticContact CD1-CD2 3.69Å; F585-W670 HydrophobicContact CD1-CD2 3.69Å; F585-W670 AromaticContact CD1-CE2 3.68Å; F585-W670 HydrophobicContact CD1-CE3 4.25Å; F585-W670 AromaticContact CD1-CG 3.87Å; F585-W670 HydrophobicContact CD1-CG 3.87Å; F585-W670 HydrophobicContact CD1-CZ2 4.27Å; F585-W670 AromaticContact CD1-NE1 3.79Å; F585-W670 HydrophobicContact CE1-CB 3.82Å; F585-W670 AromaticContact CE1-CD1 3.37Å; F585-W670 AromaticContact CE1-CD2 3.69Å; F585-W670 HydrophobicContact CE1-CD2 3.69Å; F585-W670 AromaticContact CE1-CE2 3.95Å; F585-W670 HydrophobicContact CE1-CE3 4.47Å; F585-W670 AromaticContact CE1-CG 3.33Å; F585-W670 HydrophobicContact CE1-CG 3.33Å; F585-W670 AromaticContact CE1-NE1 3.72Å; F585-W670 HydrophobicContact CG-CZ2 4.45Å; F585-W670 HydrophobicContact CZ-CB 4.37Å; F585-W670 AromaticContact CZ-CD1 3.49Å; F585-W670 VanDerWaalsContact CZ-CD1 3.49Å; F585-W670 AromaticContact CZ-CG 3.9Å; F585-W670 HydrophobicContact CZ-CG 3.9Å; F585-W670 AromaticContact CZ-NE1 3.93Å; F585-L672 HydrophobicContact CE2-CB 4.1Å; F585-L672 HydrophobicContact CE2-CD2 4.12Å; F585-L672 HydrophobicContact CZ-CB 4.35Å; F585-V683 HydrophobicContact CZ-CG1 3.96Å; F585-F685 HydrophobicContact CE1-CZ 4.07Å; F585-G709 WeakPolarHBondContact CA-O 3.14Å; F585-G709 WeakPolarHBondContact CB-O 3.1Å
586	I	98.8	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.9	178	65.7	170	0	0	0	111	L556 V558 Y589 F595 Y596 V597 G709 F711	L556-I586 HydrophobicContact CB-CD1 4.31Å; L556-I586 HydrophobicContact CD1-CD1 3.96Å; L556-I586 HydrophobicContact CD2-CD1 4.16Å; L556-I586 HydrophobicContact CD2-CG2 3.68Å; L556-I586 HydrophobicContact CG-CD1 4.38Å; V558-I586 HydrophobicContact CG1-CD1 4.28Å; V558-I586 HydrophobicContact CG2-CD1 3.65Å; I586-Y589 HydrophobicContact CD1-CD2 3.68Å; I586-Y589 HydrophobicContact CD1-CG 4.03Å; I586-F595 HydrophobicContact CB-CD2 4.34Å; I586-F595 HydrophobicContact CG2-CD2 3.84Å; I586-F595 HydrophobicContact CG2-CE2 4.09Å; I586-Y596 VanDerWaalsContact CA-O 3.22Å; I586-Y596 WeakPolarHBondContact CA-O 3.22Å; I586-Y596 WeakPolarHBondContact CB-O 3.27Å; I586-V597 HydrophobicContact CG2-CB 4Å; I586-V597 HydrophobicContact CG2-CG2 3.99Å; I586-G709 PolarHBondContact N-O 2.7Å; I586-G709 PolarHBondContact O-N 2.92Å; I586-F711 HydrophobicContact CG2-CB 4.1Å
587	F	98.7	Very high	97	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.5	171.8	65	-83.6	0	0	0	110.2	F585 Y589 Y596 V598 L623 L672 H674 I681 R707 L708	F585-F587 HydrophobicContact CE2-CD1 4.23Å; F587-Y589 PolarHBondContact O-N 2.7Å; F587-Y596 AromaticContact CD2-CD2 3.76Å; F587-Y596 HydrophobicContact CD2-CD2 3.76Å; F587-Y596 HydrophobicContact CD2-CG 4.18Å; F587-Y596 VanDerWaalsContact CE1-CB 3.43Å; F587-Y596 HydrophobicContact CE1-CG 4.31Å; F587-Y596 HydrophobicContact CE2-CD1 4.46Å; F587-Y596 AromaticContact CE2-CD2 3.39Å; F587-Y596 HydrophobicContact CE2-CD2 3.39Å; F587-Y596 HydrophobicContact CE2-CE2 4.16Å; F587-Y596 AromaticContact CE2-CG 3.57Å; F587-Y596 HydrophobicContact CE2-CG 3.57Å; F587-Y596 HydrophobicContact CZ-CD1 4.34Å; F587-Y596 AromaticContact CZ-CD2 4Å; F587-Y596 HydrophobicContact CZ-CD2 4Å; F587-Y596 AromaticContact CZ-CG 3.65Å; F587-Y596 HydrophobicContact CZ-CG 3.65Å; F587-Y596 PolarHBondContact N-O 2.79Å; F587-Y596 WeakPolarHBondContact O-CB 3.36Å; F587-Y596 PolarHBondContact O-N 3.18Å; F587-V598 HydrophobicContact CE1-CG2 4.05Å; F587-L623 HydrophobicContact CE1-CD1 3.74Å; F587-L623 HydrophobicContact CZ-CD1 3.81Å; F587-L672 HydrophobicContact CB-CD2 3.46Å; F587-L672 VanDerWaalsContact CB-CD2 3.46Å; F587-L672 HydrophobicContact CD1-CD1 4.09Å; F587-L672 HydrophobicContact CD1-CD2 3.55Å; F587-L672 HydrophobicContact CD1-CG 4.49Å; F587-L672 HydrophobicContact CD2-CD1 4.34Å; F587-L672 HydrophobicContact CD2-CD2 3.85Å; F587-L672 HydrophobicContact CE1-CD1 3.88Å; F587-L672 HydrophobicContact CE1-CD2 4.21Å; F587-L672 HydrophobicContact CE2-CD1 4.14Å; F587-L672 HydrophobicContact CE2-CD2 4.46Å; F587-L672 HydrophobicContact CG-CD1 4.31Å; F587-L672 HydrophobicContact CG-CD2 3.34Å; F587-L672 HydrophobicContact CG-CG 4.48Å; F587-L672 HydrophobicContact CZ-CD1 3.9Å; F587-H674 HydrophobicContact CD2-CB 4.2Å; F587-H674 AromaticContact CD2-CG 3.85Å; F587-H674 AromaticContact CD2-ND1 3.72Å; F587-H674 HydrophobicContact CE2-CB 4.35Å; F587-H674 AromaticContact CE2-CD2 3.99Å; F587-H674 AromaticContact CE2-CG 3.92Å; F587-I681 HydrophobicContact CE2-CD1 4.13Å; F587-I681 HydrophobicContact CE2-CG1 4.17Å; F587-I681 HydrophobicContact CE2-CG2 4.27Å; F587-I681 HydrophobicContact CZ-CD1 4.22Å; F587-I681 HydrophobicContact CZ-CG1 4.4Å; F587-I681 HydrophobicContact CZ-CG2 3.8Å; F587-R707 CarbonylContact C-O 3.36Å; F587-L708 HydrophobicContact CB-CD2 3.58Å
588	G	97.9	Very high	97.2	Very high	2 Å²	2	10 Å²	10	2%	0.021	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.6	39.1	-174.3	0	0	0	0	0	111.8	Q590 G705 R707	G588-Q590 PolarHBondContact O-N 3.07Å; G588-G705 CarbonylContact C-O 3.42Å; G588-G705 WeakPolarHBondContact CA-O 3.48Å; G588-R707 PolarHBondContact N-O 3.11Å; G588-R707 VanDerWaalsContact N-O 3.07Å
589	Y	98.5	Very high	97.4	Very high	1 Å²	1	7.1 Å²	7.1	0%	0.004	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.1	174	-179.8	-81.1	0	0	0	109.1	N405 V523 L556 V558 I586 F587 D591 S592 F595 G706 R707	N405-Y589 PolarHBondContact O-OH 3.41Å; V523-Y589 HydrophobicContact CG2-CE2 4.42Å; V523-Y589 WeakPolarHBondContact CG2-OH 3.28Å; L556-Y589 HydrophobicContact CD1-CD2 4.03Å; L556-Y589 HydrophobicContact CD1-CE2 3.68Å; V558-Y589 HydrophobicContact CG1-CD1 3.77Å; V558-Y589 HydrophobicContact CG1-CE1 4.38Å; V558-Y589 HydrophobicContact CG1-CG 3.89Å; V558-Y589 HydrophobicContact CG2-CD2 4.26Å; V558-Y589 HydrophobicContact CG2-CE2 4.29Å; V558-Y589 HydrophobicContact CG2-CG 4.37Å; I586-Y589 HydrophobicContact CD1-CD2 3.68Å; I586-Y589 HydrophobicContact CD1-CG 4.03Å; F587-Y589 PolarHBondContact O-N 2.7Å; Y589-D591 WeakPolarHBondContact CE2-O 3.25Å; Y589-D591 VanDerWaalsContact CZ-C 3.44Å; Y589-S592 PolarHBondContact OH-N 2.94Å; Y589-S592 VanDerWaalsContact OH-N 3.13Å; Y589-F595 HydrophobicContact CD2-CB 3.76Å; Y589-F595 HydrophobicContact CD2-CD1 4.05Å; Y589-F595 HydrophobicContact CD2-CG 4.01Å; Y589-F595 HydrophobicContact CE2-CD1 4.21Å; Y589-F595 HydrophobicContact CG-CB 4.31Å; Y589-G706 WeakPolarHBondContact O-CA 3.23Å; Y589-R707 PolarHBondContact N-O 3.06Å; Y589-R707 PolarHBondContact O-N 3.24Å
590	Q	97	Very high	97.7	Very high	13 Å²	13	5 Å²	5	6%	0.061	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-55.8	175	-59.7	175.6	-33.3	0	0	107.7	G420 D421 G422 G588 S594 M703	G420-Q590 PolarHBondContact O-NE2 3.02Å; D421-Q590 PolarHBondContact O-NE2 3.19Å; G422-Q590 VanDerWaalsContact CA-CD 3.42Å; G422-Q590 VanDerWaalsContact N-NE2 3.1Å; G588-Q590 PolarHBondContact O-N 3.07Å; Q590-S594 PolarHBondContact N-O 3.49Å; Q590-M703 HydrophobicContact CG-CG 4.4Å
591	D	96.4	Very high	97.8	Very high	14 Å²	14	3.4 Å²	3.4	8%	0.075	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	170.2	178.9	66.6	66	0	0	0	110	D404 D406 Y589 S593 S594	D404-D591 HydrophobicContact CB-CB 4.33Å; D406-D591 HydrophobicContact CB-CB 3.71Å; Y589-D591 WeakPolarHBondContact CE2-O 3.25Å; Y589-D591 VanDerWaalsContact CZ-C 3.44Å; D591-S593 PolarHBondContact O-N 2.96Å; D591-S593 VanDerWaalsContact O-N 3.07Å; D591-S593 WeakPolarHBondContact OD1-CA 3.41Å; D591-S593 WeakPolarHBondContact OD1-CB 3.37Å; D591-S593 PolarHBondContact OD1-N 2.89Å; D591-S594 VanDerWaalsContact CG-OG 3.23Å; D591-S594 CarbonylContact O-C 3.54Å; D591-S594 PolarHBondContact O-N 3.38Å; D591-S594 WeakPolarHBondContact OD1-CB 3.49Å; D591-S594 PolarHBondContact OD1-N 2.81Å; D591-S594 PolarHBondContact OD1-OG 3.15Å; D591-S594 WeakPolarHBondContact OD2-CB 3.16Å; D591-S594 PolarHBondContact OD2-OG 2.95Å
592	S	96.3	Very high	97.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-6.7	-180	65	0	0	0	0	114.8	D404 Y589 F595 P632 L636	D404-S592 WeakPolarHBondContact CA-OG 3.23Å; D404-S592 WeakPolarHBondContact O-CB 3.1Å; D404-S592 PolarHBondContact O-N 2.82Å; D404-S592 PolarHBondContact O-OG 3.36Å; Y589-S592 PolarHBondContact OH-N 2.94Å; Y589-S592 VanDerWaalsContact OH-N 3.13Å; S592-F595 WeakPolarHBondContact O-CE1 3.39Å; S592-P632 VanDerWaalsContact OG-CD 3.26Å; S592-P632 WeakPolarHBondContact OG-CD 3.1Å; S592-P632 WeakPolarHBondContact OG-CG 3.5Å; S592-L636 WeakPolarHBondContact O-CD2 3.3Å
593	S	96.6	Very high	97.8	Very high	13 Å²	13	8.3 Å²	8.3	9%	0.091	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-12.3	171.5	-52.8	0	0	0	0	112.8	D591 V626 K627 S628 G631	D591-S593 PolarHBondContact O-N 2.96Å; D591-S593 VanDerWaalsContact O-N 3.07Å; D591-S593 WeakPolarHBondContact OD1-CA 3.41Å; D591-S593 WeakPolarHBondContact OD1-CB 3.37Å; D591-S593 PolarHBondContact OD1-N 2.89Å; S593-V626 CarbonylContact O-C 3.53Å; S593-V626 VanDerWaalsContact O-C 3.32Å; S593-K627 CarbonylContact O-C 3.45Å; S593-K627 WeakPolarHBondContact O-CA 3.48Å; S593-K627 PolarHBondContact O-N 2.85Å; S593-S628 WeakPolarHBondContact CB-O 3.33Å; S593-S628 PolarHBondContact O-N 2.84Å; S593-G631 WeakPolarHBondContact OG-CA 3.38Å
594	S	97.4	Very high	97.6	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.021	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	92.8	-169.1	-49.8	0	0	0	0	111.6	Q590 D591 V626 K627	Q590-S594 PolarHBondContact N-O 3.49Å; D591-S594 VanDerWaalsContact CG-OG 3.23Å; D591-S594 CarbonylContact O-C 3.54Å; D591-S594 PolarHBondContact O-N 3.38Å; D591-S594 WeakPolarHBondContact OD1-CB 3.49Å; D591-S594 PolarHBondContact OD1-N 2.81Å; D591-S594 PolarHBondContact OD1-OG 3.15Å; D591-S594 WeakPolarHBondContact OD2-CB 3.16Å; D591-S594 PolarHBondContact OD2-OG 2.95Å; S594-V626 WeakPolarHBondContact CA-O 3.49Å; S594-K627 WeakPolarHBondContact OG-CD 3.4Å; S594-K627 PolarHBondContact OG-NZ 2.96Å
595	F	98.6	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	156.4	177.5	59.9	-86.6	0	0	0	112.2	L525 L556 I586 Y589 S592 V597 V626 L640 M703	L525-F595 HydrophobicContact CD1-CZ 4.26Å; L525-F595 HydrophobicContact CD2-CE1 4.38Å; L525-F595 HydrophobicContact CD2-CZ 4.4Å; L556-F595 HydrophobicContact CD1-CE1 4.39Å; L556-F595 HydrophobicContact CD1-CE2 4.47Å; L556-F595 HydrophobicContact CD1-CZ 4.25Å; I586-F595 HydrophobicContact CB-CD2 4.34Å; I586-F595 HydrophobicContact CG2-CD2 3.84Å; I586-F595 HydrophobicContact CG2-CE2 4.09Å; Y589-F595 HydrophobicContact CD2-CB 3.76Å; Y589-F595 HydrophobicContact CD2-CD1 4.05Å; Y589-F595 HydrophobicContact CD2-CG 4.01Å; Y589-F595 HydrophobicContact CE2-CD1 4.21Å; Y589-F595 HydrophobicContact CG-CB 4.31Å; S592-F595 WeakPolarHBondContact O-CE1 3.39Å; F595-V597 HydrophobicContact CD2-CB 4.1Å; F595-V597 HydrophobicContact CE2-CB 3.94Å; F595-V597 HydrophobicContact CE2-CG1 4.16Å; F595-V626 HydrophobicContact CD1-CB 4.06Å; F595-V626 HydrophobicContact CD1-CG1 4.22Å; F595-V626 HydrophobicContact CD2-CB 4.31Å; F595-V626 HydrophobicContact CD2-CG2 4Å; F595-V626 HydrophobicContact CE1-CB 3.94Å; F595-V626 HydrophobicContact CE1-CG1 3.75Å; F595-V626 HydrophobicContact CE1-CG2 4.16Å; F595-V626 HydrophobicContact CE2-CB 4.21Å; F595-V626 HydrophobicContact CE2-CG2 3.62Å; F595-V626 HydrophobicContact CG-CB 4.24Å; F595-V626 HydrophobicContact CG-CG2 4.44Å; F595-V626 HydrophobicContact CZ-CB 4.03Å; F595-V626 HydrophobicContact CZ-CG1 4.02Å; F595-V626 HydrophobicContact CZ-CG2 3.71Å; F595-V626 PolarHBondContact N-O 2.88Å; F595-V626 VanDerWaalsContact N-O 3.15Å; F595-V626 WeakPolarHBondContact O-CA 3.3Å; F595-V626 VanDerWaalsContact O-CB 3.31Å; F595-V626 WeakPolarHBondContact O-CB 3.31Å; F595-V626 PolarHBondContact O-N 3.29Å; F595-L640 HydrophobicContact CZ-CD2 4.43Å; F595-M703 VanDerWaalsContact O-CE 3.3Å; F595-M703 WeakPolarHBondContact O-CE 3.37Å
596	Y	98.8	Very high	97.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.1	166.4	-59.1	-80.3	0	0	0	109.7	I586 F587 K624 A625 L653 H674 I681 D700 T702 M703	I586-Y596 VanDerWaalsContact CA-O 3.22Å; I586-Y596 WeakPolarHBondContact CA-O 3.22Å; I586-Y596 WeakPolarHBondContact CB-O 3.27Å; F587-Y596 AromaticContact CD2-CD2 3.76Å; F587-Y596 HydrophobicContact CD2-CD2 3.76Å; F587-Y596 HydrophobicContact CD2-CG 4.18Å; F587-Y596 VanDerWaalsContact CE1-CB 3.43Å; F587-Y596 HydrophobicContact CE1-CG 4.31Å; F587-Y596 HydrophobicContact CE2-CD1 4.46Å; F587-Y596 AromaticContact CE2-CD2 3.39Å; F587-Y596 HydrophobicContact CE2-CD2 3.39Å; F587-Y596 HydrophobicContact CE2-CE2 4.16Å; F587-Y596 AromaticContact CE2-CG 3.57Å; F587-Y596 HydrophobicContact CE2-CG 3.57Å; F587-Y596 HydrophobicContact CZ-CD1 4.34Å; F587-Y596 AromaticContact CZ-CD2 4Å; F587-Y596 HydrophobicContact CZ-CD2 4Å; F587-Y596 AromaticContact CZ-CG 3.65Å; F587-Y596 HydrophobicContact CZ-CG 3.65Å; F587-Y596 PolarHBondContact N-O 2.79Å; F587-Y596 WeakPolarHBondContact O-CB 3.36Å; F587-Y596 PolarHBondContact O-N 3.18Å; Y596-K624 WeakPolarHBondContact CA-O 3.4Å; Y596-A625 HydrophobicContact CD1-CB 3.78Å; Y596-A625 HydrophobicContact CE1-CB 3.78Å; Y596-L653 HydrophobicContact CD1-CD1 3.96Å; Y596-L653 HydrophobicContact CE1-CD1 3.93Å; Y596-H674 AromaticContact CE2-NE2 3.89Å; Y596-I681 HydrophobicContact CD1-CD1 4.15Å; Y596-I681 HydrophobicContact CE1-CD1 3.79Å; Y596-I681 HydrophobicContact CE2-CD1 4.29Å; Y596-D700 HydrophobicContact CE1-CB 4.21Å; Y596-D700 PolarHBondContact OH-O 3.5Å; Y596-D700 PolarHBondContact OH-OD1 2.55Å; Y596-T702 PolarHBondContact OH-N 2.87Å; Y596-T702 VanDerWaalsContact OH-N 3.12Å; Y596-M703 HydrophobicContact CD1-CE 3.42Å; Y596-M703 VanDerWaalsContact CD1-CE 3.42Å; Y596-M703 HydrophobicContact CD2-CB 4.24Å; Y596-M703 HydrophobicContact CD2-CE 3.44Å; Y596-M703 VanDerWaalsContact CD2-CE 3.44Å; Y596-M703 HydrophobicContact CE1-CE 3.43Å; Y596-M703 VanDerWaalsContact CE1-CE 3.43Å; Y596-M703 HydrophobicContact CE2-CB 3.67Å; Y596-M703 HydrophobicContact CE2-CE 3.48Å; Y596-M703 VanDerWaalsContact CE2-CE 3.48Å; Y596-M703 WeakPolarHBondContact CE2-O 3.48Å; Y596-M703 HydrophobicContact CG-CE 3.42Å; Y596-M703 VanDerWaalsContact CG-CE 3.42Å; Y596-M703 VanDerWaalsContact CZ-CE 3.46Å; Y596-M703 PolarHBondContact OH-N 3.28Å; Y596-M703 VanDerWaalsContact OH-N 3.15Å; Y596-M703 PolarHBondContact OH-O 3.37Å
597	V	98.8	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.5	177.6	57.2	0	0	0	0	110.3	I586 F595 M599 K624 V626 L640 F711	I586-V597 HydrophobicContact CG2-CB 4Å; I586-V597 HydrophobicContact CG2-CG2 3.99Å; F595-V597 HydrophobicContact CD2-CB 4.1Å; F595-V597 HydrophobicContact CE2-CB 3.94Å; F595-V597 HydrophobicContact CE2-CG1 4.16Å; V597-M599 HydrophobicContact CB-CE 4.25Å; V597-M599 HydrophobicContact CG1-CE 3.43Å; V597-M599 VanDerWaalsContact CG1-CE 3.43Å; V597-M599 HydrophobicContact CG2-CB 4.27Å; V597-M599 HydrophobicContact CG2-CE 3.76Å; V597-K624 HydrophobicContact CG1-CB 3.91Å; V597-K624 PolarHBondContact N-O 3.11Å; V597-K624 PolarHBondContact O-N 2.92Å; V597-V626 HydrophobicContact CG1-CG2 3.95Å; V597-L640 HydrophobicContact CG1-CD2 4.27Å; V597-F711 HydrophobicContact CG2-CB 4.38Å; V597-F711 HydrophobicContact CG2-CD1 3.88Å; V597-F711 HydrophobicContact CG2-CE1 4.31Å; V597-F711 HydrophobicContact CG2-CG 4.06Å
598	V	98.8	Very high	96.4	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.9	165	-176.2	0	0	0	0	107	G584 F585 F587 I621 Q622 L623 V683 F685	G584-V598 CarbonylContact C-O 3.57Å; G584-V598 WeakPolarHBondContact CA-O 3.21Å; F585-V598 HydrophobicContact CD1-CB 4.22Å; F585-V598 HydrophobicContact CD2-CB 4.48Å; F585-V598 HydrophobicContact CE1-CB 3.77Å; F585-V598 HydrophobicContact CE1-CG1 3.95Å; F585-V598 HydrophobicContact CE1-CG2 4.21Å; F585-V598 HydrophobicContact CE2-CB 4.06Å; F585-V598 HydrophobicContact CE2-CG2 3.77Å; F585-V598 HydrophobicContact CZ-CB 3.69Å; F585-V598 HydrophobicContact CZ-CG1 4.12Å; F585-V598 HydrophobicContact CZ-CG2 3.59Å; F585-V598 PolarHBondContact N-O 2.83Å; F585-V598 PolarHBondContact O-N 3.25Å; F587-V598 HydrophobicContact CE1-CG2 4.05Å; V598-I621 HydrophobicContact CG1-CG2 3.76Å; V598-Q622 CarbonylContact C-O 3.56Å; V598-Q622 VanDerWaalsContact CA-O 3.32Å; V598-Q622 WeakPolarHBondContact CA-O 3.11Å; V598-L623 HydrophobicContact CG2-CD1 3.69Å; V598-V683 HydrophobicContact CG2-CG1 4.48Å; V598-V683 HydrophobicContact CG2-CG2 4.08Å; V598-F685 HydrophobicContact CG1-CE2 3.93Å; V598-F685 HydrophobicContact CG1-CZ 3.64Å
599	M	98.2	Very high	96	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.5	-177.3	62.8	179.5	70.7	0	0	110.9	Y582 A583 V597 Q622 K624 L640 F711	Y582-M599 HydrophobicContact CD1-CB 3.9Å; Y582-M599 HydrophobicContact CD1-CG 4Å; Y582-M599 HydrophobicContact CD1-SD 4.03Å; Y582-M599 HydrophobicContact CE1-CB 4.28Å; Y582-M599 HydrophobicContact CE1-CG 3.85Å; Y582-M599 HydrophobicContact CE1-SD 3.72Å; A583-M599 WeakPolarHBondContact O-CA 3.29Å; V597-M599 HydrophobicContact CB-CE 4.25Å; V597-M599 HydrophobicContact CG1-CE 3.43Å; V597-M599 VanDerWaalsContact CG1-CE 3.43Å; V597-M599 HydrophobicContact CG2-CB 4.27Å; V597-M599 HydrophobicContact CG2-CE 3.76Å; M599-Q622 HydrophobicContact CG-CB 3.96Å; M599-Q622 PolarHBondContact N-O 2.59Å; M599-Q622 PolarHBondContact O-N 2.72Å; M599-K624 HydrophobicContact CE-CD 3.81Å; M599-K624 HydrophobicContact CE-CG 4.45Å; M599-K624 HydrophobicContact SD-CD 4.06Å; M599-K624 VanDerWaalsContact SD-CE 3.53Å; M599-K624 PolarHBondContact SD-NZ 3.23Å; M599-K624 VanDerWaalsContact SD-NZ 3.37Å; M599-L640 HydrophobicContact CE-CD2 3.98Å; M599-L640 VanDerWaalsContact SD-O 3.36Å; M599-F711 HydrophobicContact CB-CD1 4.13Å; M599-F711 HydrophobicContact CB-CE1 3.86Å; M599-F711 HydrophobicContact CE-CE1 4.19Å; M599-F711 HydrophobicContact CE-CZ 4.42Å
600	W	98.3	Very high	95.5	Very high	8 Å²	8	31.2 Å²	31.2	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	125	-178	-163.4	5.3	0	0	0	110.8	F572 A583 I621 V660 W662 Y668 F685	F572-W600 AromaticContact CD1-CE3 3.88Å; F572-W600 HydrophobicContact CD1-CE3 3.88Å; F572-W600 HydrophobicContact CD1-CZ3 4.01Å; F572-W600 AromaticContact CE1-CE3 3.72Å; F572-W600 HydrophobicContact CE1-CE3 3.72Å; F572-W600 HydrophobicContact CE1-CZ3 4.08Å; A583-W600 PolarHBondContact N-O 2.87Å; A583-W600 PolarHBondContact O-N 2.97Å; W600-I621 HydrophobicContact CB-CG1 4.28Å; W600-I621 HydrophobicContact CD2-CD1 4.27Å; W600-I621 HydrophobicContact CD2-CG1 3.52Å; W600-I621 HydrophobicContact CE3-CD1 4.44Å; W600-I621 HydrophobicContact CE3-CG1 4.05Å; W600-I621 HydrophobicContact CG-CG1 3.64Å; W600-I621 HydrophobicContact CH2-CD1 4.47Å; W600-I621 HydrophobicContact CZ2-CD1 4.31Å; W600-I621 HydrophobicContact CZ2-CG1 4.25Å; W600-V660 PolarHBondContact NE1-O 3.17Å; W600-W662 HydrophobicContact CD2-CB 3.84Å; W600-W662 AromaticContact CD2-CD1 3.97Å; W600-W662 HydrophobicContact CD2-CG 4.35Å; W600-W662 VanDerWaalsContact CE2-N 3.34Å; W600-W662 HydrophobicContact CE3-CB 3.9Å; W600-W662 HydrophobicContact CG-CB 4.5Å; W600-W662 AromaticContact CG-CD1 3.75Å; W600-W662 HydrophobicContact CH2-CB 4.02Å; W600-W662 HydrophobicContact CZ2-CB 3.96Å; W600-W662 HydrophobicContact CZ3-CB 3.98Å; W600-W662 PolarHBondContact O-NE1 2.89Å; W600-W662 VanDerWaalsContact O-NE1 3.08Å; W600-Y668 AromaticContact CH2-CD1 3.62Å; W600-Y668 HydrophobicContact CH2-CD1 3.62Å; W600-Y668 HydrophobicContact CH2-CD2 4.02Å; W600-Y668 AromaticContact CH2-CE1 3.53Å; W600-Y668 HydrophobicContact CH2-CE1 3.53Å; W600-Y668 AromaticContact CH2-CE2 3.93Å; W600-Y668 HydrophobicContact CH2-CE2 3.93Å; W600-Y668 AromaticContact CH2-CG 3.85Å; W600-Y668 HydrophobicContact CH2-CG 3.85Å; W600-Y668 AromaticContact CH2-CZ 3.68Å; W600-Y668 AromaticContact CZ3-CD1 3.83Å; W600-Y668 HydrophobicContact CZ3-CD1 3.83Å; W600-Y668 AromaticContact CZ3-CD2 3.69Å; W600-Y668 HydrophobicContact CZ3-CD2 3.69Å; W600-Y668 HydrophobicContact CZ3-CE1 4.15Å; W600-Y668 AromaticContact CZ3-CE2 4Å; W600-Y668 HydrophobicContact CZ3-CE2 4Å; W600-Y668 AromaticContact CZ3-CG 3.58Å; W600-Y668 HydrophobicContact CZ3-CG 3.58Å; W600-F685 HydrophobicContact CE3-CE1 4.44Å; W600-F685 HydrophobicContact CZ3-CD1 4.36Å
601	K	96.8	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148	174.8	-170.3	169.6	173.6	35	0	111.6	D580 D581 Y582 V603 Q605 A617 P619 G620 G661	D580-K601 WeakPolarHBondContact O-CG 3.17Å; D580-K601 PolarHBondContact O-NZ 2.98Å; D580-K601 IonicContact OD1-NZ 2.72Å; D580-K601 PolarHBondContact OD1-NZ 2.63Å; D581-K601 IonicContact OD1-NZ 3.79Å; D581-K601 PolarHBondContact OD1-NZ 2.73Å; Y582-K601 HydrophobicContact CD1-CB 3.7Å; Y582-K601 HydrophobicContact CD2-CD 4.18Å; Y582-K601 HydrophobicContact CE1-CB 3.56Å; Y582-K601 HydrophobicContact CE2-CB 4.43Å; Y582-K601 HydrophobicContact CE2-CD 3.91Å; Y582-K601 HydrophobicContact CG-CB 4.2Å; K601-V603 VanDerWaalsContact CD-O 3.24Å; K601-V603 WeakPolarHBondContact CD-O 3.31Å; K601-V603 WeakPolarHBondContact CE-O 3.08Å; K601-V603 VanDerWaalsContact CG-O 3.32Å; K601-V603 WeakPolarHBondContact CG-O 3.14Å; K601-Q605 VanDerWaalsContact CE-CB 3.43Å; K601-A617 HydrophobicContact CD-CB 3.57Å; K601-P619 WeakPolarHBondContact O-CA 3.41Å; K601-G620 PolarHBondContact O-N 2.77Å; K601-G661 WeakPolarHBondContact O-CA 3.36Å
602	Q	96.5	Very high	95	Very high	43 Å²	43	38 Å²	38	20%	0.201	20%	0.197	C	C	.	.	S	Bend	trans	-79.3	-52.3	179.1	179.4	179.7	86.4	0	0	113.3	D580 P619 G661 W662 D664	D580-Q602 HydrophobicContact CB-CB 4.02Å; D580-Q602 HydrophobicContact CB-CG 4.4Å; D580-Q602 PolarHBondContact O-N 3.43Å; D580-Q602 VanDerWaalsContact O-N 3.14Å; Q602-P619 VanDerWaalsContact O-CB 3.27Å; Q602-P619 WeakPolarHBondContact O-CB 3.49Å; Q602-G661 WeakPolarHBondContact O-CA 2.8Å; Q602-W662 HydrophobicContact CB-CD2 3.71Å; Q602-W662 VanDerWaalsContact CB-CE2 3.5Å; Q602-W662 HydrophobicContact CB-CE3 4Å; Q602-W662 HydrophobicContact CB-CG 4.32Å; Q602-W662 HydrophobicContact CB-CH2 3.85Å; Q602-W662 HydrophobicContact CB-CZ2 3.58Å; Q602-W662 HydrophobicContact CB-CZ3 4.06Å; Q602-W662 HydrophobicContact CG-CD2 4.42Å; Q602-W662 HydrophobicContact CG-CE3 4.3Å; Q602-W662 HydrophobicContact CG-CH2 4.49Å; Q602-W662 HydrophobicContact CG-CZ3 4.34Å; Q602-W662 VanDerWaalsContact CG-O 3.27Å; Q602-W662 WeakPolarHBondContact CG-O 3.21Å; Q602-W662 PolarHBondContact NE2-O 3.19Å; Q602-D664 PolarHBondContact NE2-OD1 3.18Å
603	V	95.8	Very high	94.9	Very high	63 Å²	63	41 Å²	41	38%	0.382	21%	0.21	S	C	.	.	S	Bend	trans	-120.6	157.2	-175.4	-175.8	0	0	0	0	111.1	D580 K601	D580-V603 HydrophobicContact CB-CB 4.05Å; D580-V603 HydrophobicContact CB-CG2 3.87Å; D580-V603 WeakPolarHBondContact OD2-CB 3.4Å; K601-V603 VanDerWaalsContact CD-O 3.24Å; K601-V603 WeakPolarHBondContact CD-O 3.31Å; K601-V603 WeakPolarHBondContact CE-O 3.08Å; K601-V603 VanDerWaalsContact CG-O 3.32Å; K601-V603 WeakPolarHBondContact CG-O 3.14Å
604	E	95.8	Very high	94.9	Very high	124 Å²	124	48.1 Å²	48.1	58%	0.579	24%	0.235	S	C	*	.			trans	-70.3	126.6	172.3	-170.8	-174.3	167	0	0	110.8	A617	E604-A617 CarbonylContact C-O 3.01Å; E604-A617 VanDerWaalsContact CA-O 3.29Å; E604-A617 WeakPolarHBondContact CA-O 3.24Å; E604-A617 VanDerWaalsContact CG-O 3.29Å; E604-A617 WeakPolarHBondContact CG-O 3.18Å
605	Q	94.3	Very high	94.8	Very high	60 Å²	60	48 Å²	48	28%	0.28	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.3	178.3	-178.2	164.3	-79.7	0	0	112.1	D581 K601 A617 W641	D581-Q605 PolarHBondContact OD1-NE2 3.13Å; K601-Q605 VanDerWaalsContact CE-CB 3.43Å; Q605-A617 PolarHBondContact N-O 2.72Å; Q605-A617 WeakPolarHBondContact O-CB 2.99Å; Q605-A617 PolarHBondContact O-N 3.41Å; Q605-W641 HydrophobicContact CB-CZ2 4.05Å; Q605-W641 HydrophobicContact CG-CZ2 3.87Å; Q605-W641 PolarHBondContact O-NE1 3.43Å; Q605-W641 VanDerWaalsContact O-NE1 3.11Å
606	I	94.1	Very high	94.7	Very high	77 Å²	77	49.8 Å²	49.8	40%	0.395	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.5	168.3	-60.9	151.4	0	0	0	107.3	W608 R614 A615 V616	I606-W608 PolarHBondContact O-N 2.89Å; I606-R614 HydrophobicContact CG2-CG 3.98Å; I606-A615 WeakPolarHBondContact CG2-O 3.36Å; I606-V616 HydrophobicContact CG1-CG1 4.17Å; I606-V616 HydrophobicContact CG1-CG2 4.12Å
607	Y	92.4	Very high	94.6	Very high	6 Å²	6	49.8 Å²	49.8	2%	0.024	25%	0.245	C	C	.	.			trans	-59.6	138.1	177.2	-166.6	-122.6	0	0	0	110.8	Q609 A615 R637 N638 W641 F713	Y607-Q609 VanDerWaalsContact C-N 3.32Å; Y607-Q609 HydrophobicContact CD1-CB 3.93Å; Y607-Q609 WeakPolarHBondContact CD1-O 3.46Å; Y607-Q609 HydrophobicContact CE1-CB 3.64Å; Y607-Q609 HydrophobicContact CE1-CG 4.29Å; Y607-Q609 PolarHBondContact O-N 2.87Å; Y607-Q609 PolarHBondContact OH-OE1 2.58Å; Y607-A615 PolarHBondContact N-O 3.48Å; Y607-R637 HydrophobicContact CE1-CG 4.35Å; Y607-R637 VanDerWaalsContact CE1-NE 3.3Å; Y607-R637 WeakPolarHBondContact OH-CD 3.44Å; Y607-N638 WeakPolarHBondContact CD1-OD1 3.32Å; Y607-N638 WeakPolarHBondContact CE1-OD1 3.25Å; Y607-W641 AromaticContact CD2-CD2 3.48Å; Y607-W641 HydrophobicContact CD2-CD2 3.48Å; Y607-W641 VanDerWaalsContact CD2-CD2 3.48Å; Y607-W641 AromaticContact CD2-CE2 3.82Å; Y607-W641 AromaticContact CD2-CE3 3.47Å; Y607-W641 HydrophobicContact CD2-CE3 3.47Å; Y607-W641 VanDerWaalsContact CD2-CE3 3.47Å; Y607-W641 HydrophobicContact CD2-CG 4.03Å; Y607-W641 HydrophobicContact CD2-CH2 4.06Å; Y607-W641 HydrophobicContact CD2-CZ2 4.12Å; Y607-W641 AromaticContact CD2-CZ3 3.76Å; Y607-W641 HydrophobicContact CD2-CZ3 3.76Å; Y607-W641 HydrophobicContact CE2-CD2 4.36Å; Y607-W641 AromaticContact CE2-CE3 3.91Å; Y607-W641 HydrophobicContact CE2-CE3 3.91Å; Y607-W641 HydrophobicContact CE2-CZ3 4.04Å; Y607-W641 HydrophobicContact CG-CD2 4.02Å; Y607-W641 HydrophobicContact CG-CE3 4.39Å; Y607-W641 HydrophobicContact CG-CG 4.1Å; Y607-F713 HydrophobicContact CD2-CZ 4.47Å; Y607-F713 AromaticContact CE2-CE2 3.91Å; Y607-F713 HydrophobicContact CE2-CE2 3.91Å; Y607-F713 AromaticContact CE2-CZ 3.84Å; Y607-F713 HydrophobicContact CE2-CZ 3.84Å
608	W	88.3	Confident	94.5	Very high	140 Å²	140	53.4 Å²	53.4	53%	0.53	26%	0.262	S	S	.	.	S	Bend	trans	-68.7	-30.6	-171.5	57.2	87.2	0	0	0	112.8	I606 A610 W641	I606-W608 PolarHBondContact O-N 2.89Å; W608-A610 PolarHBondContact O-N 2.81Å; W608-W641 HydrophobicContact CZ3-CH2 4.16Å; W608-W641 HydrophobicContact CZ3-CZ3 4.39Å
609	Q	88.1	Confident	94.4	Very high	28 Å²	28	53.9 Å²	53.9	13%	0.131	27%	0.265	C	S	.	.			trans	-85.1	111.2	171.7	-71	160.6	-34.7	0	0	110.5	D530 Y607 N611 N638	D530-Q609 PolarHBondContact OD2-NE2 3.32Å; Y607-Q609 VanDerWaalsContact C-N 3.32Å; Y607-Q609 HydrophobicContact CD1-CB 3.93Å; Y607-Q609 WeakPolarHBondContact CD1-O 3.46Å; Y607-Q609 HydrophobicContact CE1-CB 3.64Å; Y607-Q609 HydrophobicContact CE1-CG 4.29Å; Y607-Q609 PolarHBondContact O-N 2.87Å; Y607-Q609 PolarHBondContact OH-OE1 2.58Å; Q609-N611 VanDerWaalsContact C-N 3.29Å; Q609-N611 PolarHBondContact O-N 3.37Å; Q609-N638 PolarHBondContact O-ND2 3.32Å; Q609-N638 VanDerWaalsContact O-ND2 3.13Å
610	A	88.4	Confident	94.3	Very high	60 Å²	60	53.9 Å²	53.9	50%	0.496	27%	0.265	S	S	.	.			trans	-80.2	-8	179.6	0	0	0	0	0	114.4	W608 F613 R614	W608-A610 PolarHBondContact O-N 2.81Å; A610-F613 CarbonylContact O-C 3.49Å; A610-F613 VanDerWaalsContact O-CA 3.32Å; A610-F613 WeakPolarHBondContact O-CA 3.15Å; A610-F613 PolarHBondContact O-N 3.44Å; A610-R614 PolarHBondContact O-N 3.24Å
611	N	89.8	Confident	94.3	Very high	118 Å²	118	53.5 Å²	53.5	63%	0.631	26%	0.264	S	S	*	.	S	Bend	trans	-99.9	146.6	171.6	-69.5	-23.2	0	0	0	109	Q609 F613 R637 N638	Q609-N611 VanDerWaalsContact C-N 3.29Å; Q609-N611 PolarHBondContact O-N 3.37Å; N611-F613 VanDerWaalsContact C-N 3.34Å; N611-R637 PolarHBondContact O-NH2 2.97Å; N611-N638 PolarHBondContact O-ND2 2.76Å
612	P	92.5	Very high	94.4	Very high	50 Å²	50	53.5 Å²	53.5	33%	0.325	26%	0.264	S	S	.	.	S	Bend	cis	-74.7	-18.2	-0.2	26.2	-33.3	0	0	0	113.8	E634 N635	P612-E634 VanDerWaalsContact CD-O 3.26Å; P612-E634 WeakPolarHBondContact CD-O 3.38Å; P612-E634 HydrophobicContact CG-CB 4.33Å; P612-N635 WeakPolarHBondContact CB-OD1 3.39Å; P612-N635 HydrophobicContact CG-CB 4.26Å; P612-N635 WeakPolarHBondContact CG-OD1 3.46Å
613	F	95.4	Very high	94.5	Very high	64 Å²	64	51.5 Å²	51.5	28%	0.281	26%	0.255	S	S	.	.	S	Bend	trans	-150.1	163.5	169.8	66	-86.8	0	0	0	110.7	A610 N611 A615 N638 H642 T646	A610-F613 CarbonylContact O-C 3.49Å; A610-F613 VanDerWaalsContact O-CA 3.32Å; A610-F613 WeakPolarHBondContact O-CA 3.15Å; A610-F613 PolarHBondContact O-N 3.44Å; N611-F613 VanDerWaalsContact C-N 3.34Å; F613-A615 HydrophobicContact CE2-CB 4.21Å; F613-A615 PolarHBondContact O-N 2.04Å; F613-A615 VanDerWaalsContact O-N 3.08Å; F613-N638 HydrophobicContact CD1-CB 4.31Å; F613-N638 HydrophobicContact CE1-CB 3.74Å; F613-N638 HydrophobicContact CE2-CB 4.28Å; F613-N638 HydrophobicContact CZ-CB 3.71Å; F613-N638 PolarHBondContact O-ND2 3.05Å; F613-H642 HydrophobicContact CE2-CB 4.09Å; F613-T646 HydrophobicContact CE1-CG2 4.5Å; F613-T646 HydrophobicContact CE2-CG2 4.05Å; F613-T646 HydrophobicContact CZ-CG2 3.67Å
614	R	95.3	Very high	94.7	Very high	163 Å²	163	48.5 Å²	48.5	62%	0.615	24%	0.237	S	C	*	.			trans	-74.7	102.4	-179.3	-172.3	-179.2	-176.5	-172.7	0.8	111	I606 A610	I606-R614 HydrophobicContact CG2-CG 3.98Å; A610-R614 PolarHBondContact O-N 3.24Å
615	A	96.1	Very high	94.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.			trans	-82.7	132.5	174.4	0	0	0	0	0	111.5	I606 Y607 F613 N638 W641 H642	I606-A615 WeakPolarHBondContact CG2-O 3.36Å; Y607-A615 PolarHBondContact N-O 3.48Å; F613-A615 HydrophobicContact CE2-CB 4.21Å; F613-A615 PolarHBondContact O-N 2.04Å; F613-A615 VanDerWaalsContact O-N 3.08Å; A615-N638 HydrophobicContact CB-CB 4.08Å; A615-N638 WeakPolarHBondContact CB-O 3.45Å; A615-W641 HydrophobicContact CB-CB 4.07Å; A615-W641 HydrophobicContact CB-CG 4.27Å; A615-H642 HydrophobicContact CB-CB 3.93Å
616	V	96.6	Very high	95	Very high	38 Å²	38	39.9 Å²	39.9	23%	0.23	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.1	175.8	-171.9	0	0	0	0	108.4	I606 H642 T643	I606-V616 HydrophobicContact CG1-CG1 4.17Å; I606-V616 HydrophobicContact CG1-CG2 4.12Å; V616-H642 PolarHBondContact N-ND1 3.19Å; V616-H642 CarbonylContact O-C 3.6Å; V616-H642 WeakPolarHBondContact O-CA 3.43Å; V616-H642 PolarHBondContact O-ND1 2.79Å; V616-T643 PolarHBondContact O-N 2.9Å
617	A	96.6	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.6	176.6	0	0	0	0	0	110.2	Y582 K601 E604 Q605 W641 T643	Y582-A617 HydrophobicContact CE2-CB 3.66Å; Y582-A617 VanDerWaalsContact OH-CB 3.24Å; Y582-A617 WeakPolarHBondContact OH-CB 3.07Å; K601-A617 HydrophobicContact CD-CB 3.57Å; E604-A617 CarbonylContact C-O 3.01Å; E604-A617 VanDerWaalsContact CA-O 3.29Å; E604-A617 WeakPolarHBondContact CA-O 3.24Å; E604-A617 VanDerWaalsContact CG-O 3.29Å; E604-A617 WeakPolarHBondContact CG-O 3.18Å; Q605-A617 PolarHBondContact N-O 2.72Å; Q605-A617 WeakPolarHBondContact O-CB 2.99Å; Q605-A617 PolarHBondContact O-N 3.41Å; A617-W641 HydrophobicContact CB-CD2 4.5Å; A617-W641 HydrophobicContact CB-CG 4.32Å; A617-W641 VanDerWaalsContact CB-NE1 3.26Å; A617-W641 WeakPolarHBondContact CB-O 3.39Å; A617-T643 WeakPolarHBondContact CA-OG1 3.14Å
618	E	97.1	Very high	95.3	Very high	76 Å²	76	41.5 Å²	41.5	36%	0.355	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-97.3	149.6	169.4	-62.6	-175.5	165.3	0	0	110.1	Q622 T643 K655	E618-Q622 PolarHBondContact O-NE2 3.29Å; E618-Q622 VanDerWaalsContact O-NE2 3.11Å; E618-T643 HydrophobicContact CB-CG2 4.09Å; E618-T643 HydrophobicContact CG-CG2 4.3Å; E618-T643 PolarHBondContact N-OG1 2.92Å; E618-K655 WeakPolarHBondContact OE2-CE 3.23Å; E618-K655 IonicContact OE2-NZ 2.72Å; E618-K655 PolarHBondContact OE2-NZ 3.34Å
619	P	97.1	Very high	95.6	Very high	13 Å²	13	40 Å²	40	8%	0.084	21%	0.205	C	C	.	.	S	Bend	trans	-69.6	165	175.5	31.9	-36.9	0	0	0	111.6	K601 Q602 N659	K601-P619 WeakPolarHBondContact O-CA 3.41Å; Q602-P619 VanDerWaalsContact O-CB 3.27Å; Q602-P619 WeakPolarHBondContact O-CB 3.49Å; P619-N659 PolarHBondContact O-OD1 2.73Å
620	G	96	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.7	163.4	-177.8	0	0	0	0	0	113.6	K601 V660	K601-G620 PolarHBondContact O-N 2.77Å; G620-V660 VanDerWaalsContact CA-O 3.25Å; G620-V660 WeakPolarHBondContact CA-O 3.49Å
621	I	98.2	Very high	96.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.1	-173	-57.4	155.3	0	0	0	108.7	V598 W600 W654 K655 D656 F685 A693	V598-I621 HydrophobicContact CG1-CG2 3.76Å; W600-I621 HydrophobicContact CB-CG1 4.28Å; W600-I621 HydrophobicContact CD2-CD1 4.27Å; W600-I621 HydrophobicContact CD2-CG1 3.52Å; W600-I621 HydrophobicContact CE3-CD1 4.44Å; W600-I621 HydrophobicContact CE3-CG1 4.05Å; W600-I621 HydrophobicContact CG-CG1 3.64Å; W600-I621 HydrophobicContact CH2-CD1 4.47Å; W600-I621 HydrophobicContact CZ2-CD1 4.31Å; W600-I621 HydrophobicContact CZ2-CG1 4.25Å; I621-W654 HydrophobicContact CB-CH2 4.48Å; I621-W654 HydrophobicContact CB-CZ3 3.92Å; I621-W654 HydrophobicContact CG2-CZ3 3.84Å; I621-W654 WeakPolarHBondContact O-CZ3 3.27Å; I621-K655 WeakPolarHBondContact O-CA 3.47Å; I621-D656 HydrophobicContact CB-CB 4.4Å; I621-D656 PolarHBondContact O-N 2.82Å; I621-F685 HydrophobicContact CD1-CB 4.04Å; I621-F685 HydrophobicContact CD1-CD1 3.98Å; I621-F685 HydrophobicContact CD1-CD2 3.63Å; I621-F685 HydrophobicContact CD1-CE1 4.33Å; I621-F685 HydrophobicContact CD1-CE2 4.01Å; I621-F685 HydrophobicContact CD1-CG 3.61Å; I621-F685 HydrophobicContact CD1-CZ 4.34Å; I621-F685 HydrophobicContact CG1-CE2 4.42Å; I621-F685 HydrophobicContact CG1-CZ 4.47Å; I621-F685 HydrophobicContact CG2-CD2 4.24Å; I621-F685 HydrophobicContact CG2-CE2 3.57Å; I621-F685 HydrophobicContact CG2-CZ 3.88Å; I621-A693 HydrophobicContact CD1-CB 3.69Å
622	Q	98.5	Very high	96.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.5	179.3	-62	170.5	52.3	0	0	108.5	Y582 V598 M599 E618 K624 T643 L652 K655	Y582-Q622 PolarHBondContact OH-NE2 2.75Å; V598-Q622 CarbonylContact C-O 3.56Å; V598-Q622 VanDerWaalsContact CA-O 3.32Å; V598-Q622 WeakPolarHBondContact CA-O 3.11Å; M599-Q622 HydrophobicContact CG-CB 3.96Å; M599-Q622 PolarHBondContact N-O 2.59Å; M599-Q622 PolarHBondContact O-N 2.72Å; E618-Q622 PolarHBondContact O-NE2 3.29Å; E618-Q622 VanDerWaalsContact O-NE2 3.11Å; Q622-K624 VanDerWaalsContact OE1-NZ 3.13Å; Q622-T643 HydrophobicContact CG-CG2 4.41Å; Q622-T643 PolarHBondContact NE2-OG1 3.01Å; Q622-T643 PolarHBondContact OE1-OG1 2.89Å; Q622-L652 HydrophobicContact CB-CD1 3.94Å; Q622-L652 HydrophobicContact CG-CD1 4.27Å; Q622-K655 HydrophobicContact CG-CD 4.38Å; Q622-K655 HydrophobicContact CG-CG 4.28Å
623	L	98.7	Very high	96.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	121	168	171.1	66.5	0	0	0	107.7	F587 V598 L653 W654 I681 I698	F587-L623 HydrophobicContact CE1-CD1 3.74Å; F587-L623 HydrophobicContact CZ-CD1 3.81Å; V598-L623 HydrophobicContact CG2-CD1 3.69Å; L623-L653 HydrophobicContact CD2-CB 4.17Å; L623-L653 HydrophobicContact CD2-CD1 4.26Å; L623-L653 HydrophobicContact CG-CB 4.11Å; L623-L653 HydrophobicContact CG-CD1 4.18Å; L623-L653 PolarHBondContact O-N 3.15Å; L623-W654 HydrophobicContact CB-CB 4.21Å; L623-W654 PolarHBondContact N-O 3.01Å; L623-W654 PolarHBondContact O-N 3.24Å; L623-I681 HydrophobicContact CD2-CG2 3.82Å; L623-I698 HydrophobicContact CD2-CG1 4.25Å; L623-I698 HydrophobicContact CD2-CG2 4.37Å
624	K	98.7	Very high	96.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.6	-179.6	-53.5	-173.7	-170.3	175.7	0	111	Y596 V597 M599 Q622 L640 H642 V650 K651 L652	Y596-K624 WeakPolarHBondContact CA-O 3.4Å; V597-K624 HydrophobicContact CG1-CB 3.91Å; V597-K624 PolarHBondContact N-O 3.11Å; V597-K624 PolarHBondContact O-N 2.92Å; M599-K624 HydrophobicContact CE-CD 3.81Å; M599-K624 HydrophobicContact CE-CG 4.45Å; M599-K624 HydrophobicContact SD-CD 4.06Å; M599-K624 VanDerWaalsContact SD-CE 3.53Å; M599-K624 PolarHBondContact SD-NZ 3.23Å; M599-K624 VanDerWaalsContact SD-NZ 3.37Å; Q622-K624 VanDerWaalsContact OE1-NZ 3.13Å; K624-L640 PolarHBondContact NZ-O 2.61Å; K624-H642 PolarHBondContact NZ-O 3.07Å; K624-V650 HydrophobicContact CB-CG1 3.67Å; K624-V650 HydrophobicContact CD-CG1 3.55Å; K624-V650 HydrophobicContact CG-CG1 4.12Å; K624-K651 CarbonylContact C-O 3.5Å; K624-K651 VanDerWaalsContact CA-O 3.22Å; K624-K651 WeakPolarHBondContact CA-O 3.22Å; K624-L652 HydrophobicContact CG-CD1 3.88Å
625	A	98.5	Very high	96.2	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.5	163.3	0	0	0	0	0	108.2	Y596 V650 K651 L653 M703	Y596-A625 HydrophobicContact CD1-CB 3.78Å; Y596-A625 HydrophobicContact CE1-CB 3.78Å; A625-V650 WeakPolarHBondContact O-CA 3.45Å; A625-K651 PolarHBondContact N-O 3.38Å; A625-K651 PolarHBondContact O-N 2.87Å; A625-L653 HydrophobicContact CB-CD1 4.05Å; A625-L653 HydrophobicContact CB-CD2 4.21Å; A625-L653 HydrophobicContact CB-CG 4.17Å; A625-M703 HydrophobicContact CB-CE 4.19Å
626	V	98.4	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.3	173.8	-174.6	0	0	0	0	106.9	S593 S594 F595 V597 L636 L640 V650	S593-V626 CarbonylContact O-C 3.53Å; S593-V626 VanDerWaalsContact O-C 3.32Å; S594-V626 WeakPolarHBondContact CA-O 3.49Å; F595-V626 HydrophobicContact CD1-CB 4.06Å; F595-V626 HydrophobicContact CD1-CG1 4.22Å; F595-V626 HydrophobicContact CD2-CB 4.31Å; F595-V626 HydrophobicContact CD2-CG2 4Å; F595-V626 HydrophobicContact CE1-CB 3.94Å; F595-V626 HydrophobicContact CE1-CG1 3.75Å; F595-V626 HydrophobicContact CE1-CG2 4.16Å; F595-V626 HydrophobicContact CE2-CB 4.21Å; F595-V626 HydrophobicContact CE2-CG2 3.62Å; F595-V626 HydrophobicContact CG-CB 4.24Å; F595-V626 HydrophobicContact CG-CG2 4.44Å; F595-V626 HydrophobicContact CZ-CB 4.03Å; F595-V626 HydrophobicContact CZ-CG1 4.02Å; F595-V626 HydrophobicContact CZ-CG2 3.71Å; F595-V626 PolarHBondContact N-O 2.88Å; F595-V626 VanDerWaalsContact N-O 3.15Å; F595-V626 WeakPolarHBondContact O-CA 3.3Å; F595-V626 VanDerWaalsContact O-CB 3.31Å; F595-V626 WeakPolarHBondContact O-CB 3.31Å; F595-V626 PolarHBondContact O-N 3.29Å; V597-V626 HydrophobicContact CG1-CG2 3.95Å; V626-L636 HydrophobicContact CG1-CD1 3.54Å; V626-L640 HydrophobicContact CG2-CD2 3.83Å; V626-V650 HydrophobicContact CG1-CG2 4.23Å; V626-V650 HydrophobicContact CG2-CG1 4.35Å; V626-V650 HydrophobicContact CG2-CG2 4.15Å
627	K	97	Very high	96.2	Very high	103 Å²	103	27.9 Å²	27.9	45%	0.448	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	79.8	169.4	-164.2	67.6	176.5	178	0	107	S593 S594 Q649 T702	S593-K627 CarbonylContact O-C 3.45Å; S593-K627 WeakPolarHBondContact O-CA 3.48Å; S593-K627 PolarHBondContact O-N 2.85Å; S594-K627 WeakPolarHBondContact OG-CD 3.4Å; S594-K627 PolarHBondContact OG-NZ 2.96Å; K627-Q649 CarbonylContact C-O 3.5Å; K627-Q649 PolarHBondContact N-O 2.94Å; K627-T702 HydrophobicContact CB-CG2 3.85Å; K627-T702 HydrophobicContact CD-CG2 4.18Å; K627-T702 HydrophobicContact CG-CG2 4.04Å
628	S	96.7	Very high	96.1	Very high	14 Å²	14	27.9 Å²	27.9	10%	0.098	15%	0.148	C	C	.	.			trans	-83.3	136.8	-172.4	-174.3	0	0	0	0	111.7	S593 T630 G631 Q649	S593-S628 WeakPolarHBondContact CB-O 3.33Å; S593-S628 PolarHBondContact O-N 2.84Å; S628-T630 PolarHBondContact OG-N 3.35Å; S628-T630 PolarHBondContact OG-OG1 3.25Å; S628-G631 PolarHBondContact OG-N 2.83Å; S628-G631 VanDerWaalsContact OG-N 3.11Å; S628-Q649 VanDerWaalsContact OG-CD 3.23Å; S628-Q649 PolarHBondContact OG-NE2 3.37Å; S628-Q649 VanDerWaalsContact OG-NE2 3.09Å; S628-Q649 PolarHBondContact OG-OE1 2.94Å
629	N	95	Very high	96.2	Very high	108 Å²	108	24.3 Å²	24.3	58%	0.578	13%	0.132	S	C	*	.	S	Bend	trans	-89.8	-8.7	170.4	70.5	-9.1	0	0	0	113.8	D648 Q649	N629-D648 HydrophobicContact CB-CB 4.28Å; N629-D648 PolarHBondContact N-O 2.92Å; N629-D648 WeakPolarHBondContact ND2-CB 3.49Å; N629-D648 PolarHBondContact OD1-O 3.19Å; N629-D648 VanDerWaalsContact OD1-O 3.13Å; N629-Q649 PolarHBondContact OD1-NE2 2.86Å
630	T	93.6	Very high	96.2	Very high	74 Å²	74	23.7 Å²	23.7	45%	0.454	13%	0.128	S	C	.	.	S	Bend	trans	-106.8	-21.4	178.3	57	0	0	0	0	113.2	S628 N635 Q649	S628-T630 PolarHBondContact OG-N 3.35Å; S628-T630 PolarHBondContact OG-OG1 3.25Å; T630-N635 HydrophobicContact CG2-CB 4.37Å; T630-Q649 PolarHBondContact OG1-NE2 3.14Å; T630-Q649 PolarHBondContact OG1-OE1 2.92Å
631	G	93.1	Very high	96.2	Very high	6 Å²	6	23.7 Å²	23.7	6%	0.062	13%	0.128	C	C	.	.			trans	69.3	-164.8	-167.7	0	0	0	0	0	113.8	S593 S628 L636	S593-G631 WeakPolarHBondContact OG-CA 3.38Å; S628-G631 PolarHBondContact OG-N 2.83Å; S628-G631 VanDerWaalsContact OG-N 3.11Å; G631-L636 WeakPolarHBondContact O-CB 3.32Å
632	P	94.4	Very high	96.2	Very high	30 Å²	30	25.9 Å²	25.9	20%	0.195	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	141	178.2	-30.8	37.8	0	0	0	113.7	P527 S592	P527-P632 HydrophobicContact CG-CB 4.37Å; S592-P632 VanDerWaalsContact OG-CD 3.26Å; S592-P632 WeakPolarHBondContact OG-CD 3.1Å; S592-P632 WeakPolarHBondContact OG-CG 3.5Å
633	G	92.7	Very high	96.2	Very high	6 Å²	6	26.7 Å²	26.7	6%	0.062	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	133.2	-167.7	-179.8	0	0	0	0	0	113.4	L525 N635 L636 R637	L525-G633 PolarHBondContact O-N 3.02Å; G633-N635 VanDerWaalsContact C-N 3.29Å; G633-N635 PolarHBondContact O-N 2.81Å; G633-N635 VanDerWaalsContact O-N 3.12Å; G633-L636 PolarHBondContact O-N 2.93Å; G633-R637 WeakPolarHBondContact O-CB 3.49Å; G633-R637 PolarHBondContact O-N 3.27Å
634	E	93.2	Very high	96.1	Very high	81 Å²	81	27.3 Å²	27.3	38%	0.379	15%	0.15	S	C	.	.	H	α-helix	trans	-59.8	-33.5	-166.5	-50.7	-171.4	155.9	0	0	114.7	P612 N638	P612-E634 VanDerWaalsContact CD-O 3.26Å; P612-E634 WeakPolarHBondContact CD-O 3.38Å; P612-E634 HydrophobicContact CG-CB 4.33Å; E634-N638 WeakPolarHBondContact O-CB 3.26Å; E634-N638 PolarHBondContact O-N 2.85Å; E634-N638 VanDerWaalsContact O-N 3.12Å; E634-N638 PolarHBondContact O-OD1 2.95Å
635	N	94.8	Very high	96.1	Very high	68 Å²	68	32.6 Å²	32.6	36%	0.364	18%	0.178	S	C	.	.	H	α-helix	trans	-69.3	-50	179.7	-71.6	-71.7	0	0	0	111.4	P612 T630 G633 S639	P612-N635 WeakPolarHBondContact CB-OD1 3.39Å; P612-N635 HydrophobicContact CG-CB 4.26Å; P612-N635 WeakPolarHBondContact CG-OD1 3.46Å; T630-N635 HydrophobicContact CG2-CB 4.37Å; G633-N635 VanDerWaalsContact C-N 3.29Å; G633-N635 PolarHBondContact O-N 2.81Å; G633-N635 VanDerWaalsContact O-N 3.12Å; N635-S639 VanDerWaalsContact O-CB 3.26Å; N635-S639 WeakPolarHBondContact O-CB 3.01Å; N635-S639 PolarHBondContact O-N 3.42Å; N635-S639 PolarHBondContact O-OG 3.15Å
636	L	95.9	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-43.7	179.6	177.9	54.5	0	0	0	110.4	L525 S592 V626 G631 G633 N638 S639 L640 Q649 V650	L525-L636 HydrophobicContact CD2-CD2 4.3Å; S592-L636 WeakPolarHBondContact O-CD2 3.3Å; V626-L636 HydrophobicContact CG1-CD1 3.54Å; G631-L636 WeakPolarHBondContact O-CB 3.32Å; G633-L636 PolarHBondContact O-N 2.93Å; L636-N638 PolarHBondContact O-N 3.03Å; L636-S639 CarbonylContact O-C 3.57Å; L636-S639 WeakPolarHBondContact O-CA 3.3Å; L636-S639 WeakPolarHBondContact O-CB 3.05Å; L636-S639 PolarHBondContact O-N 2.92Å; L636-S639 VanDerWaalsContact O-N 3.1Å; L636-L640 HydrophobicContact CD1-CD1 4.06Å; L636-L640 HydrophobicContact CD1-CD2 4.45Å; L636-L640 HydrophobicContact CD1-CG 3.93Å; L636-L640 HydrophobicContact CG-CD1 3.92Å; L636-L640 HydrophobicContact CG-CG 4.29Å; L636-L640 WeakPolarHBondContact O-CG 3.31Å; L636-L640 PolarHBondContact O-N 3.28Å; L636-Q649 VanDerWaalsContact CA-OE1 3.32Å; L636-V650 HydrophobicContact CD1-CG2 3.83Å
637	R	95.5	Very high	95.9	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-52	-56	174.5	177.5	-166.2	75.8	-154.7	-2.2	113	D526 P554 Y607 N611 G633 S639 L640 W641 F713	D526-R637 HydrophobicContact CB-CB 4.3Å; D526-R637 HydrophobicContact CB-CG 4.37Å; D526-R637 IonicContact OD1-NH1 3.86Å; D526-R637 WeakPolarHBondContact OD2-CD 3.03Å; D526-R637 IonicContact OD2-CZ 3.2Å; D526-R637 IonicContact OD2-NE 2.69Å; D526-R637 IonicContact OD2-NH1 3.57Å; D526-R637 PolarHBondContact OD2-NH1 2.97Å; P554-R637 HydrophobicContact CG-CG 4.23Å; Y607-R637 HydrophobicContact CE1-CG 4.35Å; Y607-R637 VanDerWaalsContact CE1-NE 3.3Å; Y607-R637 WeakPolarHBondContact OH-CD 3.44Å; N611-R637 PolarHBondContact O-NH2 2.97Å; G633-R637 WeakPolarHBondContact O-CB 3.49Å; G633-R637 PolarHBondContact O-N 3.27Å; R637-S639 PolarHBondContact O-N 3.2Å; R637-L640 PolarHBondContact O-N 2.87Å; R637-W641 PolarHBondContact O-N 3.3Å; R637-F713 HydrophobicContact CG-CE1 4.05Å; R637-F713 HydrophobicContact CG-CE2 4.42Å; R637-F713 HydrophobicContact CG-CZ 3.5Å
638	N	95.7	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-31.5	-179.5	-78	38.5	0	0	0	111.4	Y607 Q609 N611 F613 A615 E634 L636 H642	Y607-N638 WeakPolarHBondContact CD1-OD1 3.32Å; Y607-N638 WeakPolarHBondContact CE1-OD1 3.25Å; Q609-N638 PolarHBondContact O-ND2 3.32Å; Q609-N638 VanDerWaalsContact O-ND2 3.13Å; N611-N638 PolarHBondContact O-ND2 2.76Å; F613-N638 HydrophobicContact CD1-CB 4.31Å; F613-N638 HydrophobicContact CE1-CB 3.74Å; F613-N638 HydrophobicContact CE2-CB 4.28Å; F613-N638 HydrophobicContact CZ-CB 3.71Å; F613-N638 PolarHBondContact O-ND2 3.05Å; A615-N638 HydrophobicContact CB-CB 4.08Å; A615-N638 WeakPolarHBondContact CB-O 3.45Å; E634-N638 WeakPolarHBondContact O-CB 3.26Å; E634-N638 PolarHBondContact O-N 2.85Å; E634-N638 VanDerWaalsContact O-N 3.12Å; E634-N638 PolarHBondContact O-OD1 2.95Å; L636-N638 PolarHBondContact O-N 3.03Å; N638-H642 VanDerWaalsContact O-CB 3.32Å; N638-H642 WeakPolarHBondContact O-CB 3.34Å; N638-H642 PolarHBondContact O-N 2.97Å
639	S	97.5	Very high	95.8	Very high	1 Å²	1	39 Å²	39	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-68.7	-41	176.1	-59.6	0	0	0	0	113	N635 L636 R637 H642 T646 Q649	N635-S639 VanDerWaalsContact O-CB 3.26Å; N635-S639 WeakPolarHBondContact O-CB 3.01Å; N635-S639 PolarHBondContact O-N 3.42Å; N635-S639 PolarHBondContact O-OG 3.15Å; L636-S639 CarbonylContact O-C 3.57Å; L636-S639 WeakPolarHBondContact O-CA 3.3Å; L636-S639 WeakPolarHBondContact O-CB 3.05Å; L636-S639 PolarHBondContact O-N 2.92Å; L636-S639 VanDerWaalsContact O-N 3.1Å; R637-S639 PolarHBondContact O-N 3.2Å; S639-H642 PolarHBondContact O-N 2.04Å; S639-T646 VanDerWaalsContact CB-OG1 3.23Å; S639-T646 WeakPolarHBondContact CB-OG1 3.25Å; S639-T646 PolarHBondContact OG-OG1 3Å; S639-Q649 WeakPolarHBondContact OG-CB 3.17Å
640	L	97.6	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-42.8	173.9	-73.2	168.2	0	0	0	111.1	L525 F595 V597 M599 K624 V626 L636 R637 V650 F713	L525-L640 HydrophobicContact CB-CD1 4.49Å; L525-L640 HydrophobicContact CD1-CD1 3.74Å; F595-L640 HydrophobicContact CZ-CD2 4.43Å; V597-L640 HydrophobicContact CG1-CD2 4.27Å; M599-L640 HydrophobicContact CE-CD2 3.98Å; M599-L640 VanDerWaalsContact SD-O 3.36Å; K624-L640 PolarHBondContact NZ-O 2.61Å; V626-L640 HydrophobicContact CG2-CD2 3.83Å; L636-L640 HydrophobicContact CD1-CD1 4.06Å; L636-L640 HydrophobicContact CD1-CD2 4.45Å; L636-L640 HydrophobicContact CD1-CG 3.93Å; L636-L640 HydrophobicContact CG-CD1 3.92Å; L636-L640 HydrophobicContact CG-CG 4.29Å; L636-L640 WeakPolarHBondContact O-CG 3.31Å; L636-L640 PolarHBondContact O-N 3.28Å; R637-L640 PolarHBondContact O-N 2.87Å; L640-V650 HydrophobicContact CD2-CG2 4.37Å; L640-F713 HydrophobicContact CB-CE1 4.45Å
641	W	97.4	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-42.3	176.1	-170.2	-79.3	0	0	0	112.4	D581 Y582 Q605 Y607 W608 A615 A617 R637 T643 F713	D581-W641 WeakPolarHBondContact OD1-CH2 3.34Å; Y582-W641 HydrophobicContact CD2-CD2 4.36Å; Y582-W641 HydrophobicContact CD2-CE3 4.07Å; Y582-W641 HydrophobicContact CD2-CZ3 4.39Å; Y582-W641 HydrophobicContact CE2-CD2 4.1Å; Y582-W641 HydrophobicContact CE2-CE3 4.27Å; Y582-W641 HydrophobicContact CE2-CG 4.27Å; Y582-W641 PolarHBondContact OH-O 3.46Å; Q605-W641 HydrophobicContact CB-CZ2 4.05Å; Q605-W641 HydrophobicContact CG-CZ2 3.87Å; Q605-W641 PolarHBondContact O-NE1 3.43Å; Q605-W641 VanDerWaalsContact O-NE1 3.11Å; Y607-W641 AromaticContact CD2-CD2 3.48Å; Y607-W641 HydrophobicContact CD2-CD2 3.48Å; Y607-W641 VanDerWaalsContact CD2-CD2 3.48Å; Y607-W641 AromaticContact CD2-CE2 3.82Å; Y607-W641 AromaticContact CD2-CE3 3.47Å; Y607-W641 HydrophobicContact CD2-CE3 3.47Å; Y607-W641 VanDerWaalsContact CD2-CE3 3.47Å; Y607-W641 HydrophobicContact CD2-CG 4.03Å; Y607-W641 HydrophobicContact CD2-CH2 4.06Å; Y607-W641 HydrophobicContact CD2-CZ2 4.12Å; Y607-W641 AromaticContact CD2-CZ3 3.76Å; Y607-W641 HydrophobicContact CD2-CZ3 3.76Å; Y607-W641 HydrophobicContact CE2-CD2 4.36Å; Y607-W641 AromaticContact CE2-CE3 3.91Å; Y607-W641 HydrophobicContact CE2-CE3 3.91Å; Y607-W641 HydrophobicContact CE2-CZ3 4.04Å; Y607-W641 HydrophobicContact CG-CD2 4.02Å; Y607-W641 HydrophobicContact CG-CE3 4.39Å; Y607-W641 HydrophobicContact CG-CG 4.1Å; W608-W641 HydrophobicContact CZ3-CH2 4.16Å; W608-W641 HydrophobicContact CZ3-CZ3 4.39Å; A615-W641 HydrophobicContact CB-CB 4.07Å; A615-W641 HydrophobicContact CB-CG 4.27Å; A617-W641 HydrophobicContact CB-CD2 4.5Å; A617-W641 HydrophobicContact CB-CG 4.32Å; A617-W641 VanDerWaalsContact CB-NE1 3.26Å; A617-W641 WeakPolarHBondContact CB-O 3.39Å; R637-W641 PolarHBondContact O-N 3.3Å; W641-T643 PolarHBondContact O-N 2.86Å; W641-F713 HydrophobicContact CB-CE1 4.07Å; W641-F713 HydrophobicContact CE3-CD1 4.06Å; W641-F713 HydrophobicContact CE3-CD2 4.19Å; W641-F713 AromaticContact CE3-CE1 3.74Å; W641-F713 HydrophobicContact CE3-CE1 3.74Å; W641-F713 AromaticContact CE3-CE2 3.85Å; W641-F713 HydrophobicContact CE3-CE2 3.85Å; W641-F713 HydrophobicContact CE3-CG 4.28Å; W641-F713 AromaticContact CE3-CZ 3.61Å; W641-F713 HydrophobicContact CE3-CZ 3.61Å; W641-F713 HydrophobicContact CZ3-CD2 4.16Å; W641-F713 HydrophobicContact CZ3-CE2 4.01Å; W641-F713 HydrophobicContact CZ3-CG 4.5Å; W641-F713 HydrophobicContact CZ3-CZ 4.25Å
642	H	98.3	Very high	96.5	Very high	47 Å²	47	36.8 Å²	36.8	22%	0.218	20%	0.204	C	C	.	.	S	Bend	trans	-68.2	130	-172.9	-173.1	38	0	0	0	112.5	F613 A615 V616 K624 N638 S639 G644 T646	F613-H642 HydrophobicContact CE2-CB 4.09Å; A615-H642 HydrophobicContact CB-CB 3.93Å; V616-H642 PolarHBondContact N-ND1 3.19Å; V616-H642 CarbonylContact O-C 3.6Å; V616-H642 WeakPolarHBondContact O-CA 3.43Å; V616-H642 PolarHBondContact O-ND1 2.79Å; K624-H642 PolarHBondContact NZ-O 3.07Å; N638-H642 VanDerWaalsContact O-CB 3.32Å; N638-H642 WeakPolarHBondContact O-CB 3.34Å; N638-H642 PolarHBondContact O-N 2.97Å; S639-H642 PolarHBondContact O-N 2.04Å; H642-G644 PolarHBondContact O-N 3.24Å; H642-T646 HydrophobicContact CB-CG2 4.45Å
643	T	98	Very high	96.6	Very high	17 Å²	17	36.8 Å²	36.8	10%	0.104	20%	0.202	C	C	.	.	S	Bend	trans	-81.9	97.3	170.5	-54.6	0	0	0	0	110.7	V616 A617 E618 Q622 W641 L652 K655	V616-T643 PolarHBondContact O-N 2.9Å; A617-T643 WeakPolarHBondContact CA-OG1 3.14Å; E618-T643 HydrophobicContact CB-CG2 4.09Å; E618-T643 HydrophobicContact CG-CG2 4.3Å; E618-T643 PolarHBondContact N-OG1 2.92Å; Q622-T643 HydrophobicContact CG-CG2 4.41Å; Q622-T643 PolarHBondContact NE2-OG1 3.01Å; Q622-T643 PolarHBondContact OE1-OG1 2.89Å; W641-T643 PolarHBondContact O-N 2.86Å; T643-L652 HydrophobicContact CG2-CD2 4.34Å; T643-K655 HydrophobicContact CG2-CD 3.49Å; T643-K655 VanDerWaalsContact CG2-CD 3.49Å
644	G	96.4	Very high	96.9	Very high	15 Å²	15	38.7 Å²	38.7	16%	0.155	21%	0.207	C	C	.	.	S	Bend	trans	150.8	-175.9	178.3	0	0	0	0	0	111.6	H642	H642-G644 PolarHBondContact O-N 3.24Å
645	D	97.7	Very high	97.1	Very high	111 Å²	111	37.1 Å²	37.1	59%	0.594	20%	0.199	S	C	*	.			trans	-78.4	141.1	173.9	-62.1	-20.2	0	0	0	110.6	V650 L652	D645-V650 WeakPolarHBondContact CA-O 3.5Å; D645-L652 PolarHBondContact OD1-N 2.85Å
646	T	97.3	Very high	97.2	Very high	17 Å²	17	34.2 Å²	34.2	10%	0.104	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-127.9	120.1	171.9	47.9	0	0	0	0	107.7	F613 S639 H642 D648 Q649 V650	F613-T646 HydrophobicContact CE1-CG2 4.5Å; F613-T646 HydrophobicContact CE2-CG2 4.05Å; F613-T646 HydrophobicContact CZ-CG2 3.67Å; S639-T646 VanDerWaalsContact CB-OG1 3.23Å; S639-T646 WeakPolarHBondContact CB-OG1 3.25Å; S639-T646 PolarHBondContact OG-OG1 3Å; H642-T646 HydrophobicContact CB-CG2 4.45Å; T646-D648 PolarHBondContact O-N 3.04Å; T646-Q649 PolarHBondContact O-N 2.81Å; T646-Q649 WeakPolarHBondContact OG1-CB 3.37Å; T646-V650 PolarHBondContact N-O 3.17Å; T646-V650 PolarHBondContact O-N 2.84Å; T646-V650 WeakPolarHBondContact OG1-CB 3.32Å; T646-V650 PolarHBondContact OG1-N 2.89Å; T646-V650 PolarHBondContact OG1-O 3.11Å; T646-V650 VanDerWaalsContact OG1-O 3.1Å
647	S	95.5	Very high	97.2	Very high	110 Å²	110	39.1 Å²	39.1	77%	0.769	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	132.7	-173.2	-59.6	0	0	0	0	111.1	Q649	S647-Q649 PolarHBondContact O-N 2.85Å
648	D	95.4	Very high	97.1	Very high	113 Å²	113	44.3 Å²	44.3	60%	0.604	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	21.5	178.3	-43.5	-45.3	0	0	0	114.6	N629 T646	N629-D648 HydrophobicContact CB-CB 4.28Å; N629-D648 PolarHBondContact N-O 2.92Å; N629-D648 WeakPolarHBondContact ND2-CB 3.49Å; N629-D648 PolarHBondContact OD1-O 3.19Å; N629-D648 VanDerWaalsContact OD1-O 3.13Å; T646-D648 PolarHBondContact O-N 3.04Å
649	Q	97.3	Very high	97.2	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.061	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-74.1	-176.7	-68.4	-68.9	-46	0	0	111.8	K627 S628 N629 T630 L636 S639 T646 S647	K627-Q649 CarbonylContact C-O 3.5Å; K627-Q649 PolarHBondContact N-O 2.94Å; S628-Q649 VanDerWaalsContact OG-CD 3.23Å; S628-Q649 PolarHBondContact OG-NE2 3.37Å; S628-Q649 VanDerWaalsContact OG-NE2 3.09Å; S628-Q649 PolarHBondContact OG-OE1 2.94Å; N629-Q649 PolarHBondContact OD1-NE2 2.86Å; T630-Q649 PolarHBondContact OG1-NE2 3.14Å; T630-Q649 PolarHBondContact OG1-OE1 2.92Å; L636-Q649 VanDerWaalsContact CA-OE1 3.32Å; S639-Q649 WeakPolarHBondContact OG-CB 3.17Å; T646-Q649 PolarHBondContact O-N 2.81Å; T646-Q649 WeakPolarHBondContact OG1-CB 3.37Å; S647-Q649 PolarHBondContact O-N 2.85Å
650	V	98.3	Very high	97.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.1	-172.5	-176.3	0	0	0	0	110.5	K624 A625 V626 L636 L640 D645 T646	K624-V650 HydrophobicContact CB-CG1 3.67Å; K624-V650 HydrophobicContact CD-CG1 3.55Å; K624-V650 HydrophobicContact CG-CG1 4.12Å; A625-V650 WeakPolarHBondContact O-CA 3.45Å; V626-V650 HydrophobicContact CG1-CG2 4.23Å; V626-V650 HydrophobicContact CG2-CG1 4.35Å; V626-V650 HydrophobicContact CG2-CG2 4.15Å; L636-V650 HydrophobicContact CD1-CG2 3.83Å; L640-V650 HydrophobicContact CD2-CG2 4.37Å; D645-V650 WeakPolarHBondContact CA-O 3.5Å; T646-V650 PolarHBondContact N-O 3.17Å; T646-V650 PolarHBondContact O-N 2.84Å; T646-V650 WeakPolarHBondContact OG1-CB 3.32Å; T646-V650 PolarHBondContact OG1-N 2.89Å; T646-V650 PolarHBondContact OG1-O 3.11Å; T646-V650 VanDerWaalsContact OG1-O 3.1Å
651	K	98.4	Very high	97.1	Very high	98 Å²	98	51 Å²	51	43%	0.426	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.7	177	-178.7	-174.1	169	-157.1	0	110.1	K624 A625 L653 D700	K624-K651 CarbonylContact C-O 3.5Å; K624-K651 VanDerWaalsContact CA-O 3.22Å; K624-K651 WeakPolarHBondContact CA-O 3.22Å; A625-K651 PolarHBondContact N-O 3.38Å; A625-K651 PolarHBondContact O-N 2.87Å; K651-L653 HydrophobicContact CD-CD2 3.88Å; K651-L653 HydrophobicContact CG-CD2 4.09Å; K651-L653 PolarHBondContact O-N 2.79Å; K651-D700 IonicContact NZ-OD2 2.7Å; K651-D700 PolarHBondContact NZ-OD2 2.88Å
652	L	98.3	Very high	97	Very high	40 Å²	40	51.1 Å²	51.1	21%	0.209	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	106.4	175.5	-178.7	67.8	0	0	0	109.4	Q622 K624 T643 D645 W654 K655	Q622-L652 HydrophobicContact CB-CD1 3.94Å; Q622-L652 HydrophobicContact CG-CD1 4.27Å; K624-L652 HydrophobicContact CG-CD1 3.88Å; T643-L652 HydrophobicContact CG2-CD2 4.34Å; D645-L652 PolarHBondContact OD1-N 2.85Å; L652-W654 WeakPolarHBondContact CD1-O 3.36Å; L652-K655 HydrophobicContact CD1-CB 4.43Å; L652-K655 HydrophobicContact CD2-CB 4.21Å; L652-K655 HydrophobicContact CD2-CD 4.5Å
653	L	98.2	Very high	97	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-39.6	-179.5	-57.3	-176.4	0	0	0	111.7	Y596 L623 A625 K651 I681 I698 D700	Y596-L653 HydrophobicContact CD1-CD1 3.96Å; Y596-L653 HydrophobicContact CE1-CD1 3.93Å; L623-L653 HydrophobicContact CD2-CB 4.17Å; L623-L653 HydrophobicContact CD2-CD1 4.26Å; L623-L653 HydrophobicContact CG-CB 4.11Å; L623-L653 HydrophobicContact CG-CD1 4.18Å; L623-L653 PolarHBondContact O-N 3.15Å; A625-L653 HydrophobicContact CB-CD1 4.05Å; A625-L653 HydrophobicContact CB-CD2 4.21Å; A625-L653 HydrophobicContact CB-CG 4.17Å; K651-L653 HydrophobicContact CD-CD2 3.88Å; K651-L653 HydrophobicContact CG-CD2 4.09Å; K651-L653 PolarHBondContact O-N 2.79Å; L653-I681 HydrophobicContact CD1-CD1 4.45Å; L653-I698 HydrophobicContact CB-CG2 4.2Å; L653-I698 HydrophobicContact CD1-CG2 4.33Å; L653-D700 HydrophobicContact CD1-CB 3.89Å; L653-D700 HydrophobicContact CD2-CB 4.29Å; L653-D700 VanDerWaalsContact CD2-OD2 3.29Å; L653-D700 WeakPolarHBondContact CD2-OD2 3.35Å
654	W	98.5	Very high	97	Very high	46 Å²	46	55.5 Å²	55.5	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	150.6	-179.7	178	96.8	0	0	0	111.3	I621 L623 L652 D656 A693 T695 I698	I621-W654 HydrophobicContact CB-CH2 4.48Å; I621-W654 HydrophobicContact CB-CZ3 3.92Å; I621-W654 HydrophobicContact CG2-CZ3 3.84Å; I621-W654 WeakPolarHBondContact O-CZ3 3.27Å; L623-W654 HydrophobicContact CB-CB 4.21Å; L623-W654 PolarHBondContact N-O 3.01Å; L623-W654 PolarHBondContact O-N 3.24Å; L652-W654 WeakPolarHBondContact CD1-O 3.36Å; W654-D656 VanDerWaalsContact CH2-CA 3.44Å; W654-D656 HydrophobicContact CH2-CB 3.57Å; W654-D656 HydrophobicContact CZ2-CB 4.22Å; W654-D656 HydrophobicContact CZ3-CB 4.06Å; W654-A693 HydrophobicContact CH2-CB 4.21Å; W654-T695 HydrophobicContact CD2-CG2 3.7Å; W654-T695 HydrophobicContact CE3-CG2 3.72Å; W654-T695 HydrophobicContact CG-CG2 4.11Å; W654-T695 HydrophobicContact CH2-CG2 4.37Å; W654-T695 HydrophobicContact CZ2-CG2 4.38Å; W654-T695 HydrophobicContact CZ3-CG2 4.06Å; W654-T695 PolarHBondContact NE1-O 3.1Å; W654-I698 HydrophobicContact CB-CD1 4.08Å; W654-I698 HydrophobicContact CB-CG1 4.41Å; W654-I698 HydrophobicContact CG-CD1 4.48Å
655	K	97.5	Very high	96.9	Very high	48 Å²	48	60.2 Å²	60.2	21%	0.209	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.6	172.5	176.9	169.3	-175.1	-87.8	0	110.4	E618 I621 Q622 T643 L652 A657 N659	E618-K655 WeakPolarHBondContact OE2-CE 3.23Å; E618-K655 IonicContact OE2-NZ 2.72Å; E618-K655 PolarHBondContact OE2-NZ 3.34Å; I621-K655 WeakPolarHBondContact O-CA 3.47Å; Q622-K655 HydrophobicContact CG-CD 4.38Å; Q622-K655 HydrophobicContact CG-CG 4.28Å; T643-K655 HydrophobicContact CG2-CD 3.49Å; T643-K655 VanDerWaalsContact CG2-CD 3.49Å; L652-K655 HydrophobicContact CD1-CB 4.43Å; L652-K655 HydrophobicContact CD2-CB 4.21Å; L652-K655 HydrophobicContact CD2-CD 4.5Å; K655-A657 PolarHBondContact O-N 3.09Å; K655-A657 VanDerWaalsContact O-N 3.12Å; K655-N659 PolarHBondContact NZ-OD1 2.98Å
656	D	97.1	Very high	96.9	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.037	30%	0.303	C	S	.	.			trans	-61.4	115.6	174.2	-174.3	2	0	0	0	110.9	I621 W654 R658 N659	I621-D656 HydrophobicContact CB-CB 4.4Å; I621-D656 PolarHBondContact O-N 2.82Å; W654-D656 VanDerWaalsContact CH2-CA 3.44Å; W654-D656 HydrophobicContact CH2-CB 3.57Å; W654-D656 HydrophobicContact CZ2-CB 4.22Å; W654-D656 HydrophobicContact CZ3-CB 4.06Å; D656-R658 PolarHBondContact O-N 3.13Å; D656-R658 VanDerWaalsContact O-N 3.16Å; D656-R658 WeakPolarHBondContact OD1-CB 3.15Å; D656-R658 WeakPolarHBondContact OD1-CG 3.18Å; D656-R658 PolarHBondContact OD1-N 3.26Å; D656-R658 IonicContact OD1-NE 3.2Å; D656-R658 PolarHBondContact OD1-NE 3.21Å; D656-R658 VanDerWaalsContact OD1-NE 3.11Å; D656-R658 IonicContact OD2-CZ 3.68Å; D656-R658 VanDerWaalsContact OD2-CZ 3.22Å; D656-R658 IonicContact OD2-NE 3.57Å; D656-R658 PolarHBondContact OD2-NE 3.2Å; D656-R658 IonicContact OD2-NH2 2.78Å; D656-R658 PolarHBondContact OD2-NH2 2.83Å; D656-N659 PolarHBondContact O-N 3.07Å; D656-N659 VanDerWaalsContact O-N 3.08Å
657	A	94.8	Very high	96.9	Very high	103 Å²	103	56.1 Å²	56.1	85%	0.851	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.1	179.3	0	0	0	0	0	113.3	K655 N659	K655-A657 PolarHBondContact O-N 3.09Å; K655-A657 VanDerWaalsContact O-N 3.12Å; A657-N659 VanDerWaalsContact C-N 3.3Å
658	R	94.8	Very high	97.1	Very high	111 Å²	111	51 Å²	51	42%	0.419	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.5	176.9	-55.7	173.8	-58.8	150.8	10.1	112.1	D656 V660 V692	D656-R658 PolarHBondContact O-N 3.13Å; D656-R658 VanDerWaalsContact O-N 3.16Å; D656-R658 WeakPolarHBondContact OD1-CB 3.15Å; D656-R658 WeakPolarHBondContact OD1-CG 3.18Å; D656-R658 PolarHBondContact OD1-N 3.26Å; D656-R658 IonicContact OD1-NE 3.2Å; D656-R658 PolarHBondContact OD1-NE 3.21Å; D656-R658 VanDerWaalsContact OD1-NE 3.11Å; D656-R658 IonicContact OD2-CZ 3.68Å; D656-R658 VanDerWaalsContact OD2-CZ 3.22Å; D656-R658 IonicContact OD2-NE 3.57Å; D656-R658 PolarHBondContact OD2-NE 3.2Å; D656-R658 IonicContact OD2-NH2 2.78Å; D656-R658 PolarHBondContact OD2-NH2 2.83Å; R658-V660 VanDerWaalsContact C-N 3.29Å; R658-V660 HydrophobicContact CB-CG2 3.9Å; R658-V660 PolarHBondContact O-N 3.02Å; R658-V692 PolarHBondContact NE-O 2.92Å; R658-V692 PolarHBondContact NH1-O 3.23Å; R658-V692 PolarHBondContact NH2-O 3.12Å; R658-V692 VanDerWaalsContact NH2-O 3.15Å
659	N	96.1	Very high	97.2	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	24%	0.238	S	C	.	.			trans	55.6	42.3	179.5	-159.7	60.8	0	0	0	112.7	P619 K655 D656 A657	P619-N659 PolarHBondContact O-OD1 2.73Å; K655-N659 PolarHBondContact NZ-OD1 2.98Å; D656-N659 PolarHBondContact O-N 3.07Å; D656-N659 VanDerWaalsContact O-N 3.08Å; A657-N659 VanDerWaalsContact C-N 3.3Å
660	V	96.5	Very high	97.2	Very high	67 Å²	67	45.7 Å²	45.7	41%	0.406	24%	0.235	S	C	.	.			trans	-104.7	120.3	-176.8	177.9	0	0	0	0	109.2	W600 G620 R658	W600-V660 PolarHBondContact NE1-O 3.17Å; G620-V660 VanDerWaalsContact CA-O 3.25Å; G620-V660 WeakPolarHBondContact CA-O 3.49Å; R658-V660 VanDerWaalsContact C-N 3.29Å; R658-V660 HydrophobicContact CB-CG2 3.9Å; R658-V660 PolarHBondContact O-N 3.02Å
661	G	96.7	Very high	97.2	Very high	12 Å²	12	47.6 Å²	47.6	12%	0.124	24%	0.243	C	C	.	.			trans	-70.5	163.8	173	0	0	0	0	0	113.4	K601 Q602	K601-G661 WeakPolarHBondContact O-CA 3.36Å; Q602-G661 WeakPolarHBondContact O-CA 2.8Å
662	W	97.1	Very high	97.2	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.015	22%	0.223	C	C	.	.			trans	-65.3	156.7	171.3	50.3	-103.1	0	0	0	110.8	F572 V574 D581 W600 Q602 Y668 Q715	F572-W662 HydrophobicContact CE1-CB 3.75Å; F572-W662 AromaticContact CE1-CG 3.91Å; F572-W662 HydrophobicContact CE1-CG 3.91Å; F572-W662 HydrophobicContact CZ-CB 4.4Å; F572-W662 AromaticContact CZ-CD1 3.98Å; F572-W662 HydrophobicContact CZ-CD2 4.47Å; F572-W662 HydrophobicContact CZ-CG 4.07Å; V574-W662 HydrophobicContact CB-CE3 4.29Å; V574-W662 HydrophobicContact CB-CH2 4.45Å; V574-W662 HydrophobicContact CB-CZ3 4.05Å; V574-W662 HydrophobicContact CG1-CH2 4.09Å; V574-W662 HydrophobicContact CG1-CZ3 4.03Å; V574-W662 HydrophobicContact CG2-CD2 4.3Å; V574-W662 HydrophobicContact CG2-CE3 4.15Å; V574-W662 HydrophobicContact CG2-CH2 4.35Å; V574-W662 HydrophobicContact CG2-CZ2 4.44Å; V574-W662 HydrophobicContact CG2-CZ3 4.19Å; D581-W662 WeakPolarHBondContact O-CZ2 3.46Å; D581-W662 PolarHBondContact O-NE1 2.86Å; W600-W662 HydrophobicContact CD2-CB 3.84Å; W600-W662 AromaticContact CD2-CD1 3.97Å; W600-W662 HydrophobicContact CD2-CG 4.35Å; W600-W662 VanDerWaalsContact CE2-N 3.34Å; W600-W662 HydrophobicContact CE3-CB 3.9Å; W600-W662 HydrophobicContact CG-CB 4.5Å; W600-W662 AromaticContact CG-CD1 3.75Å; W600-W662 HydrophobicContact CH2-CB 4.02Å; W600-W662 HydrophobicContact CZ2-CB 3.96Å; W600-W662 HydrophobicContact CZ3-CB 3.98Å; W600-W662 PolarHBondContact O-NE1 2.89Å; W600-W662 VanDerWaalsContact O-NE1 3.08Å; Q602-W662 HydrophobicContact CB-CD2 3.71Å; Q602-W662 VanDerWaalsContact CB-CE2 3.5Å; Q602-W662 HydrophobicContact CB-CE3 4Å; Q602-W662 HydrophobicContact CB-CG 4.32Å; Q602-W662 HydrophobicContact CB-CH2 3.85Å; Q602-W662 HydrophobicContact CB-CZ2 3.58Å; Q602-W662 HydrophobicContact CB-CZ3 4.06Å; Q602-W662 HydrophobicContact CG-CD2 4.42Å; Q602-W662 HydrophobicContact CG-CE3 4.3Å; Q602-W662 HydrophobicContact CG-CH2 4.49Å; Q602-W662 HydrophobicContact CG-CZ3 4.34Å; Q602-W662 VanDerWaalsContact CG-O 3.27Å; Q602-W662 WeakPolarHBondContact CG-O 3.21Å; Q602-W662 PolarHBondContact NE2-O 3.19Å; W662-Y668 HydrophobicContact CB-CE2 4.04Å; W662-Q715 VanDerWaalsContact CZ2-OE1 3.32Å
663	K	97.2	Very high	97.2	Very high	94 Å²	94	41.8 Å²	41.8	41%	0.409	22%	0.217	S	C	.	.			trans	-104.4	145.4	178.3	-62.5	169.8	-165	159.9	0	109.9	T666 Y668 E687	K663-T666 HydrophobicContact CB-CG2 4.45Å; K663-T666 WeakPolarHBondContact CB-OG1 3.4Å; K663-T666 WeakPolarHBondContact O-CB 3.13Å; K663-T666 PolarHBondContact O-N 2.77Å; K663-Y668 WeakPolarHBondContact CB-OH 3.35Å; K663-Y668 WeakPolarHBondContact CG-OH 3.41Å; K663-Y668 PolarHBondContact N-OH 3.37Å; K663-Y668 VanDerWaalsContact N-OH 3.08Å; K663-E687 IonicContact NZ-OE1 2.62Å; K663-E687 PolarHBondContact NZ-OE1 2.65Å; K663-E687 IonicContact NZ-OE2 3.6Å; K663-E687 PolarHBondContact NZ-OE2 2.86Å
664	D	97.1	Very high	97.2	Very high	61 Å²	61	40.6 Å²	40.6	33%	0.326	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	139.4	174.3	-52.5	-21.4	0	0	0	110.9	V577 Q602 T666	V577-D664 HydrophobicContact CG1-CB 4.01Å; Q602-D664 PolarHBondContact NE2-OD1 3.18Å; D664-T666 PolarHBondContact O-N 3.46Å; D664-T666 PolarHBondContact O-OG1 3.16Å
665	K	96.1	Very high	97.1	Very high	115 Å²	115	38.6 Å²	38.6	50%	0.5	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	39.5	174.2	-56.8	-166.2	170.7	-134.9	0	113.6	H573 V574 N575	H573-K665 VanDerWaalsContact CE1-C 3.41Å; V574-K665 WeakPolarHBondContact O-CA 3.37Å; V574-K665 PolarHBondContact O-N 2.79Å; N575-K665 PolarHBondContact OD1-NZ 3.07Å
666	T	97.1	Very high	97	Very high	34 Å²	34	36.4 Å²	36.4	21%	0.209	19%	0.193	C	C	.	.			trans	-124.1	128.1	-179.5	-57.2	0	0	0	0	108.9	K663 D664 Y668 E687	K663-T666 HydrophobicContact CB-CG2 4.45Å; K663-T666 WeakPolarHBondContact CB-OG1 3.4Å; K663-T666 WeakPolarHBondContact O-CB 3.13Å; K663-T666 PolarHBondContact O-N 2.77Å; D664-T666 PolarHBondContact O-N 3.46Å; D664-T666 PolarHBondContact O-OG1 3.16Å; T666-Y668 HydrophobicContact CG2-CE1 4.2Å; T666-Y668 HydrophobicContact CG2-CE2 3.79Å; T666-Y668 VanDerWaalsContact O-CD2 3.3Å; T666-Y668 WeakPolarHBondContact O-CD2 3.21Å; T666-Y668 WeakPolarHBondContact O-CE2 3.27Å; T666-E687 HydrophobicContact CG2-CG 4.29Å
667	S	97.7	Very high	96.6	Very high	8 Å²	8	40 Å²	40	6%	0.056	21%	0.21	C	C	.	.			trans	-86	137.2	178.1	-61.5	0	0	0	0	112.2	D253 P278 H573	D253-S667 VanDerWaalsContact CA-OG 3.24Å; D253-S667 WeakPolarHBondContact CA-OG 3.47Å; D253-S667 WeakPolarHBondContact O-CB 3.49Å; D253-S667 PolarHBondContact O-OG 2.97Å; P278-S667 WeakPolarHBondContact CG-OG 3.46Å; H573-S667 PolarHBondContact ND1-OG 2.93Å
668	Y	98.2	Very high	96.4	Very high	3 Å²	3	38 Å²	38	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.2	174.9	-58.6	-86.3	0	0	0	109.4	T571 F572 W600 W662 K663 T666 Y686 E687	T571-Y668 CarbonylContact C-O 3.58Å; T571-Y668 WeakPolarHBondContact CA-O 3.38Å; F572-Y668 AromaticContact CD1-CD2 3.81Å; F572-Y668 HydrophobicContact CD1-CD2 3.81Å; F572-Y668 HydrophobicContact CD1-CG 4.43Å; F572-Y668 HydrophobicContact CE1-CD2 4.23Å; F572-Y668 PolarHBondContact N-O 3.08Å; F572-Y668 PolarHBondContact O-N 3.42Å; W600-Y668 AromaticContact CH2-CD1 3.62Å; W600-Y668 HydrophobicContact CH2-CD1 3.62Å; W600-Y668 HydrophobicContact CH2-CD2 4.02Å; W600-Y668 AromaticContact CH2-CE1 3.53Å; W600-Y668 HydrophobicContact CH2-CE1 3.53Å; W600-Y668 AromaticContact CH2-CE2 3.93Å; W600-Y668 HydrophobicContact CH2-CE2 3.93Å; W600-Y668 AromaticContact CH2-CG 3.85Å; W600-Y668 HydrophobicContact CH2-CG 3.85Å; W600-Y668 AromaticContact CH2-CZ 3.68Å; W600-Y668 AromaticContact CZ3-CD1 3.83Å; W600-Y668 HydrophobicContact CZ3-CD1 3.83Å; W600-Y668 AromaticContact CZ3-CD2 3.69Å; W600-Y668 HydrophobicContact CZ3-CD2 3.69Å; W600-Y668 HydrophobicContact CZ3-CE1 4.15Å; W600-Y668 AromaticContact CZ3-CE2 4Å; W600-Y668 HydrophobicContact CZ3-CE2 4Å; W600-Y668 AromaticContact CZ3-CG 3.58Å; W600-Y668 HydrophobicContact CZ3-CG 3.58Å; W662-Y668 HydrophobicContact CB-CE2 4.04Å; K663-Y668 WeakPolarHBondContact CB-OH 3.35Å; K663-Y668 WeakPolarHBondContact CG-OH 3.41Å; K663-Y668 PolarHBondContact N-OH 3.37Å; K663-Y668 VanDerWaalsContact N-OH 3.08Å; T666-Y668 HydrophobicContact CG2-CE1 4.2Å; T666-Y668 HydrophobicContact CG2-CE2 3.79Å; T666-Y668 VanDerWaalsContact O-CD2 3.3Å; T666-Y668 WeakPolarHBondContact O-CD2 3.21Å; T666-Y668 WeakPolarHBondContact O-CE2 3.27Å; Y668-Y686 CarbonylContact C-O 3.52Å; Y668-Y686 WeakPolarHBondContact CA-O 3.49Å; Y668-E687 HydrophobicContact CD1-CB 3.84Å; Y668-E687 HydrophobicContact CD1-CG 4.13Å; Y668-E687 HydrophobicContact CE1-CB 3.77Å; Y668-E687 HydrophobicContact CE1-CG 3.69Å
669	R	98.2	Very high	96.4	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.045	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.2	172.1	-171.2	150.5	-175	98.9	-5.7	110.4	V239 I254 E569 G570 T571 F685 Y686 N722	V239-R669 HydrophobicContact CG1-CB 3.71Å; V239-R669 HydrophobicContact CG1-CG 4.28Å; I254-R669 HydrophobicContact CD1-CB 4.37Å; I254-R669 HydrophobicContact CG2-CB 4.07Å; I254-R669 HydrophobicContact CG2-CG 4.49Å; E569-R669 IonicContact OE1-NH2 3.26Å; E569-R669 PolarHBondContact OE1-NH2 3.15Å; E569-R669 IonicContact OE2-CZ 2.73Å; E569-R669 IonicContact OE2-NE 2.55Å; E569-R669 PolarHBondContact OE2-NE 2.73Å; E569-R669 IonicContact OE2-NH2 3.31Å; E569-R669 PolarHBondContact OE2-NH2 3.4Å; G570-R669 WeakPolarHBondContact O-CA 3.42Å; T571-R669 PolarHBondContact OG1-NH1 3.17Å; T571-R669 VanDerWaalsContact OG1-NH1 3.1Å; R669-F685 CarbonylContact O-C 3.39Å; R669-F685 WeakPolarHBondContact O-CA 3.4Å; R669-Y686 PolarHBondContact N-O 3.35Å; R669-Y686 PolarHBondContact O-N 3.28Å; R669-N722 PolarHBondContact NH1-ND2 3.32Å; R669-N722 PolarHBondContact NH1-O 3.12Å; R669-N722 VanDerWaalsContact NH1-O 3.14Å; R669-N722 PolarHBondContact NH2-O 2.74Å
670	W	98.4	Very high	96.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	154.2	171.4	75.3	80.8	0	0	0	110.7	F568 E569 G570 F572 F585 R684 F685 W720 L723	F568-W670 AromaticContact CD1-NE1 3.95Å; F568-W670 HydrophobicContact CE1-CZ2 4.18Å; F568-W670 AromaticContact CE1-NE1 3.99Å; F568-W670 HydrophobicContact CZ-CZ2 4.01Å; E569-W670 VanDerWaalsContact CA-O 3.29Å; E569-W670 WeakPolarHBondContact CA-O 3.38Å; E569-W670 WeakPolarHBondContact CB-O 3.33Å; G570-W670 VanDerWaalsContact C-CZ3 3.43Å; G570-W670 VanDerWaalsContact CA-CZ2 3.48Å; G570-W670 PolarHBondContact N-O 3.08Å; G570-W670 VanDerWaalsContact O-CD2 3.31Å; G570-W670 PolarHBondContact O-N 2.92Å; F572-W670 HydrophobicContact CB-CE3 3.78Å; F572-W670 HydrophobicContact CB-CZ3 3.69Å; F585-W670 HydrophobicContact CB-CZ2 4.48Å; F585-W670 AromaticContact CD1-CD1 3.92Å; F585-W670 AromaticContact CD1-CD2 3.69Å; F585-W670 HydrophobicContact CD1-CD2 3.69Å; F585-W670 AromaticContact CD1-CE2 3.68Å; F585-W670 HydrophobicContact CD1-CE3 4.25Å; F585-W670 AromaticContact CD1-CG 3.87Å; F585-W670 HydrophobicContact CD1-CG 3.87Å; F585-W670 HydrophobicContact CD1-CZ2 4.27Å; F585-W670 AromaticContact CD1-NE1 3.79Å; F585-W670 HydrophobicContact CE1-CB 3.82Å; F585-W670 AromaticContact CE1-CD1 3.37Å; F585-W670 AromaticContact CE1-CD2 3.69Å; F585-W670 HydrophobicContact CE1-CD2 3.69Å; F585-W670 AromaticContact CE1-CE2 3.95Å; F585-W670 HydrophobicContact CE1-CE3 4.47Å; F585-W670 AromaticContact CE1-CG 3.33Å; F585-W670 HydrophobicContact CE1-CG 3.33Å; F585-W670 AromaticContact CE1-NE1 3.72Å; F585-W670 HydrophobicContact CG-CZ2 4.45Å; F585-W670 HydrophobicContact CZ-CB 4.37Å; F585-W670 AromaticContact CZ-CD1 3.49Å; F585-W670 VanDerWaalsContact CZ-CD1 3.49Å; F585-W670 AromaticContact CZ-CG 3.9Å; F585-W670 HydrophobicContact CZ-CG 3.9Å; F585-W670 AromaticContact CZ-NE1 3.93Å; W670-R684 CarbonylContact C-O 3.32Å; W670-R684 VanDerWaalsContact CA-O 3.27Å; W670-R684 WeakPolarHBondContact CA-O 3.38Å; W670-F685 HydrophobicContact CB-CD1 3.99Å; W670-F685 HydrophobicContact CB-CE1 3.69Å; W670-F685 HydrophobicContact CB-CE2 4.43Å; W670-F685 HydrophobicContact CB-CG 4.49Å; W670-F685 HydrophobicContact CB-CZ 3.93Å; W670-W720 HydrophobicContact CH2-CB 4.08Å; W670-W720 AromaticContact CH2-CD1 3.45Å; W670-W720 VanDerWaalsContact CH2-CD1 3.45Å; W670-W720 HydrophobicContact CH2-CG 4.14Å; W670-W720 AromaticContact CZ3-CD1 3.72Å; W670-L723 HydrophobicContact CH2-CD2 3.59Å; W670-L723 HydrophobicContact CZ2-CD2 3.54Å
671	F	97.9	Very high	96.5	Very high	43 Å²	43	26.6 Å²	26.6	19%	0.189	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	110.6	172.4	-170.6	-95.1	0	0	0	108.6	D567 E569 Q673 V683 R684	D567-F671 HydrophobicContact CB-CZ 4.27Å; E569-F671 HydrophobicContact CB-CD2 3.78Å; E569-F671 HydrophobicContact CB-CE2 4.49Å; E569-F671 HydrophobicContact CG-CD2 4.23Å; F671-Q673 HydrophobicContact CD1-CG 3.88Å; F671-Q673 HydrophobicContact CE1-CG 3.37Å; F671-Q673 HydrophobicContact CZ-CG 4.29Å; F671-V683 CarbonylContact O-C 3.53Å; F671-V683 WeakPolarHBondContact O-CA 3.33Å; F671-R684 HydrophobicContact CB-CB 4.45Å; F671-R684 PolarHBondContact N-O 2.91Å; F671-R684 PolarHBondContact O-N 2.72Å
672	L	98.5	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.9	174.5	169.1	70.3	0	0	0	109.2	D567 F568 F585 F587 I681 R682 V683	D567-L672 CarbonylContact C-O 3.49Å; D567-L672 VanDerWaalsContact CA-O 3.27Å; D567-L672 WeakPolarHBondContact CA-O 3.38Å; F568-L672 HydrophobicContact CB-CB 4.28Å; F568-L672 HydrophobicContact CB-CD2 4.14Å; F568-L672 HydrophobicContact CD1-CD2 4.46Å; F568-L672 PolarHBondContact N-O 3.5Å; F568-L672 WeakPolarHBondContact O-CA 3.36Å; F568-L672 VanDerWaalsContact O-CB 3.31Å; F568-L672 WeakPolarHBondContact O-CB 3.42Å; F568-L672 PolarHBondContact O-N 2.79Å; F585-L672 HydrophobicContact CE2-CB 4.1Å; F585-L672 HydrophobicContact CE2-CD2 4.12Å; F585-L672 HydrophobicContact CZ-CB 4.35Å; F587-L672 HydrophobicContact CB-CD2 3.46Å; F587-L672 VanDerWaalsContact CB-CD2 3.46Å; F587-L672 HydrophobicContact CD1-CD1 4.09Å; F587-L672 HydrophobicContact CD1-CD2 3.55Å; F587-L672 HydrophobicContact CD1-CG 4.49Å; F587-L672 HydrophobicContact CD2-CD1 4.34Å; F587-L672 HydrophobicContact CD2-CD2 3.85Å; F587-L672 HydrophobicContact CE1-CD1 3.88Å; F587-L672 HydrophobicContact CE1-CD2 4.21Å; F587-L672 HydrophobicContact CE2-CD1 4.14Å; F587-L672 HydrophobicContact CE2-CD2 4.46Å; F587-L672 HydrophobicContact CG-CD1 4.31Å; F587-L672 HydrophobicContact CG-CD2 3.34Å; F587-L672 HydrophobicContact CG-CG 4.48Å; F587-L672 HydrophobicContact CZ-CD1 3.9Å; L672-I681 HydrophobicContact CD1-CG2 4.25Å; L672-R682 CarbonylContact C-O 3.46Å; L672-R682 WeakPolarHBondContact CA-O 3.45Å; L672-V683 HydrophobicContact CD1-CG2 3.7Å
673	Q	97.8	Very high	96.6	Very high	17 Å²	17	28 Å²	28	8%	0.079	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.5	163.1	-55.6	-177.3	-80.7	0	0	108.5	D567 F671 Y680 I681 R682	D567-Q673 WeakPolarHBondContact OD1-CG 3.36Å; F671-Q673 HydrophobicContact CD1-CG 3.88Å; F671-Q673 HydrophobicContact CE1-CG 3.37Å; F671-Q673 HydrophobicContact CZ-CG 4.29Å; Q673-Y680 HydrophobicContact CB-CE1 4.01Å; Q673-I681 WeakPolarHBondContact O-CA 3.47Å; Q673-R682 PolarHBondContact N-O 3.3Å; Q673-R682 PolarHBondContact O-N 3.12Å
674	H	97.7	Very high	96.6	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.1	178.7	-174.4	-143.2	0	0	0	110	V566 F587 Y596 Y680	V566-H674 HydrophobicContact CG1-CB 4.11Å; V566-H674 PolarHBondContact N-O 2.6Å; V566-H674 PolarHBondContact O-N 2.96Å; F587-H674 HydrophobicContact CD2-CB 4.2Å; F587-H674 AromaticContact CD2-CG 3.85Å; F587-H674 AromaticContact CD2-ND1 3.72Å; F587-H674 HydrophobicContact CE2-CB 4.35Å; F587-H674 AromaticContact CE2-CD2 3.99Å; F587-H674 AromaticContact CE2-CG 3.92Å; Y596-H674 AromaticContact CE2-NE2 3.89Å; H674-Y680 CarbonylContact C-O 3.59Å; H674-Y680 WeakPolarHBondContact CA-O 3.25Å; H674-Y680 PolarHBondContact CD2-O 2.99Å
675	R	96.8	Very high	96.6	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.019	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	86.1	171.6	-47.4	-69.4	178.2	-91.2	2.9	108.4	V566 D567 Q677 D678 G679 Y680 N728 T730	V566-R675 PolarHBondContact O-NH1 2.91Å; V566-R675 VanDerWaalsContact O-NH1 3.08Å; D567-R675 IonicContact OD1-CZ 2.77Å; D567-R675 VanDerWaalsContact OD1-CZ 3.26Å; D567-R675 IonicContact OD1-NH1 3.26Å; D567-R675 PolarHBondContact OD1-NH1 3Å; D567-R675 IonicContact OD1-NH2 3.42Å; D567-R675 PolarHBondContact OD1-NH2 2.89Å; D567-R675 IonicContact OD2-NH2 3.2Å; D567-R675 PolarHBondContact OD2-NH2 3.06Å; R675-Q677 VanDerWaalsContact C-N 3.27Å; R675-Q677 PolarHBondContact O-N 3.19Å; R675-D678 PolarHBondContact O-N 3.19Å; R675-G679 CarbonylContact O-C 3.51Å; R675-G679 PolarHBondContact O-N 2.77Å; R675-Y680 HydrophobicContact CG-CD1 4.37Å; R675-Y680 PolarHBondContact N-O 3.45Å; R675-Y680 PolarHBondContact O-N 2.94Å; R675-N728 WeakPolarHBondContact CD-O 3.32Å; R675-N728 PolarHBondContact NE-O 2.78Å; R675-N728 PolarHBondContact NH1-O 2.94Å; R675-N728 PolarHBondContact NH2-ND2 3.47Å; R675-T730 PolarHBondContact NE-O 2.83Å
676	P	94.4	Very high	96.7	Very high	1 Å²	1	20 Å²	20	1%	0.006	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.6	-173	23	-33.2	0	0	0	114.2	N564 D678 G679 R704	N564-P676 WeakPolarHBondContact O-CD 3.3Å; N564-P676 WeakPolarHBondContact O-CG 3.42Å; P676-D678 PolarHBondContact O-N 3.38Å; P676-D678 VanDerWaalsContact O-N 3.14Å; P676-G679 PolarHBondContact O-N 3.03Å; P676-R704 VanDerWaalsContact CB-CA 3.42Å; P676-R704 HydrophobicContact CB-CB 4.14Å; P676-R704 WeakPolarHBondContact CB-O 3.3Å
677	Q	90.2	Very high	96.6	Very high	83 Å²	83	21.4 Å²	21.4	39%	0.388	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-39.1	175.1	-62.2	-63.2	-14.5	0	0	112.1	I434 R675	I434-Q677 PolarHBondContact O-NE2 2.94Å; I434-Q677 VanDerWaalsContact O-NE2 3.09Å; R675-Q677 VanDerWaalsContact C-N 3.27Å; R675-Q677 PolarHBondContact O-N 3.19Å
678	D	90.9	Very high	96.2	Very high	60 Å²	60	21.9 Å²	21.9	32%	0.321	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-2.2	175.8	-67.6	-79.9	0	0	0	113.7	R675 P676 Y680 I731 F735	R675-D678 PolarHBondContact O-N 3.19Å; P676-D678 PolarHBondContact O-N 3.38Å; P676-D678 VanDerWaalsContact O-N 3.14Å; D678-Y680 VanDerWaalsContact C-N 3.3Å; D678-Y680 PolarHBondContact O-N 2.69Å; D678-I731 WeakPolarHBondContact OD2-CD1 3.24Å; D678-F735 HydrophobicContact CB-CE1 3.94Å; D678-F735 HydrophobicContact CB-CZ 3.78Å
679	G	93	Very high	95.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	19.6	-173.6	0	0	0	0	0	115	R675 P676 I681 I699 D700	R675-G679 CarbonylContact O-C 3.51Å; R675-G679 PolarHBondContact O-N 2.77Å; P676-G679 PolarHBondContact O-N 3.03Å; G679-I681 PolarHBondContact O-N 2.97Å; G679-I699 VanDerWaalsContact O-CA 3.27Å; G679-I699 WeakPolarHBondContact O-CA 3.37Å; G679-D700 CarbonylContact C-O 3.48Å; G679-D700 WeakPolarHBondContact CA-O 3.47Å; G679-D700 PolarHBondContact O-N 2.65Å
680	Y	96.6	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.4	179.9	-179.4	-82	0	0	0	110.3	Q673 H674 R675 D678 R682 I697 P732 D734 F735	Q673-Y680 HydrophobicContact CB-CE1 4.01Å; H674-Y680 CarbonylContact C-O 3.59Å; H674-Y680 WeakPolarHBondContact CA-O 3.25Å; H674-Y680 PolarHBondContact CD2-O 2.99Å; R675-Y680 HydrophobicContact CG-CD1 4.37Å; R675-Y680 PolarHBondContact N-O 3.45Å; R675-Y680 PolarHBondContact O-N 2.94Å; D678-Y680 VanDerWaalsContact C-N 3.3Å; D678-Y680 PolarHBondContact O-N 2.69Å; Y680-R682 HydrophobicContact CE1-CB 3.68Å; Y680-R682 WeakPolarHBondContact OH-CD 3.35Å; Y680-I697 HydrophobicContact CD2-CG2 3.89Å; Y680-I697 HydrophobicContact CE2-CB 4.39Å; Y680-I697 HydrophobicContact CE2-CD1 4.06Å; Y680-I697 HydrophobicContact CE2-CG1 3.72Å; Y680-I697 HydrophobicContact CE2-CG2 3.89Å; Y680-P732 HydrophobicContact CD1-CG 4.38Å; Y680-P732 HydrophobicContact CE1-CB 4.47Å; Y680-P732 HydrophobicContact CE1-CG 3.78Å; Y680-P732 HydrophobicContact CE2-CB 4.33Å; Y680-P732 HydrophobicContact CE2-CG 4.35Å; Y680-D734 PolarHBondContact OH-OD1 2.78Å; Y680-D734 PolarHBondContact OH-OD2 3.11Å; Y680-F735 HydrophobicContact CD2-CB 4.18Å; Y680-F735 AromaticContact CD2-CD2 3.54Å; Y680-F735 HydrophobicContact CD2-CD2 3.54Å; Y680-F735 HydrophobicContact CD2-CE2 4.15Å; Y680-F735 HydrophobicContact CD2-CG 4.11Å; Y680-F735 HydrophobicContact CE2-CB 4.17Å; Y680-F735 HydrophobicContact CE2-CD2 4.15Å
681	I	98.1	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.9	171.7	-60.1	164.8	0	0	0	108.7	F587 Y596 L623 L653 L672 Q673 G679 V683 I698 D700	F587-I681 HydrophobicContact CE2-CD1 4.13Å; F587-I681 HydrophobicContact CE2-CG1 4.17Å; F587-I681 HydrophobicContact CE2-CG2 4.27Å; F587-I681 HydrophobicContact CZ-CD1 4.22Å; F587-I681 HydrophobicContact CZ-CG1 4.4Å; F587-I681 HydrophobicContact CZ-CG2 3.8Å; Y596-I681 HydrophobicContact CD1-CD1 4.15Å; Y596-I681 HydrophobicContact CE1-CD1 3.79Å; Y596-I681 HydrophobicContact CE2-CD1 4.29Å; L623-I681 HydrophobicContact CD2-CG2 3.82Å; L653-I681 HydrophobicContact CD1-CD1 4.45Å; L672-I681 HydrophobicContact CD1-CG2 4.25Å; Q673-I681 WeakPolarHBondContact O-CA 3.47Å; G679-I681 PolarHBondContact O-N 2.97Å; I681-V683 HydrophobicContact CG2-CG2 4.37Å; I681-I698 HydrophobicContact CB-CB 4.17Å; I681-I698 PolarHBondContact N-O 2.98Å; I681-I698 PolarHBondContact O-N 3.07Å; I681-D700 HydrophobicContact CD1-CB 4.16Å
682	R	97.9	Very high	95.5	Very high	45 Å²	45	35 Å²	35	17%	0.17	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130.5	169.2	-176.5	169.3	-178.3	-163	-2.8	110.8	L672 Q673 Y680 R684 D694 T695 G696 D734	L672-R682 CarbonylContact C-O 3.46Å; L672-R682 WeakPolarHBondContact CA-O 3.45Å; Q673-R682 PolarHBondContact N-O 3.3Å; Q673-R682 PolarHBondContact O-N 3.12Å; Y680-R682 HydrophobicContact CE1-CB 3.68Å; Y680-R682 WeakPolarHBondContact OH-CD 3.35Å; R682-R684 HydrophobicContact CG-CG 4.49Å; R682-D694 IonicContact CZ-OD1 3.98Å; R682-D694 IonicContact CZ-OD2 3.25Å; R682-D694 IonicContact NE-OD1 3.85Å; R682-D694 PolarHBondContact NE-OD1 3.46Å; R682-D694 VanDerWaalsContact NE-OD1 3.1Å; R682-D694 IonicContact NE-OD2 3.29Å; R682-D694 IonicContact NH2-OD1 3.03Å; R682-D694 IonicContact NH2-OD2 3.04Å; R682-D694 PolarHBondContact NH2-OD2 3.13Å; R682-T695 WeakPolarHBondContact CA-OG1 3.26Å; R682-G696 WeakPolarHBondContact CG-O 3.43Å; R682-D734 IonicContact CZ-OD2 3.22Å; R682-D734 IonicContact NH1-OD2 2.7Å; R682-D734 PolarHBondContact NH1-OD2 3.38Å
683	V	98.3	Very high	95.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.7	177.3	-164.5	0	0	0	0	109.8	F585 V598 F671 L672 I681 F685 T695	F585-V683 HydrophobicContact CZ-CG1 3.96Å; V598-V683 HydrophobicContact CG2-CG1 4.48Å; V598-V683 HydrophobicContact CG2-CG2 4.08Å; F671-V683 CarbonylContact O-C 3.53Å; F671-V683 WeakPolarHBondContact O-CA 3.33Å; L672-V683 HydrophobicContact CD1-CG2 3.7Å; I681-V683 HydrophobicContact CG2-CG2 4.37Å; V683-F685 HydrophobicContact CB-CE2 4.48Å; V683-F685 HydrophobicContact CG1-CD2 4.06Å; V683-F685 HydrophobicContact CG1-CE2 3.46Å; V683-F685 VanDerWaalsContact CG1-CE2 3.46Å; V683-F685 HydrophobicContact CG1-CZ 4.25Å; V683-T695 HydrophobicContact CB-CG2 3.78Å; V683-T695 HydrophobicContact CG2-CG2 4.26Å; V683-T695 PolarHBondContact N-OG1 3.04Å; V683-T695 PolarHBondContact O-N 2.96Å; V683-T695 PolarHBondContact O-OG1 2.97Å
684	R	97.8	Very high	95.3	Very high	45 Å²	45	37 Å²	37	17%	0.17	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.5	178.3	-61.8	178.3	-130	150.1	-3	109.6	W670 F671 R682 Y686 L691 A693 D694	W670-R684 CarbonylContact C-O 3.32Å; W670-R684 VanDerWaalsContact CA-O 3.27Å; W670-R684 WeakPolarHBondContact CA-O 3.38Å; F671-R684 HydrophobicContact CB-CB 4.45Å; F671-R684 PolarHBondContact N-O 2.91Å; F671-R684 PolarHBondContact O-N 2.72Å; R682-R684 HydrophobicContact CG-CG 4.49Å; R684-Y686 HydrophobicContact CB-CE2 3.91Å; R684-L691 HydrophobicContact CB-CD1 3.81Å; R684-L691 HydrophobicContact CG-CD1 4.33Å; R684-A693 CarbonylContact C-O 3.59Å; R684-A693 WeakPolarHBondContact CA-O 3.41Å; R684-D694 HydrophobicContact CG-CB 4.41Å
685	F	98.1	Very high	95.3	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.1	177.8	-76.2	-100.8	0	0	0	110.7	F585 V598 W600 I621 R669 W670 V683 L691 V692 A693	F585-F685 HydrophobicContact CE1-CZ 4.07Å; V598-F685 HydrophobicContact CG1-CE2 3.93Å; V598-F685 HydrophobicContact CG1-CZ 3.64Å; W600-F685 HydrophobicContact CE3-CE1 4.44Å; W600-F685 HydrophobicContact CZ3-CD1 4.36Å; I621-F685 HydrophobicContact CD1-CB 4.04Å; I621-F685 HydrophobicContact CD1-CD1 3.98Å; I621-F685 HydrophobicContact CD1-CD2 3.63Å; I621-F685 HydrophobicContact CD1-CE1 4.33Å; I621-F685 HydrophobicContact CD1-CE2 4.01Å; I621-F685 HydrophobicContact CD1-CG 3.61Å; I621-F685 HydrophobicContact CD1-CZ 4.34Å; I621-F685 HydrophobicContact CG1-CE2 4.42Å; I621-F685 HydrophobicContact CG1-CZ 4.47Å; I621-F685 HydrophobicContact CG2-CD2 4.24Å; I621-F685 HydrophobicContact CG2-CE2 3.57Å; I621-F685 HydrophobicContact CG2-CZ 3.88Å; R669-F685 CarbonylContact O-C 3.39Å; R669-F685 WeakPolarHBondContact O-CA 3.4Å; W670-F685 HydrophobicContact CB-CD1 3.99Å; W670-F685 HydrophobicContact CB-CE1 3.69Å; W670-F685 HydrophobicContact CB-CE2 4.43Å; W670-F685 HydrophobicContact CB-CG 4.49Å; W670-F685 HydrophobicContact CB-CZ 3.93Å; V683-F685 HydrophobicContact CB-CE2 4.48Å; V683-F685 HydrophobicContact CG1-CD2 4.06Å; V683-F685 HydrophobicContact CG1-CE2 3.46Å; V683-F685 VanDerWaalsContact CG1-CE2 3.46Å; V683-F685 HydrophobicContact CG1-CZ 4.25Å; F685-L691 WeakPolarHBondContact O-CD1 3.4Å; F685-V692 HydrophobicContact CB-CG2 3.93Å; F685-V692 VanDerWaalsContact O-CG2 3.25Å; F685-V692 WeakPolarHBondContact O-CG2 3.49Å; F685-V692 PolarHBondContact O-N 3.26Å; F685-A693 HydrophobicContact CB-CB 4.13Å; F685-A693 HydrophobicContact CD2-CB 4.48Å; F685-A693 PolarHBondContact N-O 2.94Å; F685-A693 PolarHBondContact O-N 3.29Å
686	Y	97.4	Very high	95.2	Very high	49 Å²	49	38.6 Å²	38.6	19%	0.192	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.5	-179.1	-62.6	-99.6	0	0	0	110	V239 Y668 R669 R684 Q690 L691	V239-Y686 HydrophobicContact CB-CD1 4.43Å; V239-Y686 HydrophobicContact CB-CG 4.4Å; V239-Y686 HydrophobicContact CG1-CG 4.16Å; V239-Y686 HydrophobicContact CG2-CD2 4.43Å; V239-Y686 HydrophobicContact CG2-CG 4.35Å; Y668-Y686 CarbonylContact C-O 3.52Å; Y668-Y686 WeakPolarHBondContact CA-O 3.49Å; R669-Y686 PolarHBondContact N-O 3.35Å; R669-Y686 PolarHBondContact O-N 3.28Å; R684-Y686 HydrophobicContact CB-CE2 3.91Å; Y686-Q690 CarbonylContact C-O 3.57Å; Y686-Q690 VanDerWaalsContact CA-O 3.23Å; Y686-Q690 WeakPolarHBondContact CA-O 3.23Å; Y686-L691 HydrophobicContact CD1-CB 4.07Å; Y686-L691 HydrophobicContact CD1-CD1 4.27Å; Y686-L691 HydrophobicContact CD2-CD1 4.33Å; Y686-L691 HydrophobicContact CE1-CB 3.85Å; Y686-L691 HydrophobicContact CE1-CD1 3.83Å; Y686-L691 HydrophobicContact CE1-CG 4.44Å; Y686-L691 HydrophobicContact CE2-CD1 3.87Å
687	E	95.4	Very high	95.2	Very high	64 Å²	64	39.8 Å²	39.8	30%	0.299	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	107.2	166.7	-176	-178	169.4	0	0	106.8	K663 T666 Y668 Q690 V692	K663-E687 IonicContact NZ-OE1 2.62Å; K663-E687 PolarHBondContact NZ-OE1 2.65Å; K663-E687 IonicContact NZ-OE2 3.6Å; K663-E687 PolarHBondContact NZ-OE2 2.86Å; T666-E687 HydrophobicContact CG2-CG 4.29Å; Y668-E687 HydrophobicContact CD1-CB 3.84Å; Y668-E687 HydrophobicContact CD1-CG 4.13Å; Y668-E687 HydrophobicContact CE1-CB 3.77Å; Y668-E687 HydrophobicContact CE1-CG 3.69Å; E687-Q690 PolarHBondContact N-O 3.08Å; E687-Q690 PolarHBondContact O-N 3.08Å; E687-Q690 VanDerWaalsContact O-N 3.14Å; E687-V692 HydrophobicContact CB-CG1 3.58Å; E687-V692 HydrophobicContact CB-CG2 4.37Å
688	G	89.3	Confident	95.5	Very high	18 Å²	18	37.1 Å²	37.1	19%	0.186	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-132.9	-161.5	0	0	0	0	0	110.8	V239 Q690	V239-G688 WeakPolarHBondContact CG1-O 3.33Å; G688-Q690 VanDerWaalsContact C-N 3.27Å; G688-Q690 PolarHBondContact O-N 3.26Å
689	P	91.1	Very high	95.7	Very high	83 Å²	83	38.2 Å²	38.2	54%	0.539	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.3	179.4	32.9	-36.2	0	0	0	114.4	V239	V239-P689 VanDerWaalsContact O-CA 3.3Å; V239-P689 WeakPolarHBondContact O-CA 3.08Å; V239-P689 WeakPolarHBondContact O-CB 3.24Å
690	Q	94.3	Very high	95.9	Very high	141 Å²	141	38.7 Å²	38.7	66%	0.659	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.8	-173.6	-62.9	-171.9	13	0	0	111.4	Y686 E687 G688 V692	Y686-Q690 CarbonylContact C-O 3.57Å; Y686-Q690 VanDerWaalsContact CA-O 3.23Å; Y686-Q690 WeakPolarHBondContact CA-O 3.23Å; E687-Q690 PolarHBondContact N-O 3.08Å; E687-Q690 PolarHBondContact O-N 3.08Å; E687-Q690 VanDerWaalsContact O-N 3.14Å; G688-Q690 VanDerWaalsContact C-N 3.27Å; G688-Q690 PolarHBondContact O-N 3.26Å; Q690-V692 PolarHBondContact O-N 2.86Å; Q690-V692 VanDerWaalsContact O-N 3.17Å
691	L	95.4	Very high	95.8	Very high	85 Å²	85	42 Å²	42	45%	0.445	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	114.5	168.1	-178.1	74.1	0	0	0	109.4	R684 F685 Y686 A693 D694	R684-L691 HydrophobicContact CB-CD1 3.81Å; R684-L691 HydrophobicContact CG-CD1 4.33Å; F685-L691 WeakPolarHBondContact O-CD1 3.4Å; Y686-L691 HydrophobicContact CD1-CB 4.07Å; Y686-L691 HydrophobicContact CD1-CD1 4.27Å; Y686-L691 HydrophobicContact CD2-CD1 4.33Å; Y686-L691 HydrophobicContact CE1-CB 3.85Å; Y686-L691 HydrophobicContact CE1-CD1 3.83Å; Y686-L691 HydrophobicContact CE1-CG 4.44Å; Y686-L691 HydrophobicContact CE2-CD1 3.87Å; L691-A693 WeakPolarHBondContact CD1-O 3.44Å; L691-D694 HydrophobicContact CD2-CB 4.34Å
692	V	96.1	Very high	95.7	Very high	27 Å²	27	44.4 Å²	44.4	16%	0.164	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-41.7	-179.8	-70.2	0	0	0	0	111.5	R658 F685 E687 Q690	R658-V692 PolarHBondContact NE-O 2.92Å; R658-V692 PolarHBondContact NH1-O 3.23Å; R658-V692 PolarHBondContact NH2-O 3.12Å; R658-V692 VanDerWaalsContact NH2-O 3.15Å; F685-V692 HydrophobicContact CB-CG2 3.93Å; F685-V692 VanDerWaalsContact O-CG2 3.25Å; F685-V692 WeakPolarHBondContact O-CG2 3.49Å; F685-V692 PolarHBondContact O-N 3.26Å; E687-V692 HydrophobicContact CB-CG1 3.58Å; E687-V692 HydrophobicContact CB-CG2 4.37Å; Q690-V692 PolarHBondContact O-N 2.86Å; Q690-V692 VanDerWaalsContact O-N 3.17Å
693	A	96.7	Very high	95.6	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.1	178.2	0	0	0	0	0	111.6	I621 W654 R684 F685 L691	I621-A693 HydrophobicContact CD1-CB 3.69Å; W654-A693 HydrophobicContact CH2-CB 4.21Å; R684-A693 CarbonylContact C-O 3.59Å; R684-A693 WeakPolarHBondContact CA-O 3.41Å; F685-A693 HydrophobicContact CB-CB 4.13Å; F685-A693 HydrophobicContact CD2-CB 4.48Å; F685-A693 PolarHBondContact N-O 2.94Å; F685-A693 PolarHBondContact O-N 3.29Å; L691-A693 WeakPolarHBondContact CD1-O 3.44Å
694	D	97.3	Very high	95.4	Very high	52 Å²	52	46 Å²	46	28%	0.278	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.5	172.5	-172.2	-16.6	0	0	0	106.9	R682 R684 L691 G696	R682-D694 IonicContact CZ-OD1 3.98Å; R682-D694 IonicContact CZ-OD2 3.25Å; R682-D694 IonicContact NE-OD1 3.85Å; R682-D694 PolarHBondContact NE-OD1 3.46Å; R682-D694 VanDerWaalsContact NE-OD1 3.1Å; R682-D694 IonicContact NE-OD2 3.29Å; R682-D694 IonicContact NH2-OD1 3.03Å; R682-D694 IonicContact NH2-OD2 3.04Å; R682-D694 PolarHBondContact NH2-OD2 3.13Å; R684-D694 HydrophobicContact CG-CB 4.41Å; L691-D694 HydrophobicContact CD2-CB 4.34Å; D694-G696 PolarHBondContact O-N 3.44Å; D694-G696 PolarHBondContact OD1-N 2.79Å
695	T	96.8	Very high	95.3	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.086	24%	0.239	C	C	.	.			trans	-65.9	-22	177.5	57.4	0	0	0	0	111.9	W654 R682 V683	W654-T695 HydrophobicContact CD2-CG2 3.7Å; W654-T695 HydrophobicContact CE3-CG2 3.72Å; W654-T695 HydrophobicContact CG-CG2 4.11Å; W654-T695 HydrophobicContact CH2-CG2 4.37Å; W654-T695 HydrophobicContact CZ2-CG2 4.38Å; W654-T695 HydrophobicContact CZ3-CG2 4.06Å; W654-T695 PolarHBondContact NE1-O 3.1Å; R682-T695 WeakPolarHBondContact CA-OG1 3.26Å; V683-T695 HydrophobicContact CB-CG2 3.78Å; V683-T695 HydrophobicContact CG2-CG2 4.26Å; V683-T695 PolarHBondContact N-OG1 3.04Å; V683-T695 PolarHBondContact O-N 2.96Å; V683-T695 PolarHBondContact O-OG1 2.97Å
696	G	95	Very high	95.2	Very high	29 Å²	29	43.9 Å²	43.9	30%	0.299	24%	0.241	S	C	.	.			trans	66	-164.5	-156.3	0	0	0	0	0	110.5	R682 D694 I698	R682-G696 WeakPolarHBondContact CG-O 3.43Å; D694-G696 PolarHBondContact O-N 3.44Å; D694-G696 PolarHBondContact OD1-N 2.79Å; G696-I698 PolarHBondContact O-N 3.06Å
697	I	94.9	Very high	95.3	Very high	26 Å²	26	42.4 Å²	42.4	13%	0.133	24%	0.235	C	C	.	.			trans	-82.6	119.2	178.4	-61.5	166.2	0	0	0	108.8	Y680 I699 D734 F735 Y738	Y680-I697 HydrophobicContact CD2-CG2 3.89Å; Y680-I697 HydrophobicContact CE2-CB 4.39Å; Y680-I697 HydrophobicContact CE2-CD1 4.06Å; Y680-I697 HydrophobicContact CE2-CG1 3.72Å; Y680-I697 HydrophobicContact CE2-CG2 3.89Å; I697-I699 HydrophobicContact CG2-CG1 4.26Å; I697-D734 HydrophobicContact CD1-CB 4.33Å; I697-F735 HydrophobicContact CG2-CD2 4.37Å; I697-Y738 HydrophobicContact CB-CD2 4.11Å; I697-Y738 HydrophobicContact CB-CE2 4.28Å; I697-Y738 HydrophobicContact CB-CG 4.34Å; I697-Y738 HydrophobicContact CD1-CD2 4.03Å; I697-Y738 HydrophobicContact CD1-CG 3.86Å; I697-Y738 HydrophobicContact CG2-CD1 4.25Å; I697-Y738 HydrophobicContact CG2-CD2 4.47Å; I697-Y738 HydrophobicContact CG2-CE1 4.41Å; I697-Y738 HydrophobicContact CG2-CG 4.29Å
698	I	95.8	Very high	95.4	Very high	28 Å²	28	39.4 Å²	39.4	14%	0.144	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.4	169.4	-57.7	-59.4	0	0	0	107.4	L623 L653 W654 I681 G696	L623-I698 HydrophobicContact CD2-CG1 4.25Å; L623-I698 HydrophobicContact CD2-CG2 4.37Å; L653-I698 HydrophobicContact CB-CG2 4.2Å; L653-I698 HydrophobicContact CD1-CG2 4.33Å; W654-I698 HydrophobicContact CB-CD1 4.08Å; W654-I698 HydrophobicContact CB-CG1 4.41Å; W654-I698 HydrophobicContact CG-CD1 4.48Å; I681-I698 HydrophobicContact CB-CB 4.17Å; I681-I698 PolarHBondContact N-O 2.98Å; I681-I698 PolarHBondContact O-N 3.07Å; G696-I698 PolarHBondContact O-N 3.06Å
699	I	95.2	Very high	95.9	Very high	82 Å²	82	38.6 Å²	38.6	42%	0.421	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.7	174.6	-58.4	179.5	0	0	0	107.5	G679 I697 F735 Y738	G679-I699 VanDerWaalsContact O-CA 3.27Å; G679-I699 WeakPolarHBondContact O-CA 3.37Å; I697-I699 HydrophobicContact CG2-CG1 4.26Å; I699-F735 HydrophobicContact CD1-CE2 3.97Å; I699-F735 HydrophobicContact CG1-CE2 4.35Å; I699-Y738 HydrophobicContact CD1-CD1 4.23Å; I699-Y738 HydrophobicContact CD1-CE1 3.63Å; I699-Y738 HydrophobicContact CG1-CE1 4.4Å
700	D	96.4	Very high	96.2	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.059	19%	0.187	C	C	.	.			trans	-145.1	141.4	173.6	-160.9	-79.7	0	0	0	109.1	Y596 K651 L653 G679 I681 T702	Y596-D700 HydrophobicContact CE1-CB 4.21Å; Y596-D700 PolarHBondContact OH-O 3.5Å; Y596-D700 PolarHBondContact OH-OD1 2.55Å; K651-D700 IonicContact NZ-OD2 2.7Å; K651-D700 PolarHBondContact NZ-OD2 2.88Å; L653-D700 HydrophobicContact CD1-CB 3.89Å; L653-D700 HydrophobicContact CD2-CB 4.29Å; L653-D700 VanDerWaalsContact CD2-OD2 3.29Å; L653-D700 WeakPolarHBondContact CD2-OD2 3.35Å; G679-D700 CarbonylContact C-O 3.48Å; G679-D700 WeakPolarHBondContact CA-O 3.47Å; G679-D700 PolarHBondContact O-N 2.65Å; I681-D700 HydrophobicContact CD1-CB 4.16Å; D700-T702 WeakPolarHBondContact OD1-CB 3.44Å; D700-T702 PolarHBondContact OD1-N 3.04Å; D700-T702 PolarHBondContact OD1-OG1 2.73Å
701	T	95.2	Very high	96.4	Very high	69 Å²	69	27.9 Å²	27.9	42%	0.423	16%	0.155	S	C	.	.			trans	-127.1	20.6	-172.6	49.2	0	0	0	0	111.1
702	T	95	Very high	96.5	Very high	51 Å²	51	23.9 Å²	23.9	31%	0.313	13%	0.134	S	C	.	.	S	Bend	trans	-66.3	-41.4	-174.9	-53.6	0	0	0	0	111.5	Y596 K627 D700	Y596-T702 PolarHBondContact OH-N 2.87Å; Y596-T702 VanDerWaalsContact OH-N 3.12Å; K627-T702 HydrophobicContact CB-CG2 3.85Å; K627-T702 HydrophobicContact CD-CG2 4.18Å; K627-T702 HydrophobicContact CG-CG2 4.04Å; D700-T702 WeakPolarHBondContact OD1-CB 3.44Å; D700-T702 PolarHBondContact OD1-N 3.04Å; D700-T702 PolarHBondContact OD1-OG1 2.73Å
703	M	95.6	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-119.1	133.2	168.9	-66.1	71.4	61	0	0	107.8	Q590 F595 Y596 A625	Q590-M703 HydrophobicContact CG-CG 4.4Å; F595-M703 VanDerWaalsContact O-CE 3.3Å; F595-M703 WeakPolarHBondContact O-CE 3.37Å; Y596-M703 HydrophobicContact CD1-CE 3.42Å; Y596-M703 VanDerWaalsContact CD1-CE 3.42Å; Y596-M703 HydrophobicContact CD2-CB 4.24Å; Y596-M703 HydrophobicContact CD2-CE 3.44Å; Y596-M703 VanDerWaalsContact CD2-CE 3.44Å; Y596-M703 HydrophobicContact CE1-CE 3.43Å; Y596-M703 VanDerWaalsContact CE1-CE 3.43Å; Y596-M703 HydrophobicContact CE2-CB 3.67Å; Y596-M703 HydrophobicContact CE2-CE 3.48Å; Y596-M703 VanDerWaalsContact CE2-CE 3.48Å; Y596-M703 WeakPolarHBondContact CE2-O 3.48Å; Y596-M703 HydrophobicContact CG-CE 3.42Å; Y596-M703 VanDerWaalsContact CG-CE 3.42Å; Y596-M703 VanDerWaalsContact CZ-CE 3.46Å; Y596-M703 PolarHBondContact OH-N 3.28Å; Y596-M703 VanDerWaalsContact OH-N 3.15Å; Y596-M703 PolarHBondContact OH-O 3.37Å; A625-M703 HydrophobicContact CB-CE 4.19Å
704	R	95.6	Very high	96.3	Very high	79 Å²	79	22.8 Å²	22.8	30%	0.298	13%	0.128	S	C	.	.			trans	-109.8	46.2	-173	-66.8	169.4	154.4	-154	-12.3	113.2	D419 G420 I434 S436 P676	D419-R704 WeakPolarHBondContact O-CD 3.39Å; D419-R704 PolarHBondContact O-NH1 2.84Å; G420-R704 VanDerWaalsContact O-CB 3.31Å; G420-R704 WeakPolarHBondContact O-CB 3.12Å; G420-R704 PolarHBondContact O-N 2.68Å; I434-R704 HydrophobicContact CD1-CB 4.08Å; I434-R704 HydrophobicContact CD1-CG 4.24Å; I434-R704 HydrophobicContact CG1-CB 4.2Å; I434-R704 HydrophobicContact CG2-CB 3.84Å; I434-R704 WeakPolarHBondContact CG2-O 3.1Å; S436-R704 PolarHBondContact OG-O 3.36Å; P676-R704 VanDerWaalsContact CB-CA 3.42Å; P676-R704 HydrophobicContact CB-CB 4.14Å; P676-R704 WeakPolarHBondContact CB-O 3.3Å
705	G	95.1	Very high	96.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.114	C	C	.	.	S	Bend	trans	124.1	-167	-177.7	0	0	0	0	0	108.9	S436 F563 G588	S436-G705 VanDerWaalsContact OG-C 3.31Å; S436-G705 VanDerWaalsContact OG-CA 3.25Å; S436-G705 WeakPolarHBondContact OG-CA 3.21Å; F563-G705 WeakPolarHBondContact O-CA 3.44Å; G588-G705 CarbonylContact C-O 3.42Å; G588-G705 WeakPolarHBondContact CA-O 3.48Å
706	G	96.7	Very high	96.2	Very high	7 Å²	7	22.1 Å²	22.1	7%	0.072	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.7	-159.9	179	0	0	0	0	0	112.7	S436 F563 Y589	S436-G706 PolarHBondContact OG-N 3.37Å; F563-G706 PolarHBondContact N-O 2.79Å; F563-G706 PolarHBondContact O-N 2.73Å; Y589-G706 WeakPolarHBondContact O-CA 3.23Å
707	R	98.3	Very high	96.2	Very high	18 Å²	18	23.4 Å²	23.4	7%	0.068	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	163.9	-167.2	-58.1	-176.2	-72.6	152.1	-14.8	113	Q521 V558 G559 Y560 A562 F587 G588 Y589	Q521-R707 VanDerWaalsContact OE1-CZ 3.26Å; V558-R707 HydrophobicContact CG1-CB 3.73Å; G559-R707 WeakPolarHBondContact O-CD 3.26Å; Y560-R707 VanDerWaalsContact O-CD 3.23Å; Y560-R707 WeakPolarHBondContact O-CD 3.26Å; A562-R707 HydrophobicContact CB-CG 3.88Å; F587-R707 CarbonylContact C-O 3.36Å; G588-R707 PolarHBondContact N-O 3.11Å; G588-R707 VanDerWaalsContact N-O 3.07Å; Y589-R707 PolarHBondContact N-O 3.06Å; Y589-R707 PolarHBondContact O-N 3.24Å
708	L	98.6	Very high	96.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	157.2	177.9	-62.8	-178.9	0	0	0	111.2	F517 V558 G559 F563 V566 F568 F587 Y725	F517-L708 HydrophobicContact CE1-CB 4.26Å; F517-L708 HydrophobicContact CZ-CB 4.07Å; V558-L708 CarbonylContact C-O 3.46Å; V558-L708 WeakPolarHBondContact CA-O 3.19Å; V558-L708 WeakPolarHBondContact CG1-O 3.37Å; G559-L708 PolarHBondContact N-O 3.06Å; F563-L708 HydrophobicContact CD2-CD1 4.07Å; F563-L708 HydrophobicContact CD2-CG 3.87Å; F563-L708 HydrophobicContact CE2-CB 4.49Å; F563-L708 HydrophobicContact CE2-CD1 3.69Å; F563-L708 HydrophobicContact CE2-CG 3.78Å; F563-L708 HydrophobicContact CZ-CD1 4.2Å; V566-L708 HydrophobicContact CG1-CD2 4.2Å; V566-L708 HydrophobicContact CG2-CD1 3.95Å; F568-L708 HydrophobicContact CB-CD1 4Å; F568-L708 HydrophobicContact CB-CD2 4.39Å; F568-L708 HydrophobicContact CD1-CD1 4.28Å; F568-L708 HydrophobicContact CD1-CD2 4.17Å; F568-L708 HydrophobicContact CD2-CD1 3.91Å; F568-L708 HydrophobicContact CE2-CD1 4.45Å; F568-L708 HydrophobicContact CG-CD1 3.82Å; F568-L708 HydrophobicContact CG-CD2 4.36Å; F587-L708 HydrophobicContact CB-CD2 3.58Å; L708-Y725 HydrophobicContact CD1-CD1 3.88Å; L708-Y725 HydrophobicContact CD1-CG 3.97Å
709	G	98.2	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-179.4	176.5	0	0	0	0	0	114.2	A557 F585 I586	A557-G709 CarbonylContact O-C 3.56Å; A557-G709 WeakPolarHBondContact O-CA 3.17Å; F585-G709 WeakPolarHBondContact CA-O 3.14Å; F585-G709 WeakPolarHBondContact CB-O 3.1Å; I586-G709 PolarHBondContact N-O 2.7Å; I586-G709 PolarHBondContact O-N 2.92Å
710	V	98.6	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.1	175.4	-63.9	0	0	0	0	111	W537 I546 L556 A557 W720	W537-V710 HydrophobicContact CE3-CG2 4.12Å; W537-V710 HydrophobicContact CH2-CG2 4.1Å; W537-V710 HydrophobicContact CZ3-CG2 3.59Å; I546-V710 HydrophobicContact CD1-CG1 4.2Å; I546-V710 HydrophobicContact CD1-CG2 3.94Å; I546-V710 HydrophobicContact CG2-CG2 4.13Å; L556-V710 WeakPolarHBondContact CA-O 3.14Å; A557-V710 HydrophobicContact CB-CG2 3.86Å; A557-V710 PolarHBondContact N-O 2.96Å; A557-V710 VanDerWaalsContact N-O 3.17Å; A557-V710 PolarHBondContact O-N 2.73Å; V710-W720 HydrophobicContact CB-CD2 3.85Å; V710-W720 HydrophobicContact CB-CE3 4.3Å; V710-W720 HydrophobicContact CB-CG 4.14Å; V710-W720 HydrophobicContact CB-CZ2 4.09Å; V710-W720 HydrophobicContact CG1-CB 3.95Å; V710-W720 HydrophobicContact CG1-CD2 3.77Å; V710-W720 HydrophobicContact CG1-CE3 4.43Å; V710-W720 HydrophobicContact CG1-CG 3.52Å; V710-W720 HydrophobicContact CG2-CD2 4.34Å; V710-W720 HydrophobicContact CG2-CE3 4.3Å; V710-W720 HydrophobicContact CG2-CZ3 4.45Å
711	F	98.3	Very high	96.8	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	-133.6	131.9	-174.7	166.1	-106.3	0	0	0	111.4	L525 P554 L556 A583 G584 I586 V597 M599 F713 W720	L525-F711 HydrophobicContact CD1-CD2 4.46Å; L525-F711 HydrophobicContact CD1-CE2 4.16Å; P554-F711 HydrophobicContact CB-CE2 4.49Å; L556-F711 HydrophobicContact CD2-CB 3.81Å; L556-F711 HydrophobicContact CD2-CD2 3.5Å; L556-F711 VanDerWaalsContact CD2-CD2 3.5Å; L556-F711 HydrophobicContact CD2-CG 4.1Å; A583-F711 CarbonylContact C-O 3.58Å; A583-F711 WeakPolarHBondContact CA-O 3.45Å; G584-F711 PolarHBondContact N-O 3.42Å; G584-F711 PolarHBondContact O-N 3.11Å; I586-F711 HydrophobicContact CG2-CB 4.1Å; V597-F711 HydrophobicContact CG2-CB 4.38Å; V597-F711 HydrophobicContact CG2-CD1 3.88Å; V597-F711 HydrophobicContact CG2-CE1 4.31Å; V597-F711 HydrophobicContact CG2-CG 4.06Å; M599-F711 HydrophobicContact CB-CD1 4.13Å; M599-F711 HydrophobicContact CB-CE1 3.86Å; M599-F711 HydrophobicContact CE-CE1 4.19Å; M599-F711 HydrophobicContact CE-CZ 4.42Å; F711-F713 HydrophobicContact CE1-CB 4.29Å; F711-F713 HydrophobicContact CE2-CB 4.17Å; F711-F713 HydrophobicContact CZ-CB 3.67Å; F711-F713 HydrophobicContact CZ-CD1 4.2Å; F711-F713 HydrophobicContact CZ-CG 4.46Å; F711-W720 WeakPolarHBondContact O-CZ2 3.24Å
712	C	96.6	Very high	96.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.7	169.3	65.5	0	0	0	0	110.7	W537 Q548 P554 G555 I718 W720	W537-C712 HydrophobicContact CH2-CB 4.22Å; W537-C712 WeakPolarHBondContact CH2-SG 3.26Å; Q548-C712 HydrophobicContact CG-CB 4.44Å; P554-C712 WeakPolarHBondContact CA-O 3.36Å; G555-C712 PolarHBondContact N-O 2.96Å; G555-C712 PolarHBondContact O-N 2.87Å; C712-I718 HydrophobicContact CB-CD1 3.62Å; C712-W720 HydrophobicContact CB-CH2 4.22Å
713	F	96.2	Very high	97	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.009	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	107	169.8	-175.8	172.7	0	0	0	108.9	P554 Y582 Y607 R637 L640 W641 F711 Q715	P554-F713 HydrophobicContact CB-CB 4.03Å; P554-F713 HydrophobicContact CB-CD1 3.73Å; P554-F713 HydrophobicContact CB-CD2 3.88Å; P554-F713 HydrophobicContact CB-CE1 4.06Å; P554-F713 HydrophobicContact CB-CE2 4.23Å; P554-F713 HydrophobicContact CB-CG 3.64Å; P554-F713 HydrophobicContact CB-CZ 4.31Å; P554-F713 HydrophobicContact CG-CD1 4.39Å; P554-F713 HydrophobicContact CG-CD2 4.2Å; P554-F713 HydrophobicContact CG-CE1 4.24Å; P554-F713 HydrophobicContact CG-CE2 4.09Å; P554-F713 HydrophobicContact CG-CG 4.38Å; P554-F713 HydrophobicContact CG-CZ 4.1Å; Y582-F713 PolarHBondContact N-O 3.32Å; Y582-F713 VanDerWaalsContact N-O 3.17Å; Y582-F713 PolarHBondContact O-N 2.78Å; Y607-F713 HydrophobicContact CD2-CZ 4.47Å; Y607-F713 AromaticContact CE2-CE2 3.91Å; Y607-F713 HydrophobicContact CE2-CE2 3.91Å; Y607-F713 AromaticContact CE2-CZ 3.84Å; Y607-F713 HydrophobicContact CE2-CZ 3.84Å; R637-F713 HydrophobicContact CG-CE1 4.05Å; R637-F713 HydrophobicContact CG-CE2 4.42Å; R637-F713 HydrophobicContact CG-CZ 3.5Å; L640-F713 HydrophobicContact CB-CE1 4.45Å; W641-F713 HydrophobicContact CB-CE1 4.07Å; W641-F713 HydrophobicContact CE3-CD1 4.06Å; W641-F713 HydrophobicContact CE3-CD2 4.19Å; W641-F713 AromaticContact CE3-CE1 3.74Å; W641-F713 HydrophobicContact CE3-CE1 3.74Å; W641-F713 AromaticContact CE3-CE2 3.85Å; W641-F713 HydrophobicContact CE3-CE2 3.85Å; W641-F713 HydrophobicContact CE3-CG 4.28Å; W641-F713 AromaticContact CE3-CZ 3.61Å; W641-F713 HydrophobicContact CE3-CZ 3.61Å; W641-F713 HydrophobicContact CZ3-CD2 4.16Å; W641-F713 HydrophobicContact CZ3-CE2 4.01Å; W641-F713 HydrophobicContact CZ3-CG 4.5Å; W641-F713 HydrophobicContact CZ3-CZ 4.25Å; F711-F713 HydrophobicContact CE1-CB 4.29Å; F711-F713 HydrophobicContact CE2-CB 4.17Å; F711-F713 HydrophobicContact CZ-CB 3.67Å; F711-F713 HydrophobicContact CZ-CD1 4.2Å; F711-F713 HydrophobicContact CZ-CG 4.46Å; F713-Q715 VanDerWaalsContact C-N 3.3Å; F713-Q715 PolarHBondContact O-N 2.79Å
714	S	94.1	Very high	97.1	Very high	8 Å²	8	15.4 Å²	15.4	6%	0.056	7%	0.07	C	C	.	.	S	Bend	trans	64.5	27	175.5	-167.2	0	0	0	0	114.4	N551 S552 D581	N551-S714 WeakPolarHBondContact OD1-CA 3.11Å; N551-S714 PolarHBondContact OD1-O 2.8Å; N551-S714 VanDerWaalsContact OD1-O 3.12Å; N551-S714 PolarHBondContact OD1-OG 2.83Å; S552-S714 WeakPolarHBondContact O-CA 3.17Å; S552-S714 PolarHBondContact O-N 2.81Å; D581-S714 WeakPolarHBondContact CB-O 3.27Å; D581-S714 WeakPolarHBondContact OD2-CB 3.16Å; D581-S714 VanDerWaalsContact OD2-O 3.08Å; D581-S714 PolarHBondContact OD2-OG 3.1Å
715	Q	95.9	Very high	97.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.			trans	-130.7	131.6	178.9	176.3	65.1	62.3	0	0	110.2	Q548 V574 T578 D581 W662 F713 I718	Q548-Q715 PolarHBondContact OE1-O 3.23Å; Q548-Q715 VanDerWaalsContact OE1-O 3.11Å; V574-Q715 HydrophobicContact CG1-CG 4.49Å; T578-Q715 PolarHBondContact O-NE2 3.12Å; D581-Q715 HydrophobicContact CB-CB 4.1Å; D581-Q715 VanDerWaalsContact N-OE1 3.14Å; W662-Q715 VanDerWaalsContact CZ2-OE1 3.32Å; F713-Q715 VanDerWaalsContact C-N 3.3Å; F713-Q715 PolarHBondContact O-N 2.79Å; Q715-I718 HydrophobicContact CB-CD1 3.97Å; Q715-I718 HydrophobicContact CB-CG1 4.37Å; Q715-I718 HydrophobicContact CG-CD1 3.84Å; Q715-I718 HydrophobicContact CG-CG1 3.68Å; Q715-I718 WeakPolarHBondContact O-CD1 3.33Å
716	E	95.1	Very high	97.2	Very high	51 Å²	51	16.7 Å²	16.7	24%	0.238	7%	0.074	C	C	.	.			trans	-100.3	163.2	178.4	68	-174.5	164.8	0	0	112.7	N551 T576 T578 I718	N551-E716 HydrophobicContact CB-CB 4.32Å; T576-E716 HydrophobicContact CG2-CG 4.29Å; T578-E716 WeakPolarHBondContact CB-OE1 3.07Å; T578-E716 PolarHBondContact OG1-OE1 3.16Å; E716-I718 PolarHBondContact O-N 2.61Å
717	N	95.8	Very high	97.1	Very high	56 Å²	56	17.9 Å²	17.9	30%	0.299	8%	0.081	S	C	.	.	S	Bend	trans	56	45.7	174.3	-63.8	-56	0	0	0	113.7	Q548 N575 T576	Q548-N717 CarbonylContact O-C 3.59Å; Q548-N717 WeakPolarHBondContact O-CA 3.35Å; Q548-N717 PolarHBondContact O-N 2.95Å; N575-N717 PolarHBondContact N-O 3.34Å; T576-N717 HydrophobicContact CG2-CB 4.08Å
718	I	98.3	Very high	96.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.3	175.2	-49.7	157.7	0	0	0	108.7	V547 Q548 F572 A583 C712 Q715 E716 W720	V547-I718 CarbonylContact C-O 3.52Å; V547-I718 VanDerWaalsContact CA-O 3.3Å; V547-I718 WeakPolarHBondContact CA-O 3.41Å; Q548-I718 PolarHBondContact N-O 2.96Å; Q548-I718 PolarHBondContact O-N 3.28Å; F572-I718 HydrophobicContact CD2-CG2 4.19Å; F572-I718 HydrophobicContact CE2-CG2 3.87Å; A583-I718 HydrophobicContact CB-CD1 3.6Å; A583-I718 HydrophobicContact CB-CG1 4.07Å; A583-I718 HydrophobicContact CB-CG2 4.03Å; C712-I718 HydrophobicContact CB-CD1 3.62Å; Q715-I718 HydrophobicContact CB-CD1 3.97Å; Q715-I718 HydrophobicContact CB-CG1 4.37Å; Q715-I718 HydrophobicContact CG-CD1 3.84Å; Q715-I718 HydrophobicContact CG-CG1 3.68Å; Q715-I718 WeakPolarHBondContact O-CD1 3.33Å; E716-I718 PolarHBondContact O-N 2.61Å; I718-W720 HydrophobicContact CB-CE3 4.31Å; I718-W720 HydrophobicContact CB-CH2 3.51Å; I718-W720 HydrophobicContact CB-CZ2 4.04Å; I718-W720 HydrophobicContact CB-CZ3 3.65Å; I718-W720 HydrophobicContact CD1-CH2 3.63Å; I718-W720 HydrophobicContact CD1-CZ2 4.05Å; I718-W720 HydrophobicContact CG1-CH2 4.2Å; I718-W720 HydrophobicContact CG2-CD2 3.9Å; I718-W720 HydrophobicContact CG2-CE3 3.91Å; I718-W720 HydrophobicContact CG2-CH2 3.4Å; I718-W720 VanDerWaalsContact CG2-CH2 3.4Å; I718-W720 HydrophobicContact CG2-CZ2 3.39Å; I718-W720 HydrophobicContact CG2-CZ3 3.65Å
719	I	98.5	Very high	96.3	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.046	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.3	175.6	-53.7	174.6	0	0	0	107.9	V277 P278 E545 V547 H573 N575 A721	V277-I719 HydrophobicContact CG1-CD1 4.03Å; P278-I719 HydrophobicContact CB-CG2 4.27Å; E545-I719 HydrophobicContact CG-CG2 4.33Å; V547-I719 HydrophobicContact CG1-CG1 4.26Å; V547-I719 HydrophobicContact CG2-CG1 4.18Å; V547-I719 HydrophobicContact CG2-CG2 4.26Å; H573-I719 HydrophobicContact CB-CB 4.37Å; H573-I719 PolarHBondContact N-O 3.1Å; H573-I719 PolarHBondContact O-N 2.68Å; N575-I719 HydrophobicContact CB-CD1 3.88Å; I719-A721 HydrophobicContact CG2-CB 3.92Å
720	W	98.7	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	91	165.5	-61.5	-97.3	0	0	0	107.6	W537 E545 I546 Q548 T571 A583 G584 W670 V710 F711 C712 I718 L723	W537-W720 HydrophobicContact CE3-CZ3 4.36Å; W537-W720 HydrophobicContact CH2-CH2 4.37Å; W537-W720 AromaticContact CZ3-CH2 3.72Å; W537-W720 HydrophobicContact CZ3-CH2 3.72Å; W537-W720 AromaticContact CZ3-CZ3 3.7Å; W537-W720 HydrophobicContact CZ3-CZ3 3.7Å; E545-W720 CarbonylContact C-O 3.59Å; E545-W720 VanDerWaalsContact CA-O 3.27Å; E545-W720 WeakPolarHBondContact CA-O 3.32Å; I546-W720 HydrophobicContact CB-CE3 4.36Å; I546-W720 HydrophobicContact CG2-CE3 4.32Å; I546-W720 PolarHBondContact N-O 3.44Å; I546-W720 PolarHBondContact O-N 3.25Å; Q548-W720 HydrophobicContact CB-CH2 3.9Å; Q548-W720 HydrophobicContact CB-CZ3 3.55Å; T571-W720 CarbonylContact O-C 3.55Å; T571-W720 VanDerWaalsContact O-CA 3.26Å; T571-W720 WeakPolarHBondContact O-CA 2.94Å; A583-W720 HydrophobicContact CB-CZ2 4.46Å; G584-W720 PolarHBondContact O-NE1 2.91Å; W670-W720 HydrophobicContact CH2-CB 4.08Å; W670-W720 AromaticContact CH2-CD1 3.45Å; W670-W720 VanDerWaalsContact CH2-CD1 3.45Å; W670-W720 HydrophobicContact CH2-CG 4.14Å; W670-W720 AromaticContact CZ3-CD1 3.72Å; V710-W720 HydrophobicContact CB-CD2 3.85Å; V710-W720 HydrophobicContact CB-CE3 4.3Å; V710-W720 HydrophobicContact CB-CG 4.14Å; V710-W720 HydrophobicContact CB-CZ2 4.09Å; V710-W720 HydrophobicContact CG1-CB 3.95Å; V710-W720 HydrophobicContact CG1-CD2 3.77Å; V710-W720 HydrophobicContact CG1-CE3 4.43Å; V710-W720 HydrophobicContact CG1-CG 3.52Å; V710-W720 HydrophobicContact CG2-CD2 4.34Å; V710-W720 HydrophobicContact CG2-CE3 4.3Å; V710-W720 HydrophobicContact CG2-CZ3 4.45Å; F711-W720 WeakPolarHBondContact O-CZ2 3.24Å; C712-W720 HydrophobicContact CB-CH2 4.22Å; I718-W720 HydrophobicContact CB-CE3 4.31Å; I718-W720 HydrophobicContact CB-CH2 3.51Å; I718-W720 HydrophobicContact CB-CZ2 4.04Å; I718-W720 HydrophobicContact CB-CZ3 3.65Å; I718-W720 HydrophobicContact CD1-CH2 3.63Å; I718-W720 HydrophobicContact CD1-CZ2 4.05Å; I718-W720 HydrophobicContact CG1-CH2 4.2Å; I718-W720 HydrophobicContact CG2-CD2 3.9Å; I718-W720 HydrophobicContact CG2-CE3 3.91Å; I718-W720 HydrophobicContact CG2-CH2 3.4Å; I718-W720 VanDerWaalsContact CG2-CH2 3.4Å; I718-W720 HydrophobicContact CG2-CZ2 3.39Å; I718-W720 HydrophobicContact CG2-CZ3 3.65Å; W720-L723 HydrophobicContact CB-CD1 4.48Å; W720-L723 HydrophobicContact CB-CD2 4.09Å; W720-L723 HydrophobicContact CB-CG 4.49Å
721	A	98.1	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	159.2	-174.9	0	0	0	0	0	112.3	P278 E545 T571 I719 L723	P278-A721 HydrophobicContact CB-CB 3.48Å; P278-A721 VanDerWaalsContact CB-CB 3.48Å; E545-A721 HydrophobicContact CG-CB 4.18Å; E545-A721 WeakPolarHBondContact OE2-CB 3.12Å; T571-A721 WeakPolarHBondContact CB-O 3.32Å; T571-A721 PolarHBondContact N-O 3.36Å; T571-A721 PolarHBondContact O-N 3Å; I719-A721 HydrophobicContact CG2-CB 3.92Å; A721-L723 PolarHBondContact O-N 2.71Å; A721-L723 VanDerWaalsContact O-N 3.11Å
722	N	97.1	Very high	94.7	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	46.7	45.7	174.4	-171.4	17.4	0	0	0	112.5	D255 S280 R544 R669 R724	D255-N722 VanDerWaalsContact O-CB 3.31Å; D255-N722 WeakPolarHBondContact O-CB 3.35Å; D255-N722 VanDerWaalsContact O-CG 3.29Å; D255-N722 PolarHBondContact O-ND2 2.03Å; S280-N722 PolarHBondContact OG-N 3.37Å; R544-N722 PolarHBondContact NH2-OD1 2.91Å; R544-N722 PolarHBondContact O-N 3.45Å; R544-N722 VanDerWaalsContact O-N 3.15Å; R669-N722 PolarHBondContact NH1-ND2 3.32Å; R669-N722 PolarHBondContact NH1-O 3.12Å; R669-N722 VanDerWaalsContact NH1-O 3.14Å; R669-N722 PolarHBondContact NH2-O 2.74Å; N722-R724 PolarHBondContact OD1-NE 2.62Å; N722-R724 PolarHBondContact OD1-NH2 3.14Å; N722-R724 VanDerWaalsContact OD1-NH2 3.08Å
723	L	98.2	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	136.5	173.7	-65.6	175.2	0	0	0	109	T515 F517 R544 I546 F568 E569 W670 W720 A721	T515-L723 HydrophobicContact CG2-CB 4.3Å; T515-L723 WeakPolarHBondContact CG2-O 3.43Å; F517-L723 HydrophobicContact CD2-CD1 3.86Å; F517-L723 HydrophobicContact CE2-CB 4.39Å; F517-L723 HydrophobicContact CE2-CD1 4.1Å; R544-L723 PolarHBondContact NE-O 3.41Å; R544-L723 VanDerWaalsContact O-CB 3.31Å; R544-L723 WeakPolarHBondContact O-CB 3.21Å; R544-L723 WeakPolarHBondContact O-CG 3.27Å; R544-L723 PolarHBondContact O-N 2.72Å; I546-L723 HydrophobicContact CD1-CD1 3.88Å; I546-L723 HydrophobicContact CG1-CD1 3.94Å; F568-L723 HydrophobicContact CE2-CD2 4.08Å; F568-L723 HydrophobicContact CZ-CD2 3.97Å; E569-L723 WeakPolarHBondContact O-CA 3.43Å; W670-L723 HydrophobicContact CH2-CD2 3.59Å; W670-L723 HydrophobicContact CZ2-CD2 3.54Å; W720-L723 HydrophobicContact CB-CD1 4.48Å; W720-L723 HydrophobicContact CB-CD2 4.09Å; W720-L723 HydrophobicContact CB-CG 4.49Å; A721-L723 PolarHBondContact O-N 2.71Å; A721-L723 VanDerWaalsContact O-N 3.11Å
724	R	96.6	Very high	93.2	Very high	85 Å²	85	37.3 Å²	37.3	32%	0.321	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	127.1	174.2	-55.7	-178.8	-173	-161.9	-5.6	109.3	T515 F568 E569 N722	T515-R724 WeakPolarHBondContact OG1-CA 3.49Å; F568-R724 WeakPolarHBondContact CA-O 3.26Å; F568-R724 WeakPolarHBondContact CD2-O 3.46Å; E569-R724 HydrophobicContact CG-CB 3.93Å; E569-R724 PolarHBondContact N-O 3.33Å; E569-R724 PolarHBondContact O-N 3.17Å; E569-R724 VanDerWaalsContact O-O 3.12Å; N722-R724 PolarHBondContact OD1-NE 2.62Å; N722-R724 PolarHBondContact OD1-NH2 3.14Å; N722-R724 VanDerWaalsContact OD1-NH2 3.08Å
725	Y	97.2	Very high	92.6	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	164.5	161.2	51	-108.5	0	0	0	110	V505 V512 L514 T515 D516 F517 F563 D567 L708	V505-Y725 HydrophobicContact CG1-CD2 3.36Å; V505-Y725 HydrophobicContact CG1-CE2 3.54Å; V505-Y725 WeakPolarHBondContact CG1-O 3.39Å; V512-Y725 HydrophobicContact CG1-CE2 3.82Å; L514-Y725 PolarHBondContact O-OH 3.49Å; T515-Y725 VanDerWaalsContact CA-CZ 3.49Å; T515-Y725 WeakPolarHBondContact CA-OH 3.44Å; T515-Y725 HydrophobicContact CG2-CD1 3.74Å; T515-Y725 HydrophobicContact CG2-CE1 3.62Å; T515-Y725 HydrophobicContact CG2-CG 4.43Å; T515-Y725 PolarHBondContact OG1-N 2.88Å; D516-Y725 PolarHBondContact N-OH 2.67Å; F517-Y725 HydrophobicContact CD2-CE1 4.34Å; F517-Y725 AromaticContact CE2-CD1 3.74Å; F517-Y725 HydrophobicContact CE2-CD1 3.74Å; F517-Y725 AromaticContact CE2-CE1 3.65Å; F517-Y725 HydrophobicContact CE2-CE1 3.65Å; F517-Y725 AromaticContact CZ-CD1 3.9Å; F517-Y725 HydrophobicContact CZ-CD1 3.9Å; F517-Y725 AromaticContact CZ-CE1 3.92Å; F517-Y725 HydrophobicContact CZ-CE1 3.92Å; F563-Y725 AromaticContact CE1-CD2 3.67Å; F563-Y725 HydrophobicContact CE1-CD2 3.67Å; F563-Y725 AromaticContact CE1-CE2 4Å; F563-Y725 HydrophobicContact CE1-CE2 4Å; F563-Y725 HydrophobicContact CE1-CG 4.27Å; F563-Y725 HydrophobicContact CZ-CD1 4.19Å; F563-Y725 AromaticContact CZ-CD2 3.49Å; F563-Y725 HydrophobicContact CZ-CD2 3.49Å; F563-Y725 VanDerWaalsContact CZ-CD2 3.49Å; F563-Y725 HydrophobicContact CZ-CE1 4.27Å; F563-Y725 AromaticContact CZ-CE2 3.62Å; F563-Y725 HydrophobicContact CZ-CE2 3.62Å; F563-Y725 AromaticContact CZ-CG 3.82Å; F563-Y725 HydrophobicContact CZ-CG 3.82Å; D567-Y725 CarbonylContact O-C 3.58Å; D567-Y725 WeakPolarHBondContact O-CA 3.18Å; L708-Y725 HydrophobicContact CD1-CD1 3.88Å; L708-Y725 HydrophobicContact CD1-CG 3.97Å
726	R	95.5	Very high	91.8	Very high	95 Å²	95	42.7 Å²	42.7	36%	0.358	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132	172.1	-163	-171.9	179.3	169	3.7	110.2	V505 V566 D567 N728	V505-R726 WeakPolarHBondContact O-CA 3.49Å; V505-R726 WeakPolarHBondContact O-CG 3.31Å; V566-R726 WeakPolarHBondContact CA-O 3.15Å; D567-R726 PolarHBondContact N-O 3.18Å; D567-R726 PolarHBondContact O-N 2.78Å; R726-N728 PolarHBondContact O-N 3.23Å
727	C	95	Very high	91.1	Very high	32 Å²	32	44 Å²	44	22%	0.216	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124.9	168.7	-66.3	0	0	0	0	108.9	V505 C506	V505-C727 PolarHBondContact O-N 3.44Å; C506-C727 HydrophobicContact CB-CB 3.62Å; C506-C727 WeakPolarHBondContact CB-SG 3.49Å; C506-C727 WeakPolarHBondContact SG-CB 3.46Å; C506-C727 PolarHBondContact SG-N 2.72Å; C506-C727 VanDerWaalsContact SG-N 3.4Å; C506-C727 CovalentContact SG-SG 2.03Å; C506-C727 PolarHBondContact SG-SG 3.1Å
728	N	92.8	Very high	90.4	Very high	41 Å²	41	44.3 Å²	44.3	22%	0.219	24%	0.242	C	C	.	.			trans	-156.3	101.6	-179	-168.5	-3.5	0	0	0	110.3	G565 D567 R675 R726 T730	G565-N728 CarbonylContact C-O 3.56Å; G565-N728 PolarHBondContact O-N 3.1Å; D567-N728 PolarHBondContact OD2-ND2 3.26Å; R675-N728 WeakPolarHBondContact CD-O 3.32Å; R675-N728 PolarHBondContact NE-O 2.78Å; R675-N728 PolarHBondContact NH1-O 2.94Å; R675-N728 PolarHBondContact NH2-ND2 3.47Å; R726-N728 PolarHBondContact O-N 3.23Å; N728-T730 WeakPolarHBondContact OD1-CB 3.47Å; N728-T730 PolarHBondContact OD1-N 3.31Å; N728-T730 VanDerWaalsContact OD1-N 3.15Å
729	D	88.1	Confident	89.5	Confident	84 Å²	84	48.6 Å²	48.6	45%	0.449	26%	0.261	S	S	.	.			trans	-91.7	-9	176.3	-54.9	-61.2	0	0	0	112.6	G565 I731	G565-D729 WeakPolarHBondContact CA-OD1 3.35Å; G565-D729 PolarHBondContact N-OD1 3.12Å; G565-D729 VanDerWaalsContact N-OD1 3.11Å; D729-I731 PolarHBondContact O-N 3.31Å; D729-I731 VanDerWaalsContact O-N 3.14Å
730	T	87.9	Confident	88.4	Confident	107 Å²	107	50.7 Å²	50.7	66%	0.656	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-67.1	118.8	179.3	-59.2	0	0	0	0	109.9	R675 N728 P732	R675-T730 PolarHBondContact NE-O 2.83Å; N728-T730 WeakPolarHBondContact OD1-CB 3.47Å; N728-T730 PolarHBondContact OD1-N 3.31Å; N728-T730 VanDerWaalsContact OD1-N 3.15Å; T730-P732 WeakPolarHBondContact O-CD 3.44Å
731	I	86.5	Confident	87.3	Confident	69 Å²	69	55.9 Å²	55.9	35%	0.354	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.2	128.7	178.6	-57.5	164.9	0	0	0	109.7	D678 D729 G733 F735	D678-I731 WeakPolarHBondContact OD2-CD1 3.24Å; D729-I731 PolarHBondContact O-N 3.31Å; D729-I731 VanDerWaalsContact O-N 3.14Å; I731-G733 PolarHBondContact O-N 2.97Å; I731-F735 HydrophobicContact CG2-CB 3.61Å; I731-F735 HydrophobicContact CG2-CD1 3.49Å; I731-F735 VanDerWaalsContact CG2-CD1 3.49Å; I731-F735 HydrophobicContact CG2-CE1 4.3Å; I731-F735 HydrophobicContact CG2-CG 3.77Å
732	P	85.8	Confident	86.1	Confident	20 Å²	20	59.2 Å²	59.2	13%	0.13	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-58.5	135.7	176.3	-29.4	39.1	0	0	0	113	Y680 T730 D734 F735	Y680-P732 HydrophobicContact CD1-CG 4.38Å; Y680-P732 HydrophobicContact CE1-CB 4.47Å; Y680-P732 HydrophobicContact CE1-CG 3.78Å; Y680-P732 HydrophobicContact CE2-CB 4.33Å; Y680-P732 HydrophobicContact CE2-CG 4.35Å; T730-P732 WeakPolarHBondContact O-CD 3.44Å; P732-D734 VanDerWaalsContact CB-OD1 3.26Å; P732-D734 WeakPolarHBondContact CB-OD1 3.47Å; P732-D734 PolarHBondContact O-N 3.11Å; P732-F735 WeakPolarHBondContact O-CB 3.45Å; P732-F735 PolarHBondContact O-N 2.87Å
733	G	79.4	Confident	84.7	Confident	59 Å²	59	62.9 Å²	62.9	61%	0.608	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.9	-175.7	0	0	0	0	0	115.8	I731	I731-G733 PolarHBondContact O-N 2.97Å
734	D	82.1	Confident	82.9	Confident	50 Å²	50	70 Å²	70	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-73.6	-17.7	170.7	62.3	-4.8	0	0	0	112.7	Y680 R682 I697 P732 T737 Y738	Y680-D734 PolarHBondContact OH-OD1 2.78Å; Y680-D734 PolarHBondContact OH-OD2 3.11Å; R682-D734 IonicContact CZ-OD2 3.22Å; R682-D734 IonicContact NH1-OD2 2.7Å; R682-D734 PolarHBondContact NH1-OD2 3.38Å; I697-D734 HydrophobicContact CD1-CB 4.33Å; P732-D734 VanDerWaalsContact CB-OD1 3.26Å; P732-D734 WeakPolarHBondContact CB-OD1 3.47Å; P732-D734 PolarHBondContact O-N 3.11Å; D734-T737 PolarHBondContact O-N 2.9Å; D734-Y738 WeakPolarHBondContact O-CB 3.12Å; D734-Y738 PolarHBondContact O-N 3.44Å
735	F	82.7	Confident	81.1	Confident	6 Å²	6	72.2 Å²	72.2	3%	0.026	39%	0.393	C	S	.	.	H	α-helix	trans	-65.4	-47.9	177.7	-171.3	-119.9	0	0	0	113	D678 Y680 I697 I699 I731 P732 T737 Y738 Q739	D678-F735 HydrophobicContact CB-CE1 3.94Å; D678-F735 HydrophobicContact CB-CZ 3.78Å; Y680-F735 HydrophobicContact CD2-CB 4.18Å; Y680-F735 AromaticContact CD2-CD2 3.54Å; Y680-F735 HydrophobicContact CD2-CD2 3.54Å; Y680-F735 HydrophobicContact CD2-CE2 4.15Å; Y680-F735 HydrophobicContact CD2-CG 4.11Å; Y680-F735 HydrophobicContact CE2-CB 4.17Å; Y680-F735 HydrophobicContact CE2-CD2 4.15Å; I697-F735 HydrophobicContact CG2-CD2 4.37Å; I699-F735 HydrophobicContact CD1-CE2 3.97Å; I699-F735 HydrophobicContact CG1-CE2 4.35Å; I731-F735 HydrophobicContact CG2-CB 3.61Å; I731-F735 HydrophobicContact CG2-CD1 3.49Å; I731-F735 VanDerWaalsContact CG2-CD1 3.49Å; I731-F735 HydrophobicContact CG2-CE1 4.3Å; I731-F735 HydrophobicContact CG2-CG 3.77Å; P732-F735 WeakPolarHBondContact O-CB 3.45Å; P732-F735 PolarHBondContact O-N 2.87Å; F735-T737 PolarHBondContact O-N 3.08Å; F735-Y738 WeakPolarHBondContact O-CB 3.49Å; F735-Y738 PolarHBondContact O-N 2.96Å; F735-Q739 HydrophobicContact CD1-CG 4.37Å; F735-Q739 HydrophobicContact CE1-CG 4.18Å; F735-Q739 HydrophobicContact CE2-CG 4.39Å; F735-Q739 HydrophobicContact CZ-CG 4.19Å; F735-Q739 PolarHBondContact O-N 3.47Å
736	D	79.4	Confident	78.8	Confident	114 Å²	114	79.4 Å²	79.4	61%	0.61	43%	0.427	S	S	*	.	H	α-helix	trans	-57.2	-40.2	176.2	-74.5	-24	0	0	0	111.5	A740	D736-A740 WeakPolarHBondContact O-CB 3.48Å; D736-A740 PolarHBondContact O-N 2.82Å
737	T	78.8	Confident	76.4	Confident	79 Å²	79	85.8 Å²	85.8	49%	0.485	46%	0.458	S	S	.	.	H	α-helix	trans	-66.5	-41.8	178.4	-56.1	0	0	0	0	110.7	D734 F735 A740 Q741	D734-T737 PolarHBondContact O-N 2.9Å; F735-T737 PolarHBondContact O-N 3.08Å; T737-A740 PolarHBondContact O-N 2.69Å; T737-Q741 VanDerWaalsContact O-CG 3.3Å; T737-Q741 WeakPolarHBondContact O-CG 3.44Å; T737-Q741 PolarHBondContact O-N 2.67Å; T737-Q741 VanDerWaalsContact O-N 3.09Å
738	Y	82.1	Confident	75.4	Confident	63 Å²	63	88.5 Å²	88.5	25%	0.247	47%	0.47	C	S	.	.	H	α-helix	trans	-64.5	-48.4	176.1	177.1	-89.5	0	0	0	112	I697 I699 D734 F735 A740 Q741 Q742	I697-Y738 HydrophobicContact CB-CD2 4.11Å; I697-Y738 HydrophobicContact CB-CE2 4.28Å; I697-Y738 HydrophobicContact CB-CG 4.34Å; I697-Y738 HydrophobicContact CD1-CD2 4.03Å; I697-Y738 HydrophobicContact CD1-CG 3.86Å; I697-Y738 HydrophobicContact CG2-CD1 4.25Å; I697-Y738 HydrophobicContact CG2-CD2 4.47Å; I697-Y738 HydrophobicContact CG2-CE1 4.41Å; I697-Y738 HydrophobicContact CG2-CG 4.29Å; I699-Y738 HydrophobicContact CD1-CD1 4.23Å; I699-Y738 HydrophobicContact CD1-CE1 3.63Å; I699-Y738 HydrophobicContact CG1-CE1 4.4Å; D734-Y738 WeakPolarHBondContact O-CB 3.12Å; D734-Y738 PolarHBondContact O-N 3.44Å; F735-Y738 WeakPolarHBondContact O-CB 3.49Å; F735-Y738 PolarHBondContact O-N 2.96Å; Y738-A740 VanDerWaalsContact C-N 3.29Å; Y738-A740 PolarHBondContact O-N 2.92Å; Y738-Q741 WeakPolarHBondContact O-CB 3.32Å; Y738-Q741 PolarHBondContact O-N 2.72Å; Y738-Q742 HydrophobicContact CD1-CG 4Å; Y738-Q742 HydrophobicContact CE1-CG 3.53Å; Y738-Q742 HydrophobicContact CE2-CG 4.35Å; Y738-Q742 WeakPolarHBondContact O-CG 3.49Å; Y738-Q742 PolarHBondContact O-N 3.39Å; Y738-Q742 PolarHBondContact OH-NE2 3.24Å
739	Q	79.6	Confident	74.5	Confident	89 Å²	89	91 Å²	91	42%	0.416	48%	0.483	S	S	.	.	H	α-helix	trans	-57	-45.1	176.4	-73.5	-164.5	-7.6	0	0	111.1	F735 Q741 Q742 V743	F735-Q739 HydrophobicContact CD1-CG 4.37Å; F735-Q739 HydrophobicContact CE1-CG 4.18Å; F735-Q739 HydrophobicContact CE2-CG 4.39Å; F735-Q739 HydrophobicContact CZ-CG 4.19Å; F735-Q739 PolarHBondContact O-N 3.47Å; Q739-Q741 VanDerWaalsContact C-N 3.29Å; Q739-Q741 PolarHBondContact O-N 3Å; Q739-Q742 PolarHBondContact O-N 2.95Å; Q739-V743 WeakPolarHBondContact O-CG2 3.29Å; Q739-V743 PolarHBondContact O-N 3.01Å
740	A	74.9	Confident	73.8	Confident	54 Å²	54	91.4 Å²	91.4	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-36.3	176.9	0	0	0	0	0	113	D736 T737 Y738 Q744	D736-A740 WeakPolarHBondContact O-CB 3.48Å; D736-A740 PolarHBondContact O-N 2.82Å; T737-A740 PolarHBondContact O-N 2.69Å; Y738-A740 VanDerWaalsContact C-N 3.29Å; Y738-A740 PolarHBondContact O-N 2.92Å; A740-Q744 PolarHBondContact O-N 3.46Å
741	Q	75.9	Confident	72.9	Confident	108 Å²	108	90.5 Å²	90.5	51%	0.505	48%	0.475	S	S	.	.	H	α-helix	trans	-71.7	-39.8	176.1	-72.9	174.7	14.5	0	0	112.6	T737 Y738 Q739 Q744 L745	T737-Q741 VanDerWaalsContact O-CG 3.3Å; T737-Q741 WeakPolarHBondContact O-CG 3.44Å; T737-Q741 PolarHBondContact O-N 2.67Å; T737-Q741 VanDerWaalsContact O-N 3.09Å; Y738-Q741 WeakPolarHBondContact O-CB 3.32Å; Y738-Q741 PolarHBondContact O-N 2.72Å; Q739-Q741 VanDerWaalsContact C-N 3.29Å; Q739-Q741 PolarHBondContact O-N 3Å; Q741-Q744 PolarHBondContact O-N 2.78Å; Q741-L745 PolarHBondContact O-N 3.13Å; Q741-L745 VanDerWaalsContact O-N 3.16Å
742	Q	71.8	Confident	72.1	Confident	71 Å²	71	91.8 Å²	91.8	33%	0.332	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-40.1	176.7	-68.6	-60.1	-29.8	0	0	111.8	Y738 Q739 Q744 L745 Q746	Y738-Q742 HydrophobicContact CD1-CG 4Å; Y738-Q742 HydrophobicContact CE1-CG 3.53Å; Y738-Q742 HydrophobicContact CE2-CG 4.35Å; Y738-Q742 WeakPolarHBondContact O-CG 3.49Å; Y738-Q742 PolarHBondContact O-N 3.39Å; Y738-Q742 PolarHBondContact OH-NE2 3.24Å; Q739-Q742 PolarHBondContact O-N 2.95Å; Q742-Q744 VanDerWaalsContact C-N 3.28Å; Q742-Q744 PolarHBondContact O-N 3.08Å; Q742-L745 PolarHBondContact O-N 3.37Å; Q742-L745 VanDerWaalsContact O-N 3.16Å; Q742-Q746 PolarHBondContact O-N 3.44Å
743	V	69.4	Low	71.2	Confident	82 Å²	82	96.6 Å²	96.6	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-36.5	174.3	174.6	0	0	0	0	111.2	Q739 L745 Q746 F747	Q739-V743 WeakPolarHBondContact O-CG2 3.29Å; Q739-V743 PolarHBondContact O-N 3.01Å; V743-L745 VanDerWaalsContact C-N 3.34Å; V743-L745 PolarHBondContact O-N 2.86Å; V743-Q746 PolarHBondContact O-N 3.49Å; V743-F747 HydrophobicContact CG1-CD2 4.46Å; V743-F747 HydrophobicContact CG1-CE2 4.1Å; V743-F747 VanDerWaalsContact O-CD2 3.28Å; V743-F747 WeakPolarHBondContact O-CD2 3.29Å
744	Q	59.6	Low	70.6	Confident	150 Å²	150	99.3 Å²	99.3	70%	0.701	50%	0.499	S	S	*	.	H	α-helix	trans	-71.4	-24.3	176.3	-76.3	-177.1	4	0	0	114.3	A740 Q741 Q742	A740-Q744 PolarHBondContact O-N 3.46Å; Q741-Q744 PolarHBondContact O-N 2.78Å; Q742-Q744 VanDerWaalsContact C-N 3.28Å; Q742-Q744 PolarHBondContact O-N 3.08Å
745	L	58.2	Low	69.7	Low	131 Å²	131	103.1 Å²	103.1	69%	0.686	52%	0.517	S	S	*	.	H	α-helix	trans	-82.9	-14	177.2	-72.7	164.5	0	0	0	113.1	Q741 Q742 V743	Q741-L745 PolarHBondContact O-N 3.13Å; Q741-L745 VanDerWaalsContact O-N 3.16Å; Q742-L745 PolarHBondContact O-N 3.37Å; Q742-L745 VanDerWaalsContact O-N 3.16Å; V743-L745 VanDerWaalsContact C-N 3.34Å; V743-L745 PolarHBondContact O-N 2.86Å
746	Q	50.1	Low	68.6	Low	163 Å²	163	111.2 Å²	111.2	76%	0.762	56%	0.558	S	S	*	*			trans	-93	-1.5	176.8	-69.6	-175	-2	0	0	114	Q742 V743	Q742-Q746 PolarHBondContact O-N 3.44Å; V743-Q746 PolarHBondContact O-N 3.49Å
747	F	43.7	Very low	67.6	Low	230 Å²	230	110.9 Å²	110.9	100%	1.009	55%	0.553	S	S	*	*			trans	-112.2	0	168.7	-71.1	-74.4	0	0	0	111	V743	V743-F747 HydrophobicContact CG1-CD2 4.46Å; V743-F747 HydrophobicContact CG1-CE2 4.1Å; V743-F747 VanDerWaalsContact O-CD2 3.28Å; V743-F747 WeakPolarHBondContact O-CD2 3.29Å

Retrieved 747 of 747 residues in 1829.7 ms (Link to these results)

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