A0A3P9QCG2_POERE Loading...

Olfactomedin 1b

AlphaFold DB , UniProt , Accession A0A3P9QCG2, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 457 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	38.6	Very low	42.3	Very low	246 Å²	246	144.5 Å²	144.5	100%	1.212	79%	0.79	S	S	*	*				0	145.7	0	-83.7	158.2	69.7	0	0	108.6
2	Q	34.9	Very low	42	Very low	192 Å²	192	145.2 Å²	145.2	90%	0.897	79%	0.791	S	S	*	*			trans	-65.7	-177.5	-166.9	-120.1	-164.6	-11.2	0	0	113.9
3	P	45	Very low	41.7	Very low	108 Å²	108	142.8 Å²	142.8	70%	0.701	78%	0.776	S	S	*	*				-122.2	175.9	-126.9	38.5	-18.4	0	0	0	112.3
4	A	42.9	Very low	41.4	Very low	98 Å²	98	141 Å²	141	81%	0.81	77%	0.772	S	S	*	*			trans	-178	77.2	154.9	0	0	0	0	0	111.5
5	S	47.2	Very low	40.9	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	78%	0.776	S	S	*	*	S	Bend	trans	-161.2	14.6	157.8	-151.5	0	0	0	0	115
6	K	44	Very low	40.8	Very low	189 Å²	189	145.8 Å²	145.8	82%	0.822	78%	0.779	S	S	*	*	S	Bend	trans	-130.2	21.9	173.2	-71.7	-169.9	176.6	-177	0	113.1
7	L	42.8	Very low	40.7	Very low	133 Å²	133	140.2 Å²	140.2	70%	0.696	77%	0.765	S	S	*	*	S	Bend	trans	-105.1	6.8	178.1	-144.5	84.7	0	0	0	113.6
8	L	44.1	Very low	40.7	Very low	157 Å²	157	140.2 Å²	140.2	82%	0.822	77%	0.77	S	S	*	*	S	Bend	trans	-101	-14.9	173.7	-121.9	84.1	0	0	0	113.8
9	T	45.3	Very low	40.2	Very low	109 Å²	109	142.5 Å²	142.5	67%	0.669	78%	0.775	S	S	*	*	S	Bend	trans	-104.1	-2.9	-177.2	-10.5	0	0	0	0	113.8
10	L	38.2	Very low	39.7	Very low	128 Å²	128	142.9 Å²	142.9	67%	0.67	78%	0.775	S	S	*	*	S	Bend	trans	-110.3	1	178.2	-136.2	84.2	0	0	0	114.3
11	I	42.3	Very low	39.3	Very low	113 Å²	113	142.7 Å²	142.7	58%	0.579	78%	0.779	S	S	*	*	S	Bend	trans	-91.9	-13.5	170.6	-67.9	177.2	0	0	0	111.4
12	L	38.8	Very low	38.8	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	75%	0.753	S	S	*	*	S	Bend	trans	-89.8	1.5	177	-104.2	131.1	0	0	0	114.8
13	L	37.6	Very low	39	Very low	114 Å²	114	135.8 Å²	135.8	60%	0.597	75%	0.753	S	S	*	*	S	Bend	trans	-121.8	7.6	-177.3	-90	153.1	0	0	0	114.7
14	V	37.5	Very low	38.1	Very low	118 Å²	118	137 Å²	137	72%	0.715	75%	0.753	S	S	*	*	S	Bend	trans	-118.1	4.9	177	-175.7	0	0	0	0	113.3	M16	V14-M16 VanDerWaalsContact C-N 3.3Å
15	F	34.3	Very low	37.7	Very low	191 Å²	191	137.9 Å²	137.9	84%	0.838	75%	0.751	S	S	*	*			trans	-95.4	27	162.2	-84.2	-79	0	0	0	112.7	G17	F15-G17 PolarHBondContact O-N 2.86Å
16	M	39.1	Very low	37.2	Very low	167 Å²	167	136.3 Å²	136.3	82%	0.823	74%	0.744	S	S	*	*			trans	-89.8	85.3	156.7	-74.4	-163.1	-162.1	0	0	108.3	V14	V14-M16 VanDerWaalsContact C-N 3.3Å
17	G	38.3	Very low	37	Very low	52 Å²	52	133 Å²	133	54%	0.536	74%	0.736	S	S	.	*	S	Bend	trans	167.5	112.1	176.4	0	0	0	0	0	110.5	F15	F15-G17 PolarHBondContact O-N 2.86Å
18	T	41.6	Very low	37.1	Very low	139 Å²	139	130.4 Å²	130.4	85%	0.853	73%	0.727	S	S	*	*			trans	78.6	74.7	167.6	73.5	0	0	0	0	117.8
19	E	30.5	Very low	37.2	Very low	185 Å²	185	131 Å²	131	86%	0.864	73%	0.726	S	S	*	*				-120.8	101.5	127.8	-72.1	-160.9	162.5	0	0	106	T21	E19-T21 PolarHBondContact O-N 3.29Å
20	L	31.7	Very low	37.2	Very low	149 Å²	149	133.9 Å²	133.9	78%	0.78	73%	0.731	S	S	*	*				24.6	93.7	109.6	-90.3	126.6	0	0	0	111.3	Q22	L20-Q22 PolarHBondContact O-N 3.49Å
21	T	31.1	Very low	37.5	Very low	139 Å²	139	131.2 Å²	131.2	85%	0.853	72%	0.723	S	S	*	*			trans	-59.2	83.9	154.5	42.9	0	0	0	0	107.2	E19 V23	E19-T21 PolarHBondContact O-N 3.29Å; T21-V23 PolarHBondContact O-N 3.49Å
22	Q	27.8	Very low	37.8	Very low	144 Å²	144	134 Å²	134	67%	0.673	73%	0.727	S	S	*	*			trans	-60.3	118.9	159	-77.9	-174.7	-13.2	0	0	105.8	L20 L24	L20-Q22 PolarHBondContact O-N 3.49Å; Q22-L24 PolarHBondContact O-N 3Å
23	V	37.8	Very low	38.4	Very low	150 Å²	150	130.7 Å²	130.7	91%	0.909	71%	0.707	S	S	*	*			trans	-56.8	96.9	161.7	177.6	0	0	0	0	106.3	T21	T21-V23 PolarHBondContact O-N 3.49Å
24	L	26.3	Very low	39.2	Very low	133 Å²	133	129.6 Å²	129.6	70%	0.696	71%	0.705	S	S	*	*			trans	-96.7	152.3	166.7	-83.3	164.4	0	0	0	108.6	Q22	Q22-L24 PolarHBondContact O-N 3Å
25	P	34.5	Very low	39.8	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	70%	0.7	S	S	*	*			trans	-73.9	157.2	-150.7	-6.9	22.9	0	0	0	112.2
26	A	36.9	Very low	40.7	Very low	82 Å²	82	125.3 Å²	125.3	68%	0.678	68%	0.681	S	S	*	*			trans	-44.4	148.1	171.4	0	0	0	0	0	113
27	N	40.7	Very low	41.6	Very low	119 Å²	119	121.5 Å²	121.5	64%	0.636	67%	0.671	S	S	*	*			trans	-38.1	129.1	175.8	-144	12.4	0	0	0	112.1	E29 E30	N27-E29 PolarHBondContact O-N 3.03Å; N27-E30 PolarHBondContact O-N 3.32Å
28	P	44	Very low	42.4	Very low	79 Å²	79	121.9 Å²	121.9	51%	0.513	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	3	-169	26.5	-33.6	0	0	0	115.6	Q33	P28-Q33 PolarHBondContact O-NE2 3.29Å
29	E	46.6	Very low	43.3	Very low	170 Å²	170	121.7 Å²	121.7	79%	0.794	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-6.2	176.6	-67.3	-165	157.5	0	0	114.2	N27	N27-E29 PolarHBondContact O-N 3.03Å
30	E	44.4	Very low	44.6	Very low	169 Å²	169	115 Å²	115	79%	0.79	63%	0.628	S	S	*	*	S	Bend	trans	-110.8	4.7	-177.4	-71.5	-172.1	162.4	0	0	115	N27	N27-E30 PolarHBondContact O-N 3.32Å
31	S	44.5	Very low	46.1	Very low	72 Å²	72	114.2 Å²	114.2	50%	0.503	64%	0.635	S	S	.	*	S	Bend	trans	-115.1	147.3	178.2	56.8	0	0	0	0	112.6	Q33	S31-Q33 PolarHBondContact O-N 3.42Å; S31-Q33 VanDerWaalsContact O-N 3.13Å
32	W	49.3	Very low	48	Very low	173 Å²	173	114.1 Å²	114.1	66%	0.655	63%	0.625	S	S	*	*			trans	-58.6	114.3	175.3	-67.6	80.6	0	0	0	109.7	V49 A51	W32-V49 HydrophobicContact CE3-CB 4.32Å; W32-V49 HydrophobicContact CE3-CG2 3.96Å; W32-V49 HydrophobicContact CZ3-CG2 4.13Å; W32-A51 HydrophobicContact CE3-CB 4.17Å; W32-A51 HydrophobicContact CH2-CB 3.7Å; W32-A51 HydrophobicContact CZ3-CB 3.45Å; W32-A51 VanDerWaalsContact CZ3-CB 3.45Å
33	Q	51	Low	49.4	Very low	83 Å²	83	109.3 Å²	109.3	39%	0.388	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94	121.9	177.2	-69.9	-173.9	-3.3	0	0	110.3	P28 S31 Y35 V49 V50	P28-Q33 PolarHBondContact O-NE2 3.29Å; S31-Q33 PolarHBondContact O-N 3.42Å; S31-Q33 VanDerWaalsContact O-N 3.13Å; Q33-Y35 HydrophobicContact CB-CD2 4.3Å; Q33-Y35 HydrophobicContact CB-CE2 3.87Å; Q33-Y35 PolarHBondContact OE1-OH 3.38Å; Q33-V49 WeakPolarHBondContact O-CA 3.41Å; Q33-V50 PolarHBondContact O-N 2.83Å
34	V	54.1	Low	50.3	Low	90 Å²	90	109 Å²	109	55%	0.545	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.9	115.7	173.7	-170.6	0	0	0	0	108.2	C47 V49	V34-C47 HydrophobicContact CG1-CB 3.93Å; V34-V49 HydrophobicContact CB-CG1 4.16Å; V34-V49 HydrophobicContact CG1-CG1 4.21Å; V34-V49 HydrophobicContact CG2-CG1 3.72Å
35	Y	50.8	Low	51.9	Low	158 Å²	158	107.3 Å²	107.3	62%	0.62	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.8	-29.3	-174.2	-89.2	-98.8	0	0	0	113.2	Q33 T48 V50	Q33-Y35 HydrophobicContact CB-CD2 4.3Å; Q33-Y35 HydrophobicContact CB-CE2 3.87Å; Q33-Y35 PolarHBondContact OE1-OH 3.38Å; Y35-T48 PolarHBondContact N-O 3.28Å; Y35-V50 HydrophobicContact CD2-CB 4.25Å; Y35-V50 HydrophobicContact CD2-CG2 3.62Å; Y35-V50 HydrophobicContact CE2-CB 4.06Å; Y35-V50 HydrophobicContact CE2-CG2 3.69Å; Y35-V50 HydrophobicContact CG-CG2 4.45Å
36	S	54.3	Low	52.8	Low	62 Å²	62	105.2 Å²	105.2	43%	0.434	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-159.6	149.1	171.4	71.7	0	0	0	0	112	C47 T48	S36-C47 WeakPolarHBondContact O-CA 3.38Å; S36-T48 PolarHBondContact O-N 3.26Å
37	S	56.8	Low	53.7	Low	87 Å²	87	104.9 Å²	104.9	61%	0.608	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.5	117	163.7	60.7	0	0	0	0	109	V46	S37-V46 CarbonylContact C-O 3.6Å; S37-V46 WeakPolarHBondContact CA-O 3.22Å
38	A	56.5	Low	54.5	Low	59 Å²	59	103.1 Å²	103.1	49%	0.488	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.9	147.8	174.5	0	0	0	0	0	109.7	V46	A38-V46 PolarHBondContact N-O 3.21Å; A38-V46 WeakPolarHBondContact O-CA 3.33Å; A38-V46 PolarHBondContact O-N 2.91Å
39	Q	59.4	Low	55.1	Low	136 Å²	136	102.5 Å²	102.5	64%	0.636	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.3	128.8	179.3	-147.7	170.3	13	0	0	109.3	G43 R44	Q39-G43 VanDerWaalsContact CG-C 3.44Å; Q39-G43 WeakPolarHBondContact CG-O 3.37Å; Q39-G43 PolarHBondContact NE2-O 3.48Å; Q39-R44 CarbonylContact C-O 3.58Å; Q39-R44 VanDerWaalsContact CA-O 3.3Å; Q39-R44 WeakPolarHBondContact CA-O 3.34Å
40	D	57.4	Low	55.2	Low	44 Å²	44	98.6 Å²	98.6	24%	0.235	55%	0.547	C	S	.	.			trans	-71.1	169.9	176	77	6.1	0	0	0	111.2	E42 G43 R44 V46	D40-E42 PolarHBondContact O-N 3.05Å; D40-E42 WeakPolarHBondContact OD1-CA 3.48Å; D40-E42 PolarHBondContact OD1-N 3.2Å; D40-G43 PolarHBondContact O-N 3.49Å; D40-G43 PolarHBondContact OD1-N 3.07Å; D40-G43 VanDerWaalsContact OD1-N 3.09Å; D40-R44 PolarHBondContact N-O 3.13Å; D40-R44 PolarHBondContact OD1-N 3.11Å; D40-R44 IonicContact OD2-CZ 3.77Å; D40-R44 IonicContact OD2-NE 3.22Å; D40-R44 PolarHBondContact OD2-NE 3.13Å; D40-R44 IonicContact OD2-NH2 3.92Å; D40-R44 PolarHBondContact OD2-NH2 3.37Å; D40-V46 HydrophobicContact CB-CG2 4.14Å
41	S	64.1	Low	55.4	Low	132 Å²	132	93 Å²	93	92%	0.923	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-8.2	-179.4	50.5	0	0	0	0	114.4
42	E	70.9	Confident	55.7	Low	138 Å²	138	93 Å²	93	65%	0.645	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	5.6	176	-61.8	-175.6	160.6	0	0	112.3	D40 R44	D40-E42 PolarHBondContact O-N 3.05Å; D40-E42 WeakPolarHBondContact OD1-CA 3.48Å; D40-E42 PolarHBondContact OD1-N 3.2Å; E42-R44 IonicContact OE2-CZ 3.9Å; E42-R44 IonicContact OE2-NH1 2.97Å; E42-R44 PolarHBondContact OE2-NH1 3.36Å; E42-R44 IonicContact OE2-NH2 2.97Å; E42-R44 PolarHBondContact OE2-NH2 3.41Å
43	G	57.3	Low	55.4	Low	43 Å²	43	93.3 Å²	93.3	44%	0.443	54%	0.538	S	S	.	.	S	Bend	trans	85.7	13.1	175.7	0	0	0	0	0	114.8	Q39 D40	Q39-G43 VanDerWaalsContact CG-C 3.44Å; Q39-G43 WeakPolarHBondContact CG-O 3.37Å; Q39-G43 PolarHBondContact NE2-O 3.48Å; D40-G43 PolarHBondContact O-N 3.49Å; D40-G43 PolarHBondContact OD1-N 3.07Å; D40-G43 VanDerWaalsContact OD1-N 3.09Å
44	R	57.1	Low	55.1	Low	142 Å²	142	99 Å²	99	54%	0.536	56%	0.564	S	S	.	*			trans	-92.8	137.1	177.3	-60.3	-177.9	-63.1	-130.3	-14	111.4	Q39 D40 E42 V46	Q39-R44 CarbonylContact C-O 3.58Å; Q39-R44 VanDerWaalsContact CA-O 3.3Å; Q39-R44 WeakPolarHBondContact CA-O 3.34Å; D40-R44 PolarHBondContact N-O 3.13Å; D40-R44 PolarHBondContact OD1-N 3.11Å; D40-R44 IonicContact OD2-CZ 3.77Å; D40-R44 IonicContact OD2-NE 3.22Å; D40-R44 PolarHBondContact OD2-NE 3.13Å; D40-R44 IonicContact OD2-NH2 3.92Å; D40-R44 PolarHBondContact OD2-NH2 3.37Å; E42-R44 IonicContact OE2-CZ 3.9Å; E42-R44 IonicContact OE2-NH1 2.97Å; E42-R44 PolarHBondContact OE2-NH1 3.36Å; E42-R44 IonicContact OE2-NH2 2.97Å; E42-R44 PolarHBondContact OE2-NH2 3.41Å; R44-V46 PolarHBondContact O-N 3.23Å
45	C	59.9	Low	54.5	Low	98 Å²	98	98.4 Å²	98.4	66%	0.662	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.8	120.9	174.1	-71.8	0	0	0	0	110.9
46	V	52.5	Low	54.1	Low	74 Å²	74	99.9 Å²	99.9	45%	0.448	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	119.1	175.1	-176.6	0	0	0	0	108.6	S37 A38 D40 R44	S37-V46 CarbonylContact C-O 3.6Å; S37-V46 WeakPolarHBondContact CA-O 3.22Å; A38-V46 PolarHBondContact N-O 3.21Å; A38-V46 WeakPolarHBondContact O-CA 3.33Å; A38-V46 PolarHBondContact O-N 2.91Å; D40-V46 HydrophobicContact CB-CG2 4.14Å; R44-V46 PolarHBondContact O-N 3.23Å
47	C	56.7	Low	53.7	Low	75 Å²	75	100.3 Å²	100.3	51%	0.507	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	130.7	178.3	-66.8	0	0	0	0	110.7	V34 S36	V34-C47 HydrophobicContact CG1-CB 3.93Å; S36-C47 WeakPolarHBondContact O-CA 3.38Å
48	T	56	Low	53.1	Low	82 Å²	82	99.5 Å²	99.5	50%	0.503	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.2	119.6	173.7	-37.2	0	0	0	0	109.2	Y35 S36	Y35-T48 PolarHBondContact N-O 3.28Å; S36-T48 PolarHBondContact O-N 3.26Å
49	V	56.4	Low	52.7	Low	66 Å²	66	107.3 Å²	107.3	40%	0.4	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.4	142.5	-179.8	-62.1	0	0	0	0	110.8	W32 Q33 V34	W32-V49 HydrophobicContact CE3-CB 4.32Å; W32-V49 HydrophobicContact CE3-CG2 3.96Å; W32-V49 HydrophobicContact CZ3-CG2 4.13Å; Q33-V49 WeakPolarHBondContact O-CA 3.41Å; V34-V49 HydrophobicContact CB-CG1 4.16Å; V34-V49 HydrophobicContact CG1-CG1 4.21Å; V34-V49 HydrophobicContact CG2-CG1 3.72Å
50	V	50	Low	52.6	Low	87 Å²	87	102.6 Å²	102.6	53%	0.527	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	114.9	170.1	179.8	0	0	0	0	107.8	Q33 Y35	Q33-V50 PolarHBondContact O-N 2.83Å; Y35-V50 HydrophobicContact CD2-CB 4.25Å; Y35-V50 HydrophobicContact CD2-CG2 3.62Å; Y35-V50 HydrophobicContact CE2-CB 4.06Å; Y35-V50 HydrophobicContact CE2-CG2 3.69Å; Y35-V50 HydrophobicContact CG-CG2 4.45Å
51	A	48.7	Very low	52.5	Low	52 Å²	52	104 Å²	104	43%	0.43	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-73.6	136.5	172.3	0	0	0	0	0	109.5	W32 Q53	W32-A51 HydrophobicContact CE3-CB 4.17Å; W32-A51 HydrophobicContact CH2-CB 3.7Å; W32-A51 HydrophobicContact CZ3-CB 3.45Å; W32-A51 VanDerWaalsContact CZ3-CB 3.45Å; A51-Q53 PolarHBondContact O-N 3.21Å
52	P	50.1	Low	52.3	Low	73 Å²	73	104.3 Å²	104.3	47%	0.474	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-59.1	138.6	171.4	23.2	-30.2	0	0	0	109.6	Q54	P52-Q54 PolarHBondContact O-N 3.16Å
53	Q	42.4	Very low	51.7	Low	179 Å²	179	98.9 Å²	98.9	84%	0.836	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.7	127.7	-176	-77.6	-157.1	-21.2	0	0	110.9	A51 S55	A51-Q53 PolarHBondContact O-N 3.21Å; Q53-S55 PolarHBondContact O-N 3.02Å
54	Q	46.2	Very low	52	Low	202 Å²	202	102.8 Å²	102.8	94%	0.944	55%	0.551	S	S	*	*			trans	-68.6	65.6	165.2	-74.3	-176.2	-19.3	0	0	110	P52	P52-Q54 PolarHBondContact O-N 3.16Å
55	S	40.9	Very low	52.2	Low	77 Å²	77	99.4 Å²	99.4	54%	0.538	54%	0.541	S	S	.	.			trans	-81.5	126.3	158.3	70.2	0	0	0	0	106.7	Q53 C57	Q53-S55 PolarHBondContact O-N 3.02Å; S55-C57 PolarHBondContact O-N 2.99Å; S55-C57 PolarHBondContact O-SG 2.96Å; S55-C57 VanDerWaalsContact O-SG 3.36Å
56	M	42.5	Very low	52.4	Low	190 Å²	190	95.4 Å²	95.4	94%	0.936	51%	0.514	S	S	*	.			trans	-52.7	107.4	174.3	-60.1	-155	85	0	0	108.8	S58	M56-S58 PolarHBondContact O-N 2.8Å
57	C	45	Very low	53	Low	71 Å²	71	98.1 Å²	98.1	48%	0.48	52%	0.516	S	S	.	.			trans	-69.2	95	-166	-73.9	0	0	0	0	111.9	S55 R59 D60 T63	S55-C57 PolarHBondContact O-N 2.99Å; S55-C57 PolarHBondContact O-SG 2.96Å; S55-C57 VanDerWaalsContact O-SG 3.36Å; C57-R59 PolarHBondContact O-N 3.45Å; C57-R59 VanDerWaalsContact O-N 3.14Å; C57-D60 HydrophobicContact CB-CB 4.16Å; C57-D60 PolarHBondContact O-N 3.01Å; C57-T63 PolarHBondContact O-OG1 3.43Å
58	S	46.2	Very low	53.6	Low	70 Å²	70	99.7 Å²	99.7	49%	0.49	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-5.5	166.2	72.8	0	0	0	0	113.8	M56	M56-S58 PolarHBondContact O-N 2.8Å
59	R	47.2	Very low	53.9	Low	222 Å²	222	95.9 Å²	95.9	84%	0.838	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-1.1	-175.7	-61.7	-177.3	79.9	177.7	3.9	114	C57	C57-R59 PolarHBondContact O-N 3.45Å; C57-R59 VanDerWaalsContact O-N 3.14Å
60	D	56.8	Low	54.4	Low	37 Å²	37	95 Å²	95	20%	0.198	49%	0.485	C	S	.	.			trans	-70.8	132.8	176.9	-150.8	-40.9	0	0	0	110.7	C57 R62 T63 K64	C57-D60 HydrophobicContact CB-CB 4.16Å; C57-D60 PolarHBondContact O-N 3.01Å; D60-R62 HydrophobicContact CB-CB 4.2Å; D60-R62 PolarHBondContact O-N 2.74Å; D60-R62 WeakPolarHBondContact OD1-CB 3.19Å; D60-R62 VanDerWaalsContact OD1-CG 3.26Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 IonicContact OD1-CZ 2.79Å; D60-R62 PolarHBondContact OD1-N 3.47Å; D60-R62 VanDerWaalsContact OD1-N 3.11Å; D60-R62 IonicContact OD1-NE 3.03Å; D60-R62 PolarHBondContact OD1-NE 2.88Å; D60-R62 IonicContact OD1-NH2 3.76Å; D60-R62 IonicContact OD2-CZ 2.74Å; D60-R62 IonicContact OD2-NE 2.74Å; D60-R62 PolarHBondContact OD2-NE 3.41Å; D60-R62 IonicContact OD2-NH2 2.89Å; D60-R62 PolarHBondContact OD2-NH2 2.94Å; D60-T63 PolarHBondContact O-N 2.87Å; D60-T63 VanDerWaalsContact O-N 3.09Å; D60-K64 PolarHBondContact O-N 2.73Å; D60-K64 VanDerWaalsContact O-N 3.13Å
61	A	56.5	Low	55.3	Low	74 Å²	74	96.4 Å²	96.4	61%	0.612	49%	0.486	S	S	*	.	H	α-helix	trans	-54.5	-32.6	170.5	0	0	0	0	0	110.5	K64 Q65	A61-K64 PolarHBondContact O-N 2.91Å; A61-Q65 PolarHBondContact O-N 3.42Å
62	R	60.2	Low	56.3	Low	138 Å²	138	99.1 Å²	99.1	52%	0.521	49%	0.488	S	S	.	.	H	α-helix	trans	-54.1	-52	172.7	-65.8	178.5	-86.4	-176	0.7	112.7	D60 L66	D60-R62 HydrophobicContact CB-CB 4.2Å; D60-R62 PolarHBondContact O-N 2.74Å; D60-R62 WeakPolarHBondContact OD1-CB 3.19Å; D60-R62 VanDerWaalsContact OD1-CG 3.26Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 IonicContact OD1-CZ 2.79Å; D60-R62 PolarHBondContact OD1-N 3.47Å; D60-R62 VanDerWaalsContact OD1-N 3.11Å; D60-R62 IonicContact OD1-NE 3.03Å; D60-R62 PolarHBondContact OD1-NE 2.88Å; D60-R62 IonicContact OD1-NH2 3.76Å; D60-R62 IonicContact OD2-CZ 2.74Å; D60-R62 IonicContact OD2-NE 2.74Å; D60-R62 PolarHBondContact OD2-NE 3.41Å; D60-R62 IonicContact OD2-NH2 2.89Å; D60-R62 PolarHBondContact OD2-NH2 2.94Å; R62-L66 WeakPolarHBondContact O-CB 3.45Å; R62-L66 PolarHBondContact O-N 3.18Å
63	T	57.9	Low	57.2	Low	25 Å²	25	96 Å²	96	15%	0.153	47%	0.467	C	S	.	.	H	α-helix	trans	-72.6	-31.4	-177.4	-48.6	0	0	0	0	111.8	C57 D60 R67	C57-T63 PolarHBondContact O-OG1 3.43Å; D60-T63 PolarHBondContact O-N 2.87Å; D60-T63 VanDerWaalsContact O-N 3.09Å; T63-R67 HydrophobicContact CG2-CG 4.4Å; T63-R67 WeakPolarHBondContact O-CB 3.47Å; T63-R67 WeakPolarHBondContact O-CG 3.27Å; T63-R67 PolarHBondContact O-N 3.24Å
64	K	62.3	Low	58.4	Low	125 Å²	125	93 Å²	93	54%	0.543	45%	0.454	S	S	.	.	H	α-helix	trans	-68.2	-46.1	174.8	-75.3	-175.2	178.7	179.7	0	112.1	D60 A61 R67 Q68	D60-K64 PolarHBondContact O-N 2.73Å; D60-K64 VanDerWaalsContact O-N 3.13Å; A61-K64 PolarHBondContact O-N 2.91Å; K64-R67 PolarHBondContact O-N 3.28Å; K64-Q68 WeakPolarHBondContact O-CB 3.37Å; K64-Q68 VanDerWaalsContact O-CG 3.31Å; K64-Q68 WeakPolarHBondContact O-CG 3.34Å; K64-Q68 PolarHBondContact O-N 3.08Å
65	Q	62.4	Low	59.3	Low	70 Å²	70	88 Å²	88	33%	0.327	43%	0.433	S	S	.	.	H	α-helix	trans	-67.8	-42.2	-179.5	-157.6	171.6	-0.5	0	0	111.1	A61 Q68 L69 V183 E187	A61-Q65 PolarHBondContact O-N 3.42Å; Q65-Q68 PolarHBondContact O-N 3.31Å; Q65-L69 PolarHBondContact O-N 3.06Å; Q65-V183 HydrophobicContact CG-CG1 4.43Å; Q65-E187 PolarHBondContact NE2-OE1 3.28Å
66	L	64.4	Low	60.4	Low	15 Å²	15	84.5 Å²	84.5	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-64.5	-41.1	173.7	-170.1	67.8	0	0	0	112.3	R62 L69 L70 L164 Q168 M171	R62-L66 WeakPolarHBondContact O-CB 3.45Å; R62-L66 PolarHBondContact O-N 3.18Å; L66-L69 WeakPolarHBondContact O-CB 3.27Å; L66-L69 PolarHBondContact O-N 3.44Å; L66-L70 HydrophobicContact CG-CD1 4.28Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.12Å; L66-L164 HydrophobicContact CD1-CD2 3.48Å; L66-L164 VanDerWaalsContact CD1-CD2 3.48Å; L66-Q168 HydrophobicContact CD2-CB 4.48Å; L66-M171 HydrophobicContact CD2-SD 3.79Å
67	R	65.3	Low	61.5	Low	131 Å²	131	77.4 Å²	77.4	49%	0.494	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-43.1	173.5	-83.1	178	180	172	0	112.2	T63 K64 L69 L70 E71	T63-R67 HydrophobicContact CG2-CG 4.4Å; T63-R67 WeakPolarHBondContact O-CB 3.47Å; T63-R67 WeakPolarHBondContact O-CG 3.27Å; T63-R67 PolarHBondContact O-N 3.24Å; K64-R67 PolarHBondContact O-N 3.28Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 3.15Å; R67-L70 PolarHBondContact O-N 3.32Å; R67-E71 WeakPolarHBondContact O-CB 3.3Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 2.92Å
68	Q	67.9	Low	62.5	Low	108 Å²	108	78.7 Å²	78.7	51%	0.505	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-39	175.6	-77.3	176.9	-12.6	0	0	111.5	K64 Q65 K72	K64-Q68 WeakPolarHBondContact O-CB 3.37Å; K64-Q68 VanDerWaalsContact O-CG 3.31Å; K64-Q68 WeakPolarHBondContact O-CG 3.34Å; K64-Q68 PolarHBondContact O-N 3.08Å; Q65-Q68 PolarHBondContact O-N 3.31Å; Q68-K72 WeakPolarHBondContact O-CB 3.32Å; Q68-K72 VanDerWaalsContact O-CG 3.22Å; Q68-K72 WeakPolarHBondContact O-CG 3.45Å; Q68-K72 PolarHBondContact O-N 3.18Å
69	L	62.2	Low	63.2	Low	2 Å²	2	78.8 Å²	78.8	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-64.9	-46.5	173.2	-85	165.5	0	0	0	112.4	Q65 L66 R67 E71 K72 V73 L164 V183 E187 L190	Q65-L69 PolarHBondContact O-N 3.06Å; L66-L69 WeakPolarHBondContact O-CB 3.27Å; L66-L69 PolarHBondContact O-N 3.44Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 3.15Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.83Å; L69-K72 PolarHBondContact O-N 2.93Å; L69-V73 WeakPolarHBondContact O-CB 3.15Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.45Å; L69-L164 HydrophobicContact CB-CD2 4.39Å; L69-V183 HydrophobicContact CD1-CG1 3.59Å; L69-E187 HydrophobicContact CD1-CG 3.91Å; L69-E187 HydrophobicContact CD2-CB 4.46Å; L69-E187 HydrophobicContact CD2-CG 3.43Å; L69-E187 VanDerWaalsContact CD2-CG 3.43Å; L69-E187 HydrophobicContact CG-CG 4.02Å; L69-L190 HydrophobicContact CD2-CD2 3.91Å
70	L	66.6	Low	63.9	Low	48 Å²	48	68.4 Å²	68.4	25%	0.251	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-44.5	175.3	-75.6	165.2	0	0	0	111.3	L66 R67 V73 Q74 L164	L66-L70 HydrophobicContact CG-CD1 4.28Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.12Å; R67-L70 PolarHBondContact O-N 3.32Å; L70-V73 PolarHBondContact O-N 2.91Å; L70-Q74 VanDerWaalsContact O-CB 3.23Å; L70-Q74 WeakPolarHBondContact O-CB 3.14Å; L70-Q74 PolarHBondContact O-N 3.3Å; L70-L164 HydrophobicContact CD2-CB 4.05Å; L70-L164 HydrophobicContact CD2-CD1 4.26Å
71	E	70.4	Confident	64.3	Low	116 Å²	116	71.8 Å²	71.8	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-45.2	175.4	-76.5	175.1	-175.3	0	0	111.7	R67 L69 Q74 N75	R67-E71 WeakPolarHBondContact O-CB 3.3Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 2.92Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.83Å; E71-Q74 PolarHBondContact O-N 3.42Å; E71-N75 WeakPolarHBondContact O-CB 3.02Å; E71-N75 VanDerWaalsContact O-CG 3.22Å; E71-N75 PolarHBondContact O-N 3.19Å; E71-N75 PolarHBondContact O-ND2 2.72Å
72	K	69	Low	64.7	Low	108 Å²	108	72.8 Å²	72.8	47%	0.47	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.5	-72.1	170.8	-179	175.7	0	111.7	Q68 L69 N75 M76 L190	Q68-K72 WeakPolarHBondContact O-CB 3.32Å; Q68-K72 VanDerWaalsContact O-CG 3.22Å; Q68-K72 WeakPolarHBondContact O-CG 3.45Å; Q68-K72 PolarHBondContact O-N 3.18Å; L69-K72 PolarHBondContact O-N 2.93Å; K72-N75 PolarHBondContact O-N 3.21Å; K72-M76 WeakPolarHBondContact O-CB 3.23Å; K72-M76 PolarHBondContact O-N 3.28Å; K72-L190 HydrophobicContact CB-CD2 3.75Å; K72-L190 HydrophobicContact CD-CD2 4.14Å
73	V	68.6	Low	64.4	Low	7 Å²	7	68.9 Å²	68.9	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-39.3	176.9	170.2	0	0	0	0	111	L69 L70 M76 T77 V157 L164 L190	L69-V73 WeakPolarHBondContact O-CB 3.15Å; L69-V73 WeakPolarHBondContact O-CG2 3.47Å; L69-V73 PolarHBondContact O-N 3.45Å; L70-V73 PolarHBondContact O-N 2.91Å; V73-M76 PolarHBondContact O-N 3.12Å; V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 3.35Å; V73-T77 PolarHBondContact O-OG1 3.43Å; V73-V157 HydrophobicContact CG1-CG1 4.33Å; V73-L164 HydrophobicContact CB-CD1 4.19Å; V73-L164 HydrophobicContact CG1-CD1 4.41Å; V73-L164 HydrophobicContact CG2-CD1 3.69Å; V73-L190 HydrophobicContact CG2-CD1 4.24Å; V73-L190 HydrophobicContact CG2-CD2 4.21Å
74	Q	67.7	Low	64.5	Low	118 Å²	118	68.9 Å²	68.9	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-65.4	-44.5	176.2	-173.2	168.8	-5.4	0	0	111.6	L70 E71 M76 T77 Q78	L70-Q74 VanDerWaalsContact O-CB 3.23Å; L70-Q74 WeakPolarHBondContact O-CB 3.14Å; L70-Q74 PolarHBondContact O-N 3.3Å; E71-Q74 PolarHBondContact O-N 3.42Å; Q74-M76 VanDerWaalsContact C-N 3.35Å; Q74-M76 PolarHBondContact O-N 3.21Å; Q74-T77 WeakPolarHBondContact O-CB 3.47Å; Q74-T77 PolarHBondContact O-N 2.93Å; Q74-Q78 WeakPolarHBondContact O-CG 3.42Å; Q74-Q78 PolarHBondContact O-N 3.42Å
75	N	65.1	Low	64.6	Low	96 Å²	96	69 Å²	69	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-44.8	174.5	-72.3	-16.6	0	0	0	111.3	E71 K72 Q78 S79	E71-N75 WeakPolarHBondContact O-CB 3.02Å; E71-N75 VanDerWaalsContact O-CG 3.22Å; E71-N75 PolarHBondContact O-N 3.19Å; E71-N75 PolarHBondContact O-ND2 2.72Å; K72-N75 PolarHBondContact O-N 3.21Å; N75-Q78 WeakPolarHBondContact O-CB 3.35Å; N75-Q78 PolarHBondContact O-N 2.96Å; N75-S79 PolarHBondContact O-N 3.11Å; N75-S79 PolarHBondContact O-OG 3.49Å
76	M	64.3	Low	64.4	Low	4 Å²	4	69 Å²	69	2%	0.02	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-37.4	176.9	-173.6	-180	54.7	0	0	112.3	K72 V73 Q74 Q78 S79 I80 V157 L160 L190 C193 M194 L197	K72-M76 WeakPolarHBondContact O-CB 3.23Å; K72-M76 PolarHBondContact O-N 3.28Å; V73-M76 PolarHBondContact O-N 3.12Å; Q74-M76 VanDerWaalsContact C-N 3.35Å; Q74-M76 PolarHBondContact O-N 3.21Å; M76-Q78 VanDerWaalsContact C-N 3.29Å; M76-Q78 PolarHBondContact O-N 2.8Å; M76-S79 PolarHBondContact O-N 3.28Å; M76-I80 HydrophobicContact CG-CD1 3.91Å; M76-I80 HydrophobicContact CG-CG1 4.39Å; M76-I80 WeakPolarHBondContact O-CB 3.48Å; M76-I80 WeakPolarHBondContact O-CG1 3.48Å; M76-I80 PolarHBondContact O-N 2.76Å; M76-V157 HydrophobicContact CE-CB 4.28Å; M76-V157 HydrophobicContact CE-CG1 4.13Å; M76-V157 HydrophobicContact CE-CG2 3.25Å; M76-V157 HydrophobicContact CG-CG2 4.48Å; M76-V157 HydrophobicContact SD-CG2 4.05Å; M76-L160 HydrophobicContact CE-CD1 4.48Å; M76-L190 HydrophobicContact CE-CD1 3.08Å; M76-L190 HydrophobicContact SD-CD1 3.48Å; M76-L190 WeakPolarHBondContact SD-CD1 3.37Å; M76-C193 HydrophobicContact SD-CB 4.16Å; M76-C193 VanDerWaalsContact SD-SG 3.62Å; M76-M194 HydrophobicContact CB-SD 4.33Å; M76-M194 HydrophobicContact CG-SD 3.96Å; M76-M194 HydrophobicContact SD-CG 4.22Å; M76-M194 HydrophobicContact SD-SD 3.92Å; M76-L197 HydrophobicContact CG-CD1 4.01Å; M76-L197 HydrophobicContact SD-CD1 4.07Å
77	T	66.3	Low	64	Low	40 Å²	40	69.5 Å²	69.5	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-60.4	-42	174.6	-58.2	0	0	0	0	110.6	V73 Q74 I80 Q81 V157	V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 3.35Å; V73-T77 PolarHBondContact O-OG1 3.43Å; Q74-T77 WeakPolarHBondContact O-CB 3.47Å; Q74-T77 PolarHBondContact O-N 2.93Å; T77-I80 PolarHBondContact O-N 2.89Å; T77-Q81 WeakPolarHBondContact O-CB 3.33Å; T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.49Å; T77-Q81 PolarHBondContact O-N 3.4Å; T77-V157 VanDerWaalsContact OG1-CG1 3.3Å; T77-V157 WeakPolarHBondContact OG1-CG1 3.36Å
78	Q	64.9	Low	63.9	Low	98 Å²	98	68.6 Å²	68.6	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-45.6	173.9	-69.5	174.6	-1.3	0	0	111.6	Q74 N75 M76 I80 Q81 V82	Q74-Q78 WeakPolarHBondContact O-CG 3.42Å; Q74-Q78 PolarHBondContact O-N 3.42Å; N75-Q78 WeakPolarHBondContact O-CB 3.35Å; N75-Q78 PolarHBondContact O-N 2.96Å; M76-Q78 VanDerWaalsContact C-N 3.29Å; M76-Q78 PolarHBondContact O-N 2.8Å; Q78-I80 VanDerWaalsContact C-N 3.33Å; Q78-I80 PolarHBondContact O-N 2.75Å; Q78-Q81 PolarHBondContact O-N 3.35Å; Q78-V82 WeakPolarHBondContact O-CG2 3.48Å; Q78-V82 PolarHBondContact O-N 2.89Å
79	S	61	Low	63.7	Low	72 Å²	72	71.5 Å²	71.5	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-42.2	176.3	-59.5	0	0	0	0	112.3	N75 M76 V82 L83	N75-S79 PolarHBondContact O-N 3.11Å; N75-S79 PolarHBondContact O-OG 3.49Å; M76-S79 PolarHBondContact O-N 3.28Å; S79-V82 PolarHBondContact O-N 2.97Å; S79-L83 WeakPolarHBondContact O-CB 3.33Å; S79-L83 PolarHBondContact O-N 3.49Å
80	I	62	Low	63.5	Low	5 Å²	5	73.2 Å²	73.2	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-67.8	-39	176	-70.4	167.5	0	0	0	111	M76 T77 Q78 V82 L83 D84 F153 K154 V157 L197	M76-I80 HydrophobicContact CG-CD1 3.91Å; M76-I80 HydrophobicContact CG-CG1 4.39Å; M76-I80 WeakPolarHBondContact O-CB 3.48Å; M76-I80 WeakPolarHBondContact O-CG1 3.48Å; M76-I80 PolarHBondContact O-N 2.76Å; T77-I80 PolarHBondContact O-N 2.89Å; Q78-I80 VanDerWaalsContact C-N 3.33Å; Q78-I80 PolarHBondContact O-N 2.75Å; I80-V82 VanDerWaalsContact C-N 3.35Å; I80-L83 CarbonylContact O-C 3.59Å; I80-L83 PolarHBondContact O-N 2.81Å; I80-D84 WeakPolarHBondContact O-CB 3.44Å; I80-D84 PolarHBondContact O-N 2.8Å; I80-F153 HydrophobicContact CD1-CB 4.05Å; I80-K154 HydrophobicContact CG2-CB 4.27Å; I80-V157 HydrophobicContact CD1-CB 4.12Å; I80-V157 HydrophobicContact CD1-CG2 3.34Å; I80-L197 HydrophobicContact CD1-CD1 4.33Å; I80-L197 HydrophobicContact CG1-CD1 4.25Å; I80-L197 HydrophobicContact CG1-CD2 4.25Å
81	Q	65.4	Low	63.1	Low	107 Å²	107	73.9 Å²	73.9	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-41.9	175.6	-79.7	175	-14.2	0	0	111.9	T77 Q78 L83 D84 Q85	T77-Q81 WeakPolarHBondContact O-CB 3.33Å; T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.49Å; T77-Q81 PolarHBondContact O-N 3.4Å; Q78-Q81 PolarHBondContact O-N 3.35Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; Q81-D84 PolarHBondContact O-N 3Å; Q81-Q85 WeakPolarHBondContact O-CB 3.47Å; Q81-Q85 WeakPolarHBondContact O-CG 3.37Å; Q81-Q85 PolarHBondContact O-N 2.93Å
82	V	65.3	Low	62.9	Low	96 Å²	96	73.7 Å²	73.7	58%	0.582	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-43.2	174.6	172.4	0	0	0	0	110.5	Q78 S79 I80 R86	Q78-V82 WeakPolarHBondContact O-CG2 3.48Å; Q78-V82 PolarHBondContact O-N 2.89Å; S79-V82 PolarHBondContact O-N 2.97Å; I80-V82 VanDerWaalsContact C-N 3.35Å; V82-R86 WeakPolarHBondContact O-CB 3.34Å; V82-R86 PolarHBondContact O-N 3.34Å; V82-R86 VanDerWaalsContact O-N 3.12Å
83	L	54.5	Low	62.5	Low	56 Å²	56	76 Å²	76	29%	0.293	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-45.4	177.6	-166.9	64.9	0	0	0	111.5	S79 I80 Q81 Q85 R86 T87 V150 L197	S79-L83 WeakPolarHBondContact O-CB 3.33Å; S79-L83 PolarHBondContact O-N 3.49Å; I80-L83 CarbonylContact O-C 3.59Å; I80-L83 PolarHBondContact O-N 2.81Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; L83-Q85 PolarHBondContact O-N 3.2Å; L83-R86 CarbonylContact O-C 3.4Å; L83-R86 WeakPolarHBondContact O-CB 3.42Å; L83-R86 PolarHBondContact O-N 2.71Å; L83-R86 VanDerWaalsContact O-N 3.11Å; L83-T87 WeakPolarHBondContact O-CB 3.37Å; L83-T87 PolarHBondContact O-N 3.07Å; L83-T87 PolarHBondContact O-OG1 3.34Å; L83-V150 HydrophobicContact CD2-CG2 3.55Å; L83-V150 HydrophobicContact CG-CG2 3.91Å; L83-L197 HydrophobicContact CD2-CD2 3.73Å
84	D	59.1	Low	62	Low	25 Å²	25	76.8 Å²	76.8	13%	0.134	37%	0.372	C	S	.	.	H	α-helix	trans	-58.8	-48.2	177	-172.5	42.2	0	0	0	110.8	I80 Q81 R86 T87 Q88 V150 K154	I80-D84 WeakPolarHBondContact O-CB 3.44Å; I80-D84 PolarHBondContact O-N 2.8Å; Q81-D84 PolarHBondContact O-N 3Å; D84-R86 PolarHBondContact O-N 3.25Å; D84-T87 PolarHBondContact O-N 3.26Å; D84-Q88 WeakPolarHBondContact O-CB 3.33Å; D84-Q88 PolarHBondContact O-N 3.47Å; D84-V150 HydrophobicContact CB-CG1 4.35Å; D84-K154 IonicContact OD2-NZ 3.36Å; D84-K154 PolarHBondContact OD2-NZ 2.85Å
85	Q	65.1	Low	61.7	Low	127 Å²	127	76.2 Å²	76.2	59%	0.593	37%	0.369	S	S	*	.	H	α-helix	trans	-59.9	-36	175.7	-76	-178.7	-2.9	0	0	112.7	Q81 L83 R89	Q81-Q85 WeakPolarHBondContact O-CB 3.47Å; Q81-Q85 WeakPolarHBondContact O-CG 3.37Å; Q81-Q85 PolarHBondContact O-N 2.93Å; L83-Q85 PolarHBondContact O-N 3.2Å; Q85-R89 PolarHBondContact O-N 3.29Å
86	R	58.4	Low	61.8	Low	71 Å²	71	78.3 Å²	78.3	27%	0.268	37%	0.374	S	S	.	.	H	α-helix	trans	-73.5	-49.6	177.6	-167.7	-176.2	-166.5	128.5	1.4	111.5	V82 L83 D84 Q88 R89 D90 I452 R453	V82-R86 WeakPolarHBondContact O-CB 3.34Å; V82-R86 PolarHBondContact O-N 3.34Å; V82-R86 VanDerWaalsContact O-N 3.12Å; L83-R86 CarbonylContact O-C 3.4Å; L83-R86 WeakPolarHBondContact O-CB 3.42Å; L83-R86 PolarHBondContact O-N 2.71Å; L83-R86 VanDerWaalsContact O-N 3.11Å; D84-R86 PolarHBondContact O-N 3.25Å; R86-Q88 VanDerWaalsContact C-N 3.27Å; R86-Q88 PolarHBondContact O-N 3Å; R86-R89 WeakPolarHBondContact O-CB 3.36Å; R86-R89 PolarHBondContact O-N 3.43Å; R86-R89 VanDerWaalsContact O-N 3.13Å; R86-D90 PolarHBondContact O-N 2.94Å; R86-I452 VanDerWaalsContact NH2-CG2 3.26Å; R86-R453 PolarHBondContact NH2-O 3.08Å
87	T	55.6	Low	61.7	Low	24 Å²	24	80 Å²	80	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-57.3	-41.1	175.9	-62.2	0	0	0	0	111.1	L83 D84 R89 D90 L91 A147	L83-T87 WeakPolarHBondContact O-CB 3.37Å; L83-T87 PolarHBondContact O-N 3.07Å; L83-T87 PolarHBondContact O-OG1 3.34Å; D84-T87 PolarHBondContact O-N 3.26Å; T87-R89 VanDerWaalsContact C-N 3.34Å; T87-R89 PolarHBondContact O-N 2.96Å; T87-D90 PolarHBondContact O-N 2.84Å; T87-L91 WeakPolarHBondContact O-CB 3.2Å; T87-L91 PolarHBondContact O-N 3.21Å; T87-A147 HydrophobicContact CG2-CB 3.38Å
88	Q	62	Low	61.6	Low	113 Å²	113	82 Å²	82	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-67.5	-35.7	179.4	-150.2	168.2	28.9	0	0	111.8	D84 R86 Q92	D84-Q88 WeakPolarHBondContact O-CB 3.33Å; D84-Q88 PolarHBondContact O-N 3.47Å; R86-Q88 VanDerWaalsContact C-N 3.27Å; R86-Q88 PolarHBondContact O-N 3Å; Q88-Q92 WeakPolarHBondContact O-CG 3.44Å; Q88-Q92 PolarHBondContact O-N 2.88Å; Q88-Q92 VanDerWaalsContact O-N 3.13Å
89	R	64.8	Low	61.9	Low	168 Å²	168	82.3 Å²	82.3	63%	0.634	40%	0.397	S	S	*	.	H	α-helix	trans	-66.9	-46.6	172.6	-169	-171.5	-53.8	175.7	3.8	111.4	Q85 R86 T87 Q92 Y93	Q85-R89 PolarHBondContact O-N 3.29Å; R86-R89 WeakPolarHBondContact O-CB 3.36Å; R86-R89 PolarHBondContact O-N 3.43Å; R86-R89 VanDerWaalsContact O-N 3.13Å; T87-R89 VanDerWaalsContact C-N 3.34Å; T87-R89 PolarHBondContact O-N 2.96Å; R89-Q92 PolarHBondContact O-N 2.7Å; R89-Y93 PolarHBondContact O-N 3.48Å
90	D	57.1	Low	62.2	Low	39 Å²	39	85.4 Å²	85.4	21%	0.209	40%	0.403	C	S	.	.	H	α-helix	trans	-64.6	-43	178.8	-67.8	-9.8	0	0	0	110.4	R86 T87 Q92 Y93 V94 Y143	R86-D90 PolarHBondContact O-N 2.94Å; T87-D90 PolarHBondContact O-N 2.84Å; D90-Q92 PolarHBondContact O-N 2.84Å; D90-Y93 WeakPolarHBondContact O-CA 3.47Å; D90-Y93 WeakPolarHBondContact O-CB 3.38Å; D90-Y93 PolarHBondContact O-N 2.98Å; D90-V94 WeakPolarHBondContact O-CG2 3.43Å; D90-V94 PolarHBondContact O-N 3.31Å; D90-Y143 HydrophobicContact CB-CD1 4.24Å; D90-Y143 HydrophobicContact CB-CE1 3.93Å; D90-Y143 WeakPolarHBondContact OD2-CE1 3.41Å
91	L	58.2	Low	62.3	Low	62 Å²	62	87.2 Å²	87.2	33%	0.325	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-42	177.3	-163.2	85.8	0	0	0	111.8	T87 Y93 V94 E95 A147	T87-L91 WeakPolarHBondContact O-CB 3.2Å; T87-L91 PolarHBondContact O-N 3.21Å; L91-Y93 VanDerWaalsContact C-N 3.26Å; L91-Y93 PolarHBondContact O-N 3.32Å; L91-V94 PolarHBondContact O-N 2.95Å; L91-E95 WeakPolarHBondContact O-CB 3.41Å; L91-E95 WeakPolarHBondContact O-CG 3.49Å; L91-E95 PolarHBondContact O-N 2.97Å; L91-A147 HydrophobicContact CD1-CB 4.27Å
92	Q	65.9	Low	62.4	Low	112 Å²	112	89.4 Å²	89.4	52%	0.523	42%	0.417	S	S	.	.	H	α-helix	trans	-62.8	-34.2	174.8	-77	178.9	0.4	0	0	112.5	Q88 R89 D90 K96	Q88-Q92 WeakPolarHBondContact O-CG 3.44Å; Q88-Q92 PolarHBondContact O-N 2.88Å; Q88-Q92 VanDerWaalsContact O-N 3.13Å; R89-Q92 PolarHBondContact O-N 2.7Å; D90-Q92 PolarHBondContact O-N 2.84Å; Q92-K96 VanDerWaalsContact O-CG 3.27Å; Q92-K96 WeakPolarHBondContact O-CG 3.3Å; Q92-K96 PolarHBondContact O-N 2.91Å
93	Y	60.8	Low	62.8	Low	155 Å²	155	86.2 Å²	86.2	61%	0.608	40%	0.403	S	S	*	.	H	α-helix	trans	-69.8	-41.7	174.8	-171.2	-100.3	0	0	0	111.1	R89 D90 L91 K96 M97	R89-Y93 PolarHBondContact O-N 3.48Å; D90-Y93 WeakPolarHBondContact O-CA 3.47Å; D90-Y93 WeakPolarHBondContact O-CB 3.38Å; D90-Y93 PolarHBondContact O-N 2.98Å; L91-Y93 VanDerWaalsContact C-N 3.26Å; L91-Y93 PolarHBondContact O-N 3.32Å; Y93-K96 PolarHBondContact O-N 2.86Å; Y93-M97 HydrophobicContact CD1-CE 3.41Å; Y93-M97 VanDerWaalsContact CD1-CE 3.41Å; Y93-M97 HydrophobicContact CD1-SD 4.15Å; Y93-M97 HydrophobicContact CE1-CE 3.4Å; Y93-M97 HydrophobicContact CE1-CG 4.26Å; Y93-M97 HydrophobicContact CE1-SD 3.57Å; Y93-M97 VanDerWaalsContact CE1-SD 3.57Å; Y93-M97 PolarHBondContact O-N 3.39Å
94	V	57.8	Low	63.4	Low	24 Å²	24	86.2 Å²	86.2	15%	0.145	40%	0.403	C	S	.	.	H	α-helix	trans	-62.6	-48.3	174.7	171.6	0	0	0	0	112.1	D90 L91 K96 M97 E98 L140	D90-V94 WeakPolarHBondContact O-CG2 3.43Å; D90-V94 PolarHBondContact O-N 3.31Å; L91-V94 PolarHBondContact O-N 2.95Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 3.37Å; V94-M97 HydrophobicContact CG2-CE 4.43Å; V94-M97 CarbonylContact O-C 3.55Å; V94-M97 PolarHBondContact O-N 3.29Å; V94-E98 PolarHBondContact O-N 3.48Å; V94-L140 HydrophobicContact CB-CD2 3.91Å; V94-L140 HydrophobicContact CG1-CB 4.41Å; V94-L140 HydrophobicContact CG1-CD1 4.34Å; V94-L140 HydrophobicContact CG1-CD2 3.52Å; V94-L140 HydrophobicContact CG1-CG 4.29Å; V94-L140 HydrophobicContact CG2-CD2 3.28Å
95	E	62.2	Low	63.5	Low	106 Å²	106	90.6 Å²	90.6	50%	0.495	42%	0.423	S	S	.	.	H	α-helix	trans	-58.8	-41.5	177.9	-76.9	180	163	0	0	111.3	L91 M97 E98 V99	L91-E95 WeakPolarHBondContact O-CB 3.41Å; L91-E95 WeakPolarHBondContact O-CG 3.49Å; L91-E95 PolarHBondContact O-N 2.97Å; E95-M97 PolarHBondContact O-N 3.14Å; E95-E98 PolarHBondContact O-N 2.89Å; E95-V99 VanDerWaalsContact O-CG2 3.3Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 3.14Å
96	K	67.8	Low	63.9	Low	141 Å²	141	88.5 Å²	88.5	61%	0.613	42%	0.419	S	S	*	.	H	α-helix	trans	-62	-42.5	173.9	-76	173.9	-175.2	174.3	0	112	Q92 Y93 V94 Q100	Q92-K96 VanDerWaalsContact O-CG 3.27Å; Q92-K96 WeakPolarHBondContact O-CG 3.3Å; Q92-K96 PolarHBondContact O-N 2.91Å; Y93-K96 PolarHBondContact O-N 2.86Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 3.37Å; K96-Q100 WeakPolarHBondContact O-CG 3.16Å; K96-Q100 PolarHBondContact O-N 3.43Å; K96-Q100 VanDerWaalsContact O-N 3.11Å
97	M	62	Low	64.3	Low	39 Å²	39	91.6 Å²	91.6	19%	0.192	43%	0.434	C	S	.	.	H	α-helix	trans	-67.6	-38.2	176.3	-77.5	-169.5	-62.7	0	0	112.5	Y93 V94 E95 Q100 L101 L140	Y93-M97 HydrophobicContact CD1-CE 3.41Å; Y93-M97 VanDerWaalsContact CD1-CE 3.41Å; Y93-M97 HydrophobicContact CD1-SD 4.15Å; Y93-M97 HydrophobicContact CE1-CE 3.4Å; Y93-M97 HydrophobicContact CE1-CG 4.26Å; Y93-M97 HydrophobicContact CE1-SD 3.57Å; Y93-M97 VanDerWaalsContact CE1-SD 3.57Å; Y93-M97 PolarHBondContact O-N 3.39Å; V94-M97 HydrophobicContact CG2-CE 4.43Å; V94-M97 CarbonylContact O-C 3.55Å; V94-M97 PolarHBondContact O-N 3.29Å; E95-M97 PolarHBondContact O-N 3.14Å; M97-Q100 WeakPolarHBondContact O-CB 3.43Å; M97-Q100 PolarHBondContact O-N 2.8Å; M97-L101 WeakPolarHBondContact O-CB 3.21Å; M97-L101 PolarHBondContact O-N 3.26Å; M97-L140 HydrophobicContact CE-CD2 4.06Å
98	E	62.8	Low	64.7	Low	82 Å²	82	93 Å²	93	38%	0.383	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-43.8	176.2	-168.9	-170.1	158.6	0	0	111	V94 E95 Q100 L101 R102	V94-E98 PolarHBondContact O-N 3.48Å; E95-E98 PolarHBondContact O-N 2.89Å; E98-Q100 VanDerWaalsContact C-N 3.29Å; E98-Q100 PolarHBondContact O-N 2.74Å; E98-L101 WeakPolarHBondContact O-CB 3.23Å; E98-L101 PolarHBondContact O-N 2.82Å; E98-R102 WeakPolarHBondContact O-CG 3.29Å; E98-R102 PolarHBondContact O-N 2.84Å; E98-R102 IonicContact OE1-CZ 2.82Å; E98-R102 VanDerWaalsContact OE1-CZ 3.26Å; E98-R102 IonicContact OE1-NE 3.19Å; E98-R102 PolarHBondContact OE1-NE 3.49Å; E98-R102 IonicContact OE1-NH2 3.02Å; E98-R102 PolarHBondContact OE1-NH2 3.49Å
99	V	72.9	Confident	64.8	Low	104 Å²	104	93.4 Å²	93.4	63%	0.63	44%	0.439	S	S	*	.	H	α-helix	trans	-60.9	-40.1	175	171.7	0	0	0	0	111.1	E95 G103	E95-V99 VanDerWaalsContact O-CG2 3.3Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 3.14Å; V99-G103 PolarHBondContact O-N 3.48Å
100	Q	66.3	Low	64.9	Low	137 Å²	137	91.4 Å²	91.4	64%	0.64	44%	0.436	S	S	*	.	H	α-helix	trans	-65.5	-40.4	174.7	-73.4	-178.6	-8.2	0	0	112.4	K96 M97 E98 G103 L104	K96-Q100 WeakPolarHBondContact O-CG 3.16Å; K96-Q100 PolarHBondContact O-N 3.43Å; K96-Q100 VanDerWaalsContact O-N 3.11Å; M97-Q100 WeakPolarHBondContact O-CB 3.43Å; M97-Q100 PolarHBondContact O-N 2.8Å; E98-Q100 VanDerWaalsContact C-N 3.29Å; E98-Q100 PolarHBondContact O-N 2.74Å; Q100-G103 PolarHBondContact O-N 2.89Å; Q100-L104 PolarHBondContact O-N 3.43Å
101	L	64.8	Low	65.2	Low	44 Å²	44	91.8 Å²	91.8	23%	0.23	44%	0.44	C	S	.	.	H	α-helix	trans	-63.8	-47.8	175.9	-93.5	154.2	0	0	0	111.8	M97 E98 G103 L104 E105 L133	M97-L101 WeakPolarHBondContact O-CB 3.21Å; M97-L101 PolarHBondContact O-N 3.26Å; E98-L101 WeakPolarHBondContact O-CB 3.23Å; E98-L101 PolarHBondContact O-N 2.82Å; L101-G103 VanDerWaalsContact C-N 3.3Å; L101-G103 PolarHBondContact O-N 3.4Å; L101-L104 WeakPolarHBondContact O-CA 3.38Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 2.88Å; L101-L104 VanDerWaalsContact O-N 3.08Å; L101-E105 PolarHBondContact O-N 3.46Å; L101-L133 HydrophobicContact CD2-CB 4.29Å; L101-L133 HydrophobicContact CD2-CD1 3.95Å; L101-L133 HydrophobicContact CG-CD1 4.27Å
102	R	67.9	Low	65.2	Low	152 Å²	152	95 Å²	95	57%	0.574	45%	0.453	S	S	*	.	H	α-helix	trans	-61.7	-38.8	175.3	-73.3	-179.7	-175.1	-92.3	1.8	112	E98 L104 E105 T106	E98-R102 WeakPolarHBondContact O-CG 3.29Å; E98-R102 PolarHBondContact O-N 2.84Å; E98-R102 IonicContact OE1-CZ 2.82Å; E98-R102 VanDerWaalsContact OE1-CZ 3.26Å; E98-R102 IonicContact OE1-NE 3.19Å; E98-R102 PolarHBondContact OE1-NE 3.49Å; E98-R102 IonicContact OE1-NH2 3.02Å; E98-R102 PolarHBondContact OE1-NH2 3.49Å; R102-L104 VanDerWaalsContact C-N 3.31Å; R102-E105 PolarHBondContact O-N 2.82Å; R102-T106 PolarHBondContact O-N 3.25Å; R102-T106 PolarHBondContact O-OG1 3.4Å
103	G	71.9	Confident	65	Low	29 Å²	29	97.4 Å²	97.4	30%	0.299	47%	0.465	S	S	.	.	H	α-helix	trans	-64.5	-33.9	173.5	0	0	0	0	0	113.1	V99 Q100 L101 T106 K107	V99-G103 PolarHBondContact O-N 3.48Å; Q100-G103 PolarHBondContact O-N 2.89Å; L101-G103 VanDerWaalsContact C-N 3.3Å; L101-G103 PolarHBondContact O-N 3.4Å; G103-T106 WeakPolarHBondContact CA-OG1 3.32Å; G103-T106 PolarHBondContact O-OG1 2.94Å; G103-K107 WeakPolarHBondContact O-CG 3.38Å; G103-K107 PolarHBondContact O-N 2.92Å
104	L	67.4	Low	64.8	Low	57 Å²	57	95.9 Å²	95.9	30%	0.298	47%	0.467	S	S	.	.	H	α-helix	trans	-69.9	-40.1	172.6	-126.1	89.9	0	0	0	111.6	Q100 L101 R102 K107 F108 I126	Q100-L104 PolarHBondContact O-N 3.43Å; L101-L104 WeakPolarHBondContact O-CA 3.38Å; L101-L104 WeakPolarHBondContact O-CB 3.31Å; L101-L104 PolarHBondContact O-N 2.88Å; L101-L104 VanDerWaalsContact O-N 3.08Å; R102-L104 VanDerWaalsContact C-N 3.31Å; L104-K107 PolarHBondContact O-N 3.33Å; L104-F108 WeakPolarHBondContact O-CB 3.41Å; L104-F108 PolarHBondContact O-N 2.71Å; L104-I126 HydrophobicContact CD2-CG2 3.95Å
105	E	62.8	Low	65	Low	116 Å²	116	102 Å²	102	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-68.6	-36	179.5	-169.2	174.1	-170.7	0	0	112.5	L101 R102 F108 K109	L101-E105 PolarHBondContact O-N 3.46Å; R102-E105 PolarHBondContact O-N 2.82Å; E105-F108 WeakPolarHBondContact O-CB 3.43Å; E105-F108 PolarHBondContact O-N 2.92Å; E105-K109 PolarHBondContact O-N 3.09Å; E105-K109 VanDerWaalsContact O-N 3.12Å
106	T	71.9	Confident	64.5	Low	84 Å²	84	104.7 Å²	104.7	52%	0.515	50%	0.504	S	S	.	.	H	α-helix	trans	-68.2	-43.7	172.6	19.2	0	0	0	0	111.9	R102 G103 F108 K109 E110	R102-T106 PolarHBondContact O-N 3.25Å; R102-T106 PolarHBondContact O-OG1 3.4Å; G103-T106 WeakPolarHBondContact CA-OG1 3.32Å; G103-T106 PolarHBondContact O-OG1 2.94Å; T106-F108 PolarHBondContact O-N 3.22Å; T106-K109 PolarHBondContact O-N 3.37Å; T106-K109 VanDerWaalsContact O-N 3.15Å; T106-E110 PolarHBondContact O-N 2.8Å
107	K	67.5	Low	63.9	Low	136 Å²	136	106.9 Å²	106.9	59%	0.591	52%	0.516	S	S	*	.	H	α-helix	trans	-61.3	-31.4	172.3	-74.5	177.2	180	-179.8	0	112.4	G103 L104 V111	G103-K107 WeakPolarHBondContact O-CG 3.38Å; G103-K107 PolarHBondContact O-N 2.92Å; L104-K107 PolarHBondContact O-N 3.33Å; K107-V111 WeakPolarHBondContact O-CB 3.43Å; K107-V111 WeakPolarHBondContact O-CG2 3.37Å; K107-V111 PolarHBondContact O-N 3.45Å
108	F	63.2	Low	63.6	Low	53 Å²	53	111.3 Å²	111.3	23%	0.232	54%	0.54	C	S	.	.	H	α-helix	trans	-64.3	-46.8	173.5	-179.2	-87	0	0	0	111.4	L104 E105 T106 E110 V111 E112 Y123	L104-F108 WeakPolarHBondContact O-CB 3.41Å; L104-F108 PolarHBondContact O-N 2.71Å; E105-F108 WeakPolarHBondContact O-CB 3.43Å; E105-F108 PolarHBondContact O-N 2.92Å; T106-F108 PolarHBondContact O-N 3.22Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.48Å; F108-V111 PolarHBondContact O-N 2.91Å; F108-E112 WeakPolarHBondContact CE1-OE2 3.44Å; F108-E112 WeakPolarHBondContact O-CB 3.37Å; F108-E112 PolarHBondContact O-N 3.14Å; F108-Y123 HydrophobicContact CD2-CE2 4.07Å; F108-Y123 HydrophobicContact CE2-CD2 4.28Å; F108-Y123 AromaticContact CE2-CE2 3.32Å; F108-Y123 HydrophobicContact CE2-CE2 3.32Å; F108-Y123 AromaticContact CE2-CZ 3.62Å; F108-Y123 WeakPolarHBondContact CE2-OH 3.46Å; F108-Y123 AromaticContact CZ-CE2 3.91Å; F108-Y123 HydrophobicContact CZ-CE2 3.91Å; F108-Y123 WeakPolarHBondContact CZ-OH 3.4Å
109	K	64.7	Low	63.2	Low	122 Å²	122	109 Å²	109	53%	0.53	53%	0.531	S	S	.	.	H	α-helix	trans	-60.1	-41.9	175.6	-74.8	-175.9	175.8	-179.5	0	112.3	E105 T106 V111 E112 E113	E105-K109 PolarHBondContact O-N 3.09Å; E105-K109 VanDerWaalsContact O-N 3.12Å; T106-K109 PolarHBondContact O-N 3.37Å; T106-K109 VanDerWaalsContact O-N 3.15Å; K109-V111 VanDerWaalsContact C-N 3.32Å; K109-V111 PolarHBondContact O-N 2.88Å; K109-E112 PolarHBondContact O-N 2.77Å; K109-E113 WeakPolarHBondContact O-CB 3.48Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 2.71Å
110	E	66.3	Low	62.5	Low	126 Å²	126	108.1 Å²	108.1	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-33.8	176.2	-76	-178.3	153.6	0	0	113.3	T106 F108 N114	T106-E110 PolarHBondContact O-N 2.8Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.48Å; E110-N114 WeakPolarHBondContact O-CB 3.36Å; E110-N114 PolarHBondContact O-N 3.02Å
111	V	64.3	Low	62.2	Low	46 Å²	46	110.3 Å²	110.3	28%	0.279	54%	0.541	S	S	.	.	H	α-helix	trans	-79.2	-29.7	176.8	171.6	0	0	0	0	112	K107 F108 K109 I119	K107-V111 WeakPolarHBondContact O-CB 3.43Å; K107-V111 WeakPolarHBondContact O-CG2 3.37Å; K107-V111 PolarHBondContact O-N 3.45Å; F108-V111 PolarHBondContact O-N 2.91Å; K109-V111 VanDerWaalsContact C-N 3.32Å; K109-V111 PolarHBondContact O-N 2.88Å; V111-I119 HydrophobicContact CG1-CG1 4.41Å; V111-I119 HydrophobicContact CG1-CG2 3.77Å
112	E	58.1	Low	62.1	Low	131 Å²	131	113.8 Å²	113.8	61%	0.612	56%	0.556	S	S	*	*	H	α-helix	trans	-70.6	-37.4	172.7	-171.4	169.9	-153.6	0	0	111.3	F108 K109	F108-E112 WeakPolarHBondContact CE1-OE2 3.44Å; F108-E112 WeakPolarHBondContact O-CB 3.37Å; F108-E112 PolarHBondContact O-N 3.14Å; K109-E112 PolarHBondContact O-N 2.77Å
113	E	62	Low	61.8	Low	162 Å²	162	111.1 Å²	111.1	76%	0.757	55%	0.547	S	S	*	.	H	α-helix	trans	-79.2	-25.3	178.9	-72.1	-178.6	175.8	0	0	114	K109	K109-E113 WeakPolarHBondContact O-CB 3.48Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 2.71Å
114	N	57.1	Low	61.5	Low	122 Å²	122	117.3 Å²	117.3	65%	0.652	57%	0.566	S	S	*	*	S	Bend	trans	-112.5	111.9	179.7	-81.3	-47.6	0	0	0	113.4	E110 I119	E110-N114 WeakPolarHBondContact O-CB 3.36Å; E110-N114 PolarHBondContact O-N 3.02Å; N114-I119 WeakPolarHBondContact O-CD1 3.35Å
115	H	61.1	Low	61.5	Low	153 Å²	153	117.4 Å²	117.4	71%	0.708	57%	0.574	S	S	*	*			trans	-105.2	118.2	179.4	-144.5	71.8	0	0	0	113.4
116	K	51.9	Low	61.5	Low	163 Å²	163	114.6 Å²	114.6	71%	0.709	56%	0.563	S	S	*	*	S	Bend		171.3	142.2	115.6	-94.9	177.8	-178.9	175	0	114.4
117	Q	54.5	Low	61	Low	187 Å²	187	116 Å²	116	87%	0.874	56%	0.561	S	S	*	*	S	Bend	trans	85.5	-16.2	152.4	-73.3	176.1	-12.9	0	0	122.2
118	N	55.3	Low	61.1	Low	131 Å²	131	112.2 Å²	112.2	70%	0.701	56%	0.555	S	S	*	*	S	Bend	trans	-119.3	8.9	171.3	-118.3	-22.3	0	0	0	115.1
119	I	55.8	Low	61.3	Low	35 Å²	35	116.5 Å²	116.5	18%	0.179	57%	0.574	C	S	.	*	H	α-helix	trans	-82.7	-33.9	-161.7	-63	171.9	0	0	0	113.2	V111 N114 K121 Q122 Y123	V111-I119 HydrophobicContact CG1-CG1 4.41Å; V111-I119 HydrophobicContact CG1-CG2 3.77Å; N114-I119 WeakPolarHBondContact O-CD1 3.35Å; I119-K121 PolarHBondContact O-N 3.09Å; I119-Q122 PolarHBondContact O-N 2.62Å; I119-Y123 HydrophobicContact CG2-CD2 4.47Å; I119-Y123 WeakPolarHBondContact O-CA 3.36Å; I119-Y123 WeakPolarHBondContact O-CB 3.38Å; I119-Y123 PolarHBondContact O-N 2.91Å
120	A	58	Low	61.2	Low	84 Å²	84	115.3 Å²	115.3	69%	0.694	57%	0.572	S	S	*	*	H	α-helix	trans	-63.9	-38	-170.8	0	0	0	0	0	114.2	K124	A120-K124 WeakPolarHBondContact O-CB 3.44Å; A120-K124 PolarHBondContact O-N 3.04Å
121	K	60	Low	61	Low	184 Å²	184	115.2 Å²	115.2	80%	0.8	57%	0.571	S	S	*	*	H	α-helix	trans	-74	-43.1	177.3	-108.3	-177.4	178.2	179.2	0	111.9	I119 K124 A125	I119-K121 PolarHBondContact O-N 3.09Å; K121-K124 PolarHBondContact O-N 2.77Å; K121-A125 WeakPolarHBondContact O-CB 3.49Å; K121-A125 PolarHBondContact O-N 2.74Å
122	Q	62.5	Low	61.2	Low	117 Å²	117	116.2 Å²	116.2	55%	0.547	58%	0.584	S	S	.	*	H	α-helix	trans	-67.4	-43.5	177.2	-74	-177	-14	0	0	111.5	I119 K124 A125 I126	I119-Q122 PolarHBondContact O-N 2.62Å; Q122-K124 PolarHBondContact O-N 3.26Å; Q122-A125 PolarHBondContact O-N 3.5Å; Q122-I126 WeakPolarHBondContact O-CB 3.41Å; Q122-I126 VanDerWaalsContact O-CG1 3.22Å; Q122-I126 WeakPolarHBondContact O-CG1 3.23Å; Q122-I126 PolarHBondContact O-N 3.31Å
123	Y	62.2	Low	61.3	Low	96 Å²	96	112.5 Å²	112.5	38%	0.376	57%	0.568	S	S	.	*	H	α-helix	trans	-62.6	-41.7	175.2	-166.1	-89.6	0	0	0	111.7	F108 I119 I126 K127	F108-Y123 HydrophobicContact CD2-CE2 4.07Å; F108-Y123 HydrophobicContact CE2-CD2 4.28Å; F108-Y123 AromaticContact CE2-CE2 3.32Å; F108-Y123 HydrophobicContact CE2-CE2 3.32Å; F108-Y123 AromaticContact CE2-CZ 3.62Å; F108-Y123 WeakPolarHBondContact CE2-OH 3.46Å; F108-Y123 AromaticContact CZ-CE2 3.91Å; F108-Y123 HydrophobicContact CZ-CE2 3.91Å; F108-Y123 WeakPolarHBondContact CZ-OH 3.4Å; I119-Y123 HydrophobicContact CG2-CD2 4.47Å; I119-Y123 WeakPolarHBondContact O-CA 3.36Å; I119-Y123 WeakPolarHBondContact O-CB 3.38Å; I119-Y123 PolarHBondContact O-N 2.91Å; Y123-I126 PolarHBondContact O-N 3.34Å; Y123-K127 WeakPolarHBondContact O-CB 3.33Å; Y123-K127 PolarHBondContact O-N 3.04Å
124	K	64.3	Low	61.1	Low	159 Å²	159	113.9 Å²	113.9	69%	0.691	57%	0.567	S	S	*	*	H	α-helix	trans	-65.6	-39.9	175.6	-167.9	174.2	-175.6	179	0	112.2	A120 K121 Q122 A128	A120-K124 WeakPolarHBondContact O-CB 3.44Å; A120-K124 PolarHBondContact O-N 3.04Å; K121-K124 PolarHBondContact O-N 2.77Å; Q122-K124 PolarHBondContact O-N 3.26Å; K124-A128 VanDerWaalsContact O-CB 3.27Å; K124-A128 WeakPolarHBondContact O-CB 3.16Å; K124-A128 PolarHBondContact O-N 3.21Å
125	A	67.6	Low	61.4	Low	58 Å²	58	112.1 Å²	112.1	48%	0.479	56%	0.562	S	S	.	*	H	α-helix	trans	-68.2	-40.5	176.2	0	0	0	0	0	112.5	K121 Q122 K129	K121-A125 WeakPolarHBondContact O-CB 3.49Å; K121-A125 PolarHBondContact O-N 2.74Å; Q122-A125 PolarHBondContact O-N 3.5Å; A125-K129 PolarHBondContact O-N 2.74Å
126	I	63.4	Low	61.4	Low	58 Å²	58	107.8 Å²	107.8	30%	0.297	54%	0.544	S	S	.	.	H	α-helix	trans	-69.8	-44.6	177.3	-68.9	166.6	0	0	0	110.6	L104 Q122 Y123 A128 K129 M130	L104-I126 HydrophobicContact CD2-CG2 3.95Å; Q122-I126 WeakPolarHBondContact O-CB 3.41Å; Q122-I126 VanDerWaalsContact O-CG1 3.22Å; Q122-I126 WeakPolarHBondContact O-CG1 3.23Å; Q122-I126 PolarHBondContact O-N 3.31Å; Y123-I126 PolarHBondContact O-N 3.34Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.42Å; I126-K129 CarbonylContact O-C 3.46Å; I126-K129 PolarHBondContact O-N 3.26Å; I126-K129 VanDerWaalsContact O-N 3.16Å; I126-M130 WeakPolarHBondContact O-CB 3.18Å; I126-M130 PolarHBondContact O-N 3.38Å
127	K	62	Low	61.6	Low	113 Å²	113	104 Å²	104	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-59	-42.8	173.8	-175.5	178.4	178.4	-178.9	0	111.7	Y123 M130 E131	Y123-K127 WeakPolarHBondContact O-CB 3.33Å; Y123-K127 PolarHBondContact O-N 3.04Å; K127-M130 PolarHBondContact O-N 3.4Å; K127-E131 PolarHBondContact O-N 2.88Å
128	A	68.9	Low	61.7	Low	56 Å²	56	97.7 Å²	97.7	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-40.8	175.1	0	0	0	0	0	112.2	K124 I126 M130 A132	K124-A128 VanDerWaalsContact O-CB 3.27Å; K124-A128 WeakPolarHBondContact O-CB 3.16Å; K124-A128 PolarHBondContact O-N 3.21Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.42Å; A128-M130 VanDerWaalsContact C-N 3.35Å; A128-A132 WeakPolarHBondContact O-CB 3.3Å; A128-A132 PolarHBondContact O-N 3.43Å
129	K	67.6	Low	61.9	Low	144 Å²	144	92.9 Å²	92.9	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-65.3	-36.9	172.8	-79.4	-166.1	173.6	-167.9	0	112.6	A125 I126 A132 L133	A125-K129 PolarHBondContact O-N 2.74Å; I126-K129 CarbonylContact O-C 3.46Å; I126-K129 PolarHBondContact O-N 3.26Å; I126-K129 VanDerWaalsContact O-N 3.16Å; K129-A132 WeakPolarHBondContact O-CB 3.34Å; K129-A132 PolarHBondContact O-N 3.06Å; K129-L133 WeakPolarHBondContact O-CB 3.34Å; K129-L133 VanDerWaalsContact O-CG 3.3Å; K129-L133 WeakPolarHBondContact O-CG 3.46Å; K129-L133 PolarHBondContact O-N 3.28Å
130	M	61.6	Low	62	Low	97 Å²	97	92.6 Å²	92.6	48%	0.478	48%	0.48	S	S	.	.	H	α-helix	trans	-72.2	-37.7	179.1	-153.6	162.4	112	0	0	111.8	I126 K127 A128 A132 L133 R134	I126-M130 WeakPolarHBondContact O-CB 3.18Å; I126-M130 PolarHBondContact O-N 3.38Å; K127-M130 PolarHBondContact O-N 3.4Å; A128-M130 VanDerWaalsContact C-N 3.35Å; M130-A132 VanDerWaalsContact C-N 3.28Å; M130-A132 PolarHBondContact O-N 3.07Å; M130-L133 PolarHBondContact O-N 2.95Å; M130-R134 WeakPolarHBondContact O-CB 3.26Å; M130-R134 PolarHBondContact O-N 2.96Å
131	E	63.6	Low	62.1	Low	123 Å²	123	93 Å²	93	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-64	-33.2	168.8	-76.7	-170.9	-169	0	0	112.1	K127 P135	K127-E131 PolarHBondContact O-N 2.88Å; E131-P135 VanDerWaalsContact O-CD 3.23Å; E131-P135 WeakPolarHBondContact O-CD 3.27Å
132	A	67.8	Low	61.9	Low	68 Å²	68	87.9 Å²	87.9	56%	0.562	45%	0.446	S	S	*	.	H	α-helix	trans	-71.8	-30.5	172.6	0	0	0	0	0	113.4	A128 K129 M130 P135	A128-A132 WeakPolarHBondContact O-CB 3.3Å; A128-A132 PolarHBondContact O-N 3.43Å; K129-A132 WeakPolarHBondContact O-CB 3.34Å; K129-A132 PolarHBondContact O-N 3.06Å; M130-A132 VanDerWaalsContact C-N 3.28Å; M130-A132 PolarHBondContact O-N 3.07Å; A132-P135 WeakPolarHBondContact O-CD 3.4Å
133	L	61.2	Low	61.8	Low	53 Å²	53	84 Å²	84	28%	0.277	43%	0.427	S	S	.	.	H	α-helix	trans	-88.5	-22.2	-180	-70.6	171.9	0	0	0	113.7	L101 K129 M130 P135 L136	L101-L133 HydrophobicContact CD2-CB 4.29Å; L101-L133 HydrophobicContact CD2-CD1 3.95Å; L101-L133 HydrophobicContact CG-CD1 4.27Å; K129-L133 WeakPolarHBondContact O-CB 3.34Å; K129-L133 VanDerWaalsContact O-CG 3.3Å; K129-L133 WeakPolarHBondContact O-CG 3.46Å; K129-L133 PolarHBondContact O-N 3.28Å; M130-L133 PolarHBondContact O-N 2.95Å; L133-P135 VanDerWaalsContact C-CD 3.47Å; L133-L136 HydrophobicContact CD2-CD1 3.7Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 3.39Å
134	R	56.8	Low	61.7	Low	190 Å²	190	85.3 Å²	85.3	72%	0.717	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-39.7	-179.9	-166.5	177.6	-170.7	149.9	3.4	114	M130 L136 I137 P138	M130-R134 WeakPolarHBondContact O-CB 3.26Å; M130-R134 PolarHBondContact O-N 2.96Å; R134-L136 PolarHBondContact O-N 3.39Å; R134-I137 PolarHBondContact O-N 2.89Å; R134-P138 WeakPolarHBondContact O-CD 3.27Å
135	P	62.9	Low	61.4	Low	86 Å²	86	79.1 Å²	79.1	56%	0.558	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.8	175	-19	32.9	0	0	0	114.1	E131 A132 L133 P138	E131-P135 VanDerWaalsContact O-CD 3.23Å; E131-P135 WeakPolarHBondContact O-CD 3.27Å; A132-P135 WeakPolarHBondContact O-CD 3.4Å; L133-P135 VanDerWaalsContact C-CD 3.47Å; P135-P138 WeakPolarHBondContact O-CD 3.04Å
136	L	60.8	Low	60.9	Low	61 Å²	61	79.4 Å²	79.4	32%	0.319	41%	0.406	S	S	.	.	H	α-helix	trans	-79.8	-21.7	176.2	-77.7	144.9	0	0	0	112.1	L133 R134 V139 L140	L133-L136 HydrophobicContact CD2-CD1 3.7Å; L133-L136 WeakPolarHBondContact O-CB 3.49Å; L133-L136 PolarHBondContact O-N 3.39Å; R134-L136 PolarHBondContact O-N 3.39Å; L136-V139 WeakPolarHBondContact O-CB 3.43Å; L136-V139 PolarHBondContact O-N 3.01Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.24Å; L136-L140 PolarHBondContact O-N 2.88Å
137	I	57.9	Low	60.9	Low	85 Å²	85	77.2 Å²	77.2	44%	0.436	40%	0.397	S	S	.	.	H	α-helix	trans	-60.1	-48.7	-178.9	-63.4	170.9	0	0	0	112.5	R134 V139 L140 E141	R134-I137 PolarHBondContact O-N 2.89Å; I137-V139 VanDerWaalsContact C-N 3.26Å; I137-V139 PolarHBondContact O-N 3.1Å; I137-L140 PolarHBondContact O-N 3.26Å; I137-L140 VanDerWaalsContact O-N 3.14Å; I137-E141 PolarHBondContact O-N 3.07Å
138	P	55.4	Low	60.9	Low	54 Å²	54	78.4 Å²	78.4	35%	0.351	40%	0.402	S	S	.	.	H	α-helix	trans	-60.2	-37.6	176.4	-22.2	32.9	0	0	0	112.7	R134 P135 L140 E141 E142	R134-P138 WeakPolarHBondContact O-CD 3.27Å; P135-P138 WeakPolarHBondContact O-CD 3.04Å; P138-L140 VanDerWaalsContact C-N 3.35Å; P138-E141 PolarHBondContact O-N 3Å; P138-E142 WeakPolarHBondContact O-CB 3.35Å; P138-E142 PolarHBondContact O-N 2.94Å
139	V	60.1	Low	60.6	Low	30 Å²	30	78.2 Å²	78.2	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-63.7	-41.7	176.2	176	0	0	0	0	110.6	L136 I137 E142 Y143	L136-V139 WeakPolarHBondContact O-CB 3.43Å; L136-V139 PolarHBondContact O-N 3.01Å; I137-V139 VanDerWaalsContact C-N 3.26Å; I137-V139 PolarHBondContact O-N 3.1Å; V139-E142 WeakPolarHBondContact O-CB 3.45Å; V139-E142 PolarHBondContact O-N 3.37Å; V139-Y143 HydrophobicContact CG1-CD2 4.02Å; V139-Y143 HydrophobicContact CG1-CE2 4.19Å; V139-Y143 WeakPolarHBondContact O-CD2 3.3Å; V139-Y143 PolarHBondContact O-N 3.17Å
140	L	57.9	Low	60.4	Low	29 Å²	29	71.8 Å²	71.8	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-66.9	-39	177.8	-69.6	-179	0	0	0	112.6	V94 M97 L136 I137 P138 Y143 K144	V94-L140 HydrophobicContact CB-CD2 3.91Å; V94-L140 HydrophobicContact CG1-CB 4.41Å; V94-L140 HydrophobicContact CG1-CD1 4.34Å; V94-L140 HydrophobicContact CG1-CD2 3.52Å; V94-L140 HydrophobicContact CG1-CG 4.29Å; V94-L140 HydrophobicContact CG2-CD2 3.28Å; M97-L140 HydrophobicContact CE-CD2 4.06Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.24Å; L136-L140 PolarHBondContact O-N 2.88Å; I137-L140 PolarHBondContact O-N 3.26Å; I137-L140 VanDerWaalsContact O-N 3.14Å; P138-L140 VanDerWaalsContact C-N 3.35Å; L140-Y143 PolarHBondContact O-N 3.28Å; L140-K144 WeakPolarHBondContact O-CB 3.48Å; L140-K144 PolarHBondContact O-N 2.96Å
141	E	59	Low	60.6	Low	91 Å²	91	72.2 Å²	72.2	43%	0.425	37%	0.369	S	S	.	.	H	α-helix	trans	-67.6	-35.8	174.5	-73.3	-65.1	163	0	0	112	I137 P138 K144 A145	I137-E141 PolarHBondContact O-N 3.07Å; P138-E141 PolarHBondContact O-N 3Å; E141-K144 PolarHBondContact O-N 3.38Å; E141-K144 IonicContact OE2-NZ 2.75Å; E141-A145 WeakPolarHBondContact O-CB 3.22Å; E141-A145 PolarHBondContact O-N 2.88Å
142	E	57.5	Low	60.9	Low	77 Å²	77	71.2 Å²	71.2	36%	0.36	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-49.4	170.8	-171.5	177	-167.7	0	0	110.8	P138 V139 K144 A145 D146	P138-E142 WeakPolarHBondContact O-CB 3.35Å; P138-E142 PolarHBondContact O-N 2.94Å; V139-E142 WeakPolarHBondContact O-CB 3.45Å; V139-E142 PolarHBondContact O-N 3.37Å; E142-K144 VanDerWaalsContact C-N 3.29Å; E142-K144 PolarHBondContact O-N 3.28Å; E142-A145 WeakPolarHBondContact O-CB 3.5Å; E142-A145 PolarHBondContact O-N 3.33Å; E142-A145 VanDerWaalsContact O-N 3.07Å; E142-D146 PolarHBondContact O-N 3.27Å
143	Y	59.2	Low	60.8	Low	36 Å²	36	68.2 Å²	68.2	14%	0.141	34%	0.339	C	S	.	.	H	α-helix	trans	-56.8	-40.1	175.3	-100.3	-82.2	0	0	0	113.4	D90 V139 L140 D146 A147 V451 R453	D90-Y143 HydrophobicContact CB-CD1 4.24Å; D90-Y143 HydrophobicContact CB-CE1 3.93Å; D90-Y143 WeakPolarHBondContact OD2-CE1 3.41Å; V139-Y143 HydrophobicContact CG1-CD2 4.02Å; V139-Y143 HydrophobicContact CG1-CE2 4.19Å; V139-Y143 WeakPolarHBondContact O-CD2 3.3Å; V139-Y143 PolarHBondContact O-N 3.17Å; L140-Y143 PolarHBondContact O-N 3.28Å; Y143-D146 PolarHBondContact O-N 2.83Å; Y143-A147 WeakPolarHBondContact O-CB 3.35Å; Y143-A147 PolarHBondContact O-N 3.17Å; Y143-V451 HydrophobicContact CE2-CG1 4.48Å; Y143-R453 WeakPolarHBondContact OH-CB 3.41Å; Y143-R453 VanDerWaalsContact OH-CD 3.23Å; Y143-R453 WeakPolarHBondContact OH-CD 3.43Å; Y143-R453 WeakPolarHBondContact OH-CG 3.13Å
144	K	60.2	Low	61.1	Low	123 Å²	123	70.4 Å²	70.4	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-68.3	-38.4	176.9	-178.6	-178.3	174.8	-174.2	0	112	L140 E141 E142 A147 K148	L140-K144 WeakPolarHBondContact O-CB 3.48Å; L140-K144 PolarHBondContact O-N 2.96Å; E141-K144 PolarHBondContact O-N 3.38Å; E141-K144 IonicContact OE2-NZ 2.75Å; E142-K144 VanDerWaalsContact C-N 3.29Å; E142-K144 PolarHBondContact O-N 3.28Å; K144-A147 PolarHBondContact O-N 3.13Å; K144-K148 PolarHBondContact O-N 3.49Å
145	A	58.7	Low	62	Low	29 Å²	29	67.4 Å²	67.4	24%	0.24	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-44.4	174.4	0	0	0	0	0	111	E141 E142 A147 K148 L149 N403	E141-A145 WeakPolarHBondContact O-CB 3.22Å; E141-A145 PolarHBondContact O-N 2.88Å; E142-A145 WeakPolarHBondContact O-CB 3.5Å; E142-A145 PolarHBondContact O-N 3.33Å; E142-A145 VanDerWaalsContact O-N 3.07Å; A145-A147 PolarHBondContact O-N 3.09Å; A145-K148 PolarHBondContact O-N 2.93Å; A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 PolarHBondContact O-N 3.24Å; A145-N403 HydrophobicContact CB-CB 4.12Å
146	D	57.6	Low	62.4	Low	65 Å²	65	66.5 Å²	66.5	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-44	175.3	-70.7	-10.1	0	0	0	111.2	E142 Y143 K148 L149 V150	E142-D146 PolarHBondContact O-N 3.27Å; Y143-D146 PolarHBondContact O-N 2.83Å; D146-K148 VanDerWaalsContact C-N 3.32Å; D146-K148 PolarHBondContact O-N 3.09Å; D146-L149 WeakPolarHBondContact O-CB 3.45Å; D146-L149 PolarHBondContact O-N 3.46Å; D146-L149 VanDerWaalsContact O-N 3.1Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.4Å
147	A	61.5	Low	62.8	Low	12 Å²	12	63.9 Å²	63.9	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-40.7	176.9	0	0	0	0	0	112.8	T87 L91 Y143 K144 A145 L149 V150 L151	T87-A147 HydrophobicContact CG2-CB 3.38Å; L91-A147 HydrophobicContact CD1-CB 4.27Å; Y143-A147 WeakPolarHBondContact O-CB 3.35Å; Y143-A147 PolarHBondContact O-N 3.17Å; K144-A147 PolarHBondContact O-N 3.13Å; A145-A147 PolarHBondContact O-N 3.09Å; A147-L149 VanDerWaalsContact C-N 3.31Å; A147-V150 PolarHBondContact O-N 3.46Å; A147-L151 WeakPolarHBondContact O-CG 3.45Å; A147-L151 PolarHBondContact O-N 3.14Å; A147-L151 VanDerWaalsContact O-N 3.09Å
148	K	64.1	Low	63.5	Low	138 Å²	138	69.2 Å²	69.2	60%	0.6	33%	0.33	S	S	*	.	H	α-helix	trans	-64.8	-38.5	174.8	-173	176.8	179.9	178.8	0	111.6	K144 A145 D146 L151 Q152	K144-K148 PolarHBondContact O-N 3.49Å; A145-K148 PolarHBondContact O-N 2.93Å; D146-K148 VanDerWaalsContact C-N 3.32Å; D146-K148 PolarHBondContact O-N 3.09Å; K148-L151 PolarHBondContact O-N 2.84Å; K148-Q152 WeakPolarHBondContact O-CG 3.49Å; K148-Q152 PolarHBondContact O-N 3.33Å; K148-Q152 VanDerWaalsContact O-N 3.09Å
149	L	61.1	Low	64.5	Low	52 Å²	52	70.4 Å²	70.4	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-42	176.7	-171	69.9	0	0	0	111.1	A145 D146 A147 L151 Q152 F153	A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 PolarHBondContact O-N 3.24Å; D146-L149 WeakPolarHBondContact O-CB 3.45Å; D146-L149 PolarHBondContact O-N 3.46Å; D146-L149 VanDerWaalsContact O-N 3.1Å; A147-L149 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 3.41Å; L149-Q152 WeakPolarHBondContact O-CB 3.35Å; L149-Q152 PolarHBondContact O-N 2.85Å; L149-F153 HydrophobicContact CD1-CE1 4.42Å; L149-F153 HydrophobicContact CD1-CE2 4.06Å; L149-F153 HydrophobicContact CD1-CZ 3.7Å; L149-F153 HydrophobicContact CD2-CE2 3.71Å; L149-F153 HydrophobicContact CD2-CZ 3.93Å; L149-F153 HydrophobicContact CG-CD2 4.18Å; L149-F153 HydrophobicContact CG-CE2 3.4Å; L149-F153 VanDerWaalsContact CG-CE2 3.4Å; L149-F153 HydrophobicContact CG-CZ 3.59Å; L149-F153 VanDerWaalsContact O-CD2 3.3Å; L149-F153 WeakPolarHBondContact O-CD2 3.4Å; L149-F153 WeakPolarHBondContact O-CG 3.48Å; L149-F153 PolarHBondContact O-N 3.33Å
150	V	63.3	Low	65.1	Low	9 Å²	9	69 Å²	69	6%	0.055	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-43.4	174.5	174	0	0	0	0	111.9	L83 D84 D146 A147 Q152 F153 K154	L83-V150 HydrophobicContact CD2-CG2 3.55Å; L83-V150 HydrophobicContact CG-CG2 3.91Å; D84-V150 HydrophobicContact CB-CG1 4.35Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.4Å; A147-V150 PolarHBondContact O-N 3.46Å; V150-Q152 VanDerWaalsContact C-N 3.34Å; V150-Q152 PolarHBondContact O-N 3.34Å; V150-F153 PolarHBondContact O-N 2.91Å; V150-K154 PolarHBondContact O-N 3.06Å
151	L	66.7	Low	65.7	Low	106 Å²	106	70.3 Å²	70.3	56%	0.555	33%	0.334	S	S	*	.	H	α-helix	trans	-61.4	-42.9	176.1	-72.9	172	0	0	0	112	A147 K148 L149 F153 K154 E155	A147-L151 WeakPolarHBondContact O-CG 3.45Å; A147-L151 PolarHBondContact O-N 3.14Å; A147-L151 VanDerWaalsContact O-N 3.09Å; K148-L151 PolarHBondContact O-N 2.84Å; L149-L151 PolarHBondContact O-N 3.41Å; L151-F153 VanDerWaalsContact C-N 3.33Å; L151-F153 PolarHBondContact O-N 2.86Å; L151-K154 PolarHBondContact O-N 3.35Å; L151-E155 PolarHBondContact O-N 2.93Å
152	Q	69.2	Low	66.5	Low	101 Å²	101	68.8 Å²	68.8	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-41.1	174.9	-72.9	-179.6	-22.6	0	0	111.6	K148 L149 V150 E155 E156	K148-Q152 WeakPolarHBondContact O-CG 3.49Å; K148-Q152 PolarHBondContact O-N 3.33Å; K148-Q152 VanDerWaalsContact O-N 3.09Å; L149-Q152 WeakPolarHBondContact O-CB 3.35Å; L149-Q152 PolarHBondContact O-N 2.85Å; V150-Q152 VanDerWaalsContact C-N 3.34Å; V150-Q152 PolarHBondContact O-N 3.34Å; Q152-E155 PolarHBondContact O-N 3.33Å; Q152-E156 PolarHBondContact O-N 3.36Å
153	F	66.7	Low	67.4	Low	5 Å²	5	67.2 Å²	67.2	2%	0.022	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-41.8	174.5	-67.9	-40.7	0	0	0	112.7	I80 L149 V150 L151 E155 E156 V157 C193 K196 L197	I80-F153 HydrophobicContact CD1-CB 4.05Å; L149-F153 HydrophobicContact CD1-CE1 4.42Å; L149-F153 HydrophobicContact CD1-CE2 4.06Å; L149-F153 HydrophobicContact CD1-CZ 3.7Å; L149-F153 HydrophobicContact CD2-CE2 3.71Å; L149-F153 HydrophobicContact CD2-CZ 3.93Å; L149-F153 HydrophobicContact CG-CD2 4.18Å; L149-F153 HydrophobicContact CG-CE2 3.4Å; L149-F153 VanDerWaalsContact CG-CE2 3.4Å; L149-F153 HydrophobicContact CG-CZ 3.59Å; L149-F153 VanDerWaalsContact O-CD2 3.3Å; L149-F153 WeakPolarHBondContact O-CD2 3.4Å; L149-F153 WeakPolarHBondContact O-CG 3.48Å; L149-F153 PolarHBondContact O-N 3.33Å; V150-F153 PolarHBondContact O-N 2.91Å; L151-F153 VanDerWaalsContact C-N 3.33Å; L151-F153 PolarHBondContact O-N 2.86Å; F153-E155 PolarHBondContact O-N 3.29Å; F153-E156 PolarHBondContact O-N 3.47Å; F153-E156 VanDerWaalsContact O-N 3.17Å; F153-V157 WeakPolarHBondContact O-CB 3.47Å; F153-V157 VanDerWaalsContact O-CG2 3.26Å; F153-V157 WeakPolarHBondContact O-CG2 3.44Å; F153-V157 PolarHBondContact O-N 3.4Å; F153-C193 HydrophobicContact CD1-CB 4.49Å; F153-C193 WeakPolarHBondContact CD1-SG 3.49Å; F153-K196 HydrophobicContact CE1-CB 3.9Å; F153-K196 HydrophobicContact CE1-CD 3.69Å; F153-K196 HydrophobicContact CE1-CG 4.49Å; F153-K196 HydrophobicContact CE2-CB 4.23Å; F153-K196 HydrophobicContact CZ-CB 3.29Å; F153-K196 HydrophobicContact CZ-CD 3.78Å; F153-K196 HydrophobicContact CZ-CG 4.22Å; F153-L197 HydrophobicContact CD2-CD2 3.99Å; F153-L197 HydrophobicContact CD2-CG 3.86Å; F153-L197 HydrophobicContact CE2-CD2 4.33Å; F153-L197 HydrophobicContact CE2-CG 3.94Å; F153-L197 HydrophobicContact CG-CG 4.44Å
154	K	67.6	Low	67.8	Low	100 Å²	100	65.6 Å²	65.6	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-58.1	-38.9	177.9	-168.9	174.1	-176.7	171.2	0	111.8	I80 D84 V150 L151 R158	I80-K154 HydrophobicContact CG2-CB 4.27Å; D84-K154 IonicContact OD2-NZ 3.36Å; D84-K154 PolarHBondContact OD2-NZ 2.85Å; V150-K154 PolarHBondContact O-N 3.06Å; L151-K154 PolarHBondContact O-N 3.35Å; K154-R158 WeakPolarHBondContact O-CB 3.26Å; K154-R158 PolarHBondContact O-N 2.97Å
155	E	75.1	Confident	68.3	Low	126 Å²	126	62.4 Å²	62.4	59%	0.589	32%	0.316	S	S	*	.	H	α-helix	trans	-69.8	-45.6	175.1	-168.3	172.5	-172.1	0	0	112.1	L151 Q152 F153 V157 R158 N159	L151-E155 PolarHBondContact O-N 2.93Å; Q152-E155 PolarHBondContact O-N 3.33Å; F153-E155 PolarHBondContact O-N 3.29Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.18Å; E155-R158 PolarHBondContact O-N 3.5Å; E155-N159 WeakPolarHBondContact O-CB 3.46Å; E155-N159 PolarHBondContact O-N 3.18Å
156	E	70.1	Confident	68.9	Low	67 Å²	67	65.8 Å²	65.8	31%	0.313	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-42.7	175.7	-81	-172.2	169.5	0	0	112.2	Q152 F153 N159 L160	Q152-E156 PolarHBondContact O-N 3.36Å; F153-E156 PolarHBondContact O-N 3.47Å; F153-E156 VanDerWaalsContact O-N 3.17Å; E156-N159 PolarHBondContact O-N 3.21Å; E156-L160 WeakPolarHBondContact O-CB 3.37Å; E156-L160 VanDerWaalsContact O-CG 3.28Å; E156-L160 WeakPolarHBondContact O-CG 3.44Å; E156-L160 PolarHBondContact O-N 3Å
157	V	69.4	Low	69.2	Low	6 Å²	6	62.9 Å²	62.9	4%	0.036	31%	0.311	C	S	.	.	H	α-helix	trans	-69.3	-39	178.6	175.4	0	0	0	0	111.9	V73 M76 T77 I80 F153 E155 N159 L160 T161	V73-V157 HydrophobicContact CG1-CG1 4.33Å; M76-V157 HydrophobicContact CE-CB 4.28Å; M76-V157 HydrophobicContact CE-CG1 4.13Å; M76-V157 HydrophobicContact CE-CG2 3.25Å; M76-V157 HydrophobicContact CG-CG2 4.48Å; M76-V157 HydrophobicContact SD-CG2 4.05Å; T77-V157 VanDerWaalsContact OG1-CG1 3.3Å; T77-V157 WeakPolarHBondContact OG1-CG1 3.36Å; I80-V157 HydrophobicContact CD1-CB 4.12Å; I80-V157 HydrophobicContact CD1-CG2 3.34Å; F153-V157 WeakPolarHBondContact O-CB 3.47Å; F153-V157 VanDerWaalsContact O-CG2 3.26Å; F153-V157 WeakPolarHBondContact O-CG2 3.44Å; F153-V157 PolarHBondContact O-N 3.4Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.18Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.02Å; V157-L160 PolarHBondContact O-N 3.41Å; V157-T161 WeakPolarHBondContact O-CB 3.49Å; V157-T161 PolarHBondContact O-N 3.4Å; V157-T161 PolarHBondContact O-OG1 3.48Å
158	R	73.3	Confident	69.3	Low	197 Å²	197	67.5 Å²	67.5	74%	0.743	33%	0.331	S	S	*	.	H	α-helix	trans	-61.3	-42.8	173	-174.6	177.7	179.7	154.7	1.2	111.2	K154 E155 T161 S162	K154-R158 WeakPolarHBondContact O-CB 3.26Å; K154-R158 PolarHBondContact O-N 2.97Å; E155-R158 PolarHBondContact O-N 3.5Å; R158-T161 PolarHBondContact O-N 2.97Å; R158-S162 PolarHBondContact O-N 3.46Å
159	N	76.9	Confident	69.3	Low	79 Å²	79	69.1 Å²	69.1	42%	0.422	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-45	176	-72.7	-17.5	0	0	0	111.6	E155 E156 V157 T161 S162 V163	E155-N159 WeakPolarHBondContact O-CB 3.46Å; E155-N159 PolarHBondContact O-N 3.18Å; E156-N159 PolarHBondContact O-N 3.21Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.02Å; N159-T161 VanDerWaalsContact C-N 3.29Å; N159-T161 PolarHBondContact O-N 2.96Å; N159-S162 PolarHBondContact O-N 3.06Å; N159-V163 WeakPolarHBondContact O-CG2 3.38Å; N159-V163 PolarHBondContact O-N 3.3Å
160	L	71.3	Confident	69.2	Low	2 Å²	2	70.8 Å²	70.8	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-42.1	174.1	-74.4	167	0	0	0	111.6	M76 E156 V157 V163 L164 L186 R189	M76-L160 HydrophobicContact CE-CD1 4.48Å; E156-L160 WeakPolarHBondContact O-CB 3.37Å; E156-L160 VanDerWaalsContact O-CG 3.28Å; E156-L160 WeakPolarHBondContact O-CG 3.44Å; E156-L160 PolarHBondContact O-N 3Å; V157-L160 PolarHBondContact O-N 3.41Å; L160-V163 PolarHBondContact O-N 2.97Å; L160-L164 WeakPolarHBondContact O-CB 3.28Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.25Å; L160-L186 HydrophobicContact CD2-CB 4.44Å; L160-L186 HydrophobicContact CD2-CD2 3.26Å; L160-L186 HydrophobicContact CD2-CG 4.44Å; L160-R189 HydrophobicContact CD2-CB 4.07Å
161	T	71.4	Confident	68.8	Low	55 Å²	55	74.6 Å²	74.6	34%	0.337	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-42.8	178.7	-52.4	0	0	0	0	111.5	V157 R158 N159 L164 S165	V157-T161 WeakPolarHBondContact O-CB 3.49Å; V157-T161 PolarHBondContact O-N 3.4Å; V157-T161 PolarHBondContact O-OG1 3.48Å; R158-T161 PolarHBondContact O-N 2.97Å; N159-T161 VanDerWaalsContact C-N 3.29Å; N159-T161 PolarHBondContact O-N 2.96Å; T161-L164 PolarHBondContact O-N 2.95Å; T161-S165 PolarHBondContact O-N 3.15Å; T161-S165 PolarHBondContact O-OG 3.49Å; T161-S165 VanDerWaalsContact O-OG 3.14Å
162	S	76.5	Confident	68.1	Low	59 Å²	59	73.5 Å²	73.5	41%	0.413	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-48.9	175.6	-162.7	0	0	0	0	111.6	R158 N159 L164 S165 E166	R158-S162 PolarHBondContact O-N 3.46Å; N159-S162 PolarHBondContact O-N 3.06Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 3.17Å; S162-S165 PolarHBondContact O-N 3.33Å; S162-E166 WeakPolarHBondContact O-CG 3.41Å; S162-E166 PolarHBondContact O-N 2.95Å; S162-E166 PolarHBondContact OG-OE1 3.2Å
163	V	76	Confident	67.2	Low	45 Å²	45	73 Å²	73	27%	0.273	39%	0.392	S	S	.	.	H	α-helix	trans	-63.1	-39.6	-180	175.8	0	0	0	0	111.3	N159 L160 E166 L167 L186	N159-V163 WeakPolarHBondContact O-CG2 3.38Å; N159-V163 PolarHBondContact O-N 3.3Å; L160-V163 PolarHBondContact O-N 2.97Å; V163-E166 PolarHBondContact O-N 3.49Å; V163-L167 HydrophobicContact CG1-CD1 4.13Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 WeakPolarHBondContact O-CB 3.49Å; V163-L167 VanDerWaalsContact O-CG 3.24Å; V163-L167 WeakPolarHBondContact O-CG 3.39Å; V163-L167 PolarHBondContact O-N 3.46Å; V163-L186 HydrophobicContact CB-CD2 4.33Å; V163-L186 HydrophobicContact CG1-CD1 4.18Å; V163-L186 HydrophobicContact CG1-CD2 4.01Å
164	L	67.3	Low	66.5	Low	2 Å²	2	76.6 Å²	76.6	1%	0.01	41%	0.406	C	S	.	.	H	α-helix	trans	-64.5	-39.6	175.6	-79.2	167.6	0	0	0	112.4	L66 L69 L70 V73 L160 T161 S162 L167 Q168 L186	L66-L164 HydrophobicContact CD1-CD2 3.48Å; L66-L164 VanDerWaalsContact CD1-CD2 3.48Å; L69-L164 HydrophobicContact CB-CD2 4.39Å; L70-L164 HydrophobicContact CD2-CB 4.05Å; L70-L164 HydrophobicContact CD2-CD1 4.26Å; V73-L164 HydrophobicContact CB-CD1 4.19Å; V73-L164 HydrophobicContact CG1-CD1 4.41Å; V73-L164 HydrophobicContact CG2-CD1 3.69Å; L160-L164 WeakPolarHBondContact O-CB 3.28Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.25Å; T161-L164 PolarHBondContact O-N 2.95Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-L164 PolarHBondContact O-N 3.17Å; L164-L167 PolarHBondContact O-N 3.05Å; L164-Q168 WeakPolarHBondContact O-CB 3.44Å; L164-Q168 PolarHBondContact O-N 3.32Å; L164-L186 HydrophobicContact CD2-CD1 3.73Å; L164-L186 HydrophobicContact CG-CD1 4.04Å
165	S	70.3	Confident	66.1	Low	56 Å²	56	77.2 Å²	77.2	39%	0.392	42%	0.415	S	S	.	.	H	α-helix	trans	-65.9	-44.3	175.9	-64.1	0	0	0	0	112.1	T161 S162 L167 Q168 E169	T161-S165 PolarHBondContact O-N 3.15Å; T161-S165 PolarHBondContact O-OG 3.49Å; T161-S165 VanDerWaalsContact O-OG 3.14Å; S162-S165 PolarHBondContact O-N 3.33Å; S165-L167 PolarHBondContact O-N 3.29Å; S165-Q168 WeakPolarHBondContact O-CB 3.24Å; S165-Q168 PolarHBondContact O-N 2.91Å; S165-Q168 VanDerWaalsContact O-N 3.15Å; S165-E169 PolarHBondContact O-N 2.84Å
166	E	71.7	Confident	65.1	Low	99 Å²	99	79.1 Å²	79.1	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-59.6	-46	174.9	-73.1	164.1	-153.5	0	0	111.1	S162 V163 Q168 E169 E170	S162-E166 WeakPolarHBondContact O-CG 3.41Å; S162-E166 PolarHBondContact O-N 2.95Å; S162-E166 PolarHBondContact OG-OE1 3.2Å; V163-E166 PolarHBondContact O-N 3.49Å; E166-Q168 VanDerWaalsContact C-N 3.27Å; E166-Q168 PolarHBondContact O-N 2.97Å; E166-E169 PolarHBondContact O-N 3.32Å; E166-E170 WeakPolarHBondContact O-CB 3.47Å; E166-E170 PolarHBondContact O-N 3.34Å
167	L	64.8	Low	64.4	Low	4 Å²	4	82.4 Å²	82.4	2%	0.021	43%	0.433	C	S	.	.	H	α-helix	trans	-60.2	-36.5	175	-75	173.8	0	0	0	112.6	V163 L164 S165 M171 L179 R182 L186	V163-L167 HydrophobicContact CG1-CD1 4.13Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 WeakPolarHBondContact O-CB 3.49Å; V163-L167 VanDerWaalsContact O-CG 3.24Å; V163-L167 WeakPolarHBondContact O-CG 3.39Å; V163-L167 PolarHBondContact O-N 3.46Å; L164-L167 PolarHBondContact O-N 3.05Å; S165-L167 PolarHBondContact O-N 3.29Å; L167-M171 WeakPolarHBondContact O-CG 3.34Å; L167-M171 PolarHBondContact O-N 2.74Å; L167-L179 HydrophobicContact CD2-CD1 3.75Å; L167-R182 HydrophobicContact CD1-CB 4.43Å; L167-R182 HydrophobicContact CD2-CB 4.49Å; L167-L186 HydrophobicContact CD1-CD1 3.66Å
168	Q	62.8	Low	64	Low	109 Å²	109	86.1 Å²	86.1	51%	0.509	45%	0.45	S	S	.	.	H	α-helix	trans	-70.3	-31.8	178.7	-169.8	174.7	-22.5	0	0	112.2	L66 L164 S165 E166	L66-Q168 HydrophobicContact CD2-CB 4.48Å; L164-Q168 WeakPolarHBondContact O-CB 3.44Å; L164-Q168 PolarHBondContact O-N 3.32Å; S165-Q168 WeakPolarHBondContact O-CB 3.24Å; S165-Q168 PolarHBondContact O-N 2.91Å; S165-Q168 VanDerWaalsContact O-N 3.15Å; E166-Q168 VanDerWaalsContact C-N 3.27Å; E166-Q168 PolarHBondContact O-N 2.97Å
169	E	63.9	Low	63.5	Low	172 Å²	172	78.2 Å²	78.2	80%	0.804	42%	0.422	S	S	*	.	H	α-helix	trans	-79.4	-33.2	175.7	-70.9	-177	177.8	0	0	112.6	S165 E166	S165-E169 PolarHBondContact O-N 2.84Å; E166-E169 PolarHBondContact O-N 3.32Å
170	E	59.6	Low	62.8	Low	88 Å²	88	78.7 Å²	78.7	41%	0.411	42%	0.422	S	S	.	.	S	Bend	trans	-91.8	3.4	-176.1	-68.1	-175.4	147.3	0	0	115	E166 G172 A173 Y174	E166-E170 WeakPolarHBondContact O-CB 3.47Å; E166-E170 PolarHBondContact O-N 3.34Å; E170-G172 PolarHBondContact O-N 3.36Å; E170-A173 PolarHBondContact O-N 2.9Å; E170-Y174 HydrophobicContact CB-CD2 4.18Å; E170-Y174 HydrophobicContact CB-CE2 3.86Å; E170-Y174 WeakPolarHBondContact OE2-CE2 3.4Å
171	M	54.3	Low	62.5	Low	88 Å²	88	83.5 Å²	83.5	43%	0.433	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-8.5	-177.4	-64.2	-159.2	-9.2	0	0	115.2	L66 L167	L66-M171 HydrophobicContact CD2-SD 3.79Å; L167-M171 WeakPolarHBondContact O-CG 3.34Å; L167-M171 PolarHBondContact O-N 2.74Å
172	G	52.6	Low	62.3	Low	84 Å²	84	84.9 Å²	84.9	87%	0.866	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12	173.5	0	0	0	0	0	115.7	E170	E170-G172 PolarHBondContact O-N 3.36Å
173	A	50	Low	61.8	Low	89 Å²	89	82.7 Å²	82.7	74%	0.736	43%	0.431	S	S	*	.	S	Bend	trans	-129.3	-5.2	-162.2	0	0	0	0	0	117.7	E170	E170-A173 PolarHBondContact O-N 2.9Å
174	Y	51.6	Low	61.4	Low	81 Å²	81	83.3 Å²	83.3	32%	0.318	44%	0.437	S	S	.	.			trans	-101	145.2	-172.6	-82	-72.5	0	0	0	115.7	E170 E178 R182	E170-Y174 HydrophobicContact CB-CD2 4.18Å; E170-Y174 HydrophobicContact CB-CE2 3.86Å; E170-Y174 WeakPolarHBondContact OE2-CE2 3.4Å; Y174-E178 HydrophobicContact CD1-CB 4.34Å; Y174-E178 HydrophobicContact CD1-CG 4.19Å; Y174-E178 VanDerWaalsContact CD1-OE2 3.27Å; Y174-E178 WeakPolarHBondContact CD1-OE2 2.97Å; Y174-E178 HydrophobicContact CE1-CG 4.4Å; Y174-E178 VanDerWaalsContact CE1-OE1 3.3Å; Y174-E178 WeakPolarHBondContact CE1-OE1 3.48Å; Y174-E178 VanDerWaalsContact CE1-OE2 3.31Å; Y174-E178 WeakPolarHBondContact CE1-OE2 3.44Å; Y174-R182 PolarHBondContact OH-NH1 2.93Å; Y174-R182 PolarHBondContact OH-NH2 3.5Å
175	D	58.3	Low	61.7	Low	114 Å²	114	86.9 Å²	86.9	61%	0.61	46%	0.456	S	S	*	.			trans	-66.9	139.4	167.1	-164.1	-6.7	0	0	0	110.4	E177 E178 L179	D175-E177 PolarHBondContact O-N 2.96Å; D175-E177 VanDerWaalsContact O-N 3.13Å; D175-E178 PolarHBondContact O-N 2.91Å; D175-E178 VanDerWaalsContact O-N 3.07Å; D175-L179 PolarHBondContact O-N 2.03Å
176	Y	55.3	Low	61.6	Low	165 Å²	165	84.5 Å²	84.5	65%	0.647	44%	0.439	S	S	*	.	H	α-helix	trans	-54.7	-35.7	-172.6	172.4	-99	0	0	0	112.3	H180	Y176-H180 VanDerWaalsContact O-CB 3.28Å; Y176-H180 WeakPolarHBondContact O-CB 3.2Å; Y176-H180 PolarHBondContact O-N 2.94Å
177	E	55.2	Low	61.4	Low	136 Å²	136	81.3 Å²	81.3	64%	0.636	42%	0.424	S	S	*	.	H	α-helix	trans	-71.6	-36.9	-178.4	-156.1	169.6	-164.2	0	0	112.3	D175 N181	D175-E177 PolarHBondContact O-N 2.96Å; D175-E177 VanDerWaalsContact O-N 3.13Å; E177-N181 WeakPolarHBondContact O-CB 3.48Å; E177-N181 VanDerWaalsContact O-CG 3.23Å; E177-N181 PolarHBondContact O-N 3.33Å; E177-N181 VanDerWaalsContact O-N 3.14Å; E177-N181 PolarHBondContact O-ND2 3.38Å
178	E	61.3	Low	61.6	Low	85 Å²	85	84.5 Å²	84.5	40%	0.397	44%	0.439	S	S	.	.	H	α-helix	trans	-70.9	-43.3	177.6	-169.5	178.5	168.7	0	0	111.5	Y174 D175 N181 R182	Y174-E178 HydrophobicContact CD1-CB 4.34Å; Y174-E178 HydrophobicContact CD1-CG 4.19Å; Y174-E178 VanDerWaalsContact CD1-OE2 3.27Å; Y174-E178 WeakPolarHBondContact CD1-OE2 2.97Å; Y174-E178 HydrophobicContact CE1-CG 4.4Å; Y174-E178 VanDerWaalsContact CE1-OE1 3.3Å; Y174-E178 WeakPolarHBondContact CE1-OE1 3.48Å; Y174-E178 VanDerWaalsContact CE1-OE2 3.31Å; Y174-E178 WeakPolarHBondContact CE1-OE2 3.44Å; D175-E178 PolarHBondContact O-N 2.91Å; D175-E178 VanDerWaalsContact O-N 3.07Å; E178-N181 PolarHBondContact O-N 3.22Å; E178-R182 WeakPolarHBondContact O-CG 2.93Å; E178-R182 PolarHBondContact O-N 3.33Å; E178-R182 IonicContact OE1-CZ 3.94Å; E178-R182 IonicContact OE1-NE 3.88Å; E178-R182 IonicContact OE1-NH2 2.74Å; E178-R182 PolarHBondContact OE1-NH2 3.36Å
179	L	61.3	Low	62	Low	31 Å²	31	83.1 Å²	83.1	16%	0.162	43%	0.429	C	S	.	.	H	α-helix	trans	-64.8	-43.1	178.1	-176.1	63.5	0	0	0	111.6	L167 D175 N181 R182 V183	L167-L179 HydrophobicContact CD2-CD1 3.75Å; D175-L179 PolarHBondContact O-N 2.03Å; L179-N181 VanDerWaalsContact C-N 3.35Å; L179-N181 PolarHBondContact O-N 3.23Å; L179-R182 PolarHBondContact O-N 2.63Å; L179-V183 HydrophobicContact CD1-CG2 4.41Å; L179-V183 HydrophobicContact CG-CG2 4.47Å; L179-V183 WeakPolarHBondContact O-CB 3.29Å; L179-V183 VanDerWaalsContact O-CG2 3.32Å; L179-V183 WeakPolarHBondContact O-CG2 3.3Å; L179-V183 PolarHBondContact O-N 2.88Å
180	H	62.7	Low	62.3	Low	88 Å²	88	75.5 Å²	75.5	41%	0.407	39%	0.393	S	S	.	.	H	α-helix	trans	-60.6	-43.9	177.2	-175.9	76.5	0	0	0	111.9	Y176 R182 V183 S184	Y176-H180 VanDerWaalsContact O-CB 3.28Å; Y176-H180 WeakPolarHBondContact O-CB 3.2Å; Y176-H180 PolarHBondContact O-N 2.94Å; H180-R182 PolarHBondContact O-N 2.69Å; H180-V183 PolarHBondContact O-N 3.42Å; H180-S184 VanDerWaalsContact O-CB 3.32Å; H180-S184 WeakPolarHBondContact O-CB 2.85Å; H180-S184 PolarHBondContact O-N 3.43Å
181	N	65.7	Low	62.7	Low	103 Å²	103	75.4 Å²	75.4	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-62.4	-41.1	176.7	-75.6	-34.4	0	0	0	112.3	E177 E178 L179 N185	E177-N181 WeakPolarHBondContact O-CB 3.48Å; E177-N181 VanDerWaalsContact O-CG 3.23Å; E177-N181 PolarHBondContact O-N 3.33Å; E177-N181 VanDerWaalsContact O-N 3.14Å; E177-N181 PolarHBondContact O-ND2 3.38Å; E178-N181 PolarHBondContact O-N 3.22Å; L179-N181 VanDerWaalsContact C-N 3.35Å; L179-N181 PolarHBondContact O-N 3.23Å; N181-N185 WeakPolarHBondContact O-CB 3.26Å; N181-N185 PolarHBondContact O-N 3.32Å
182	R	67.1	Low	63.3	Low	85 Å²	85	72.8 Å²	72.8	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-66	-44.1	176.2	-71.6	-175.8	-175.7	-169.7	7.4	112.3	L167 Y174 E178 L179 H180 N185 L186	L167-R182 HydrophobicContact CD1-CB 4.43Å; L167-R182 HydrophobicContact CD2-CB 4.49Å; Y174-R182 PolarHBondContact OH-NH1 2.93Å; Y174-R182 PolarHBondContact OH-NH2 3.5Å; E178-R182 WeakPolarHBondContact O-CG 2.93Å; E178-R182 PolarHBondContact O-N 3.33Å; E178-R182 IonicContact OE1-CZ 3.94Å; E178-R182 IonicContact OE1-NE 3.88Å; E178-R182 IonicContact OE1-NH2 2.74Å; E178-R182 PolarHBondContact OE1-NH2 3.36Å; L179-R182 PolarHBondContact O-N 2.63Å; H180-R182 PolarHBondContact O-N 2.69Å; R182-N185 PolarHBondContact O-N 2.91Å; R182-L186 WeakPolarHBondContact O-CG 3.26Å; R182-L186 PolarHBondContact O-N 2.95Å
183	V	66.8	Low	64	Low	13 Å²	13	68.8 Å²	68.8	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-46.2	176.7	167.1	0	0	0	0	111.1	Q65 L69 L179 H180 N185 L186 E187	Q65-V183 HydrophobicContact CG-CG1 4.43Å; L69-V183 HydrophobicContact CD1-CG1 3.59Å; L179-V183 HydrophobicContact CD1-CG2 4.41Å; L179-V183 HydrophobicContact CG-CG2 4.47Å; L179-V183 WeakPolarHBondContact O-CB 3.29Å; L179-V183 VanDerWaalsContact O-CG2 3.32Å; L179-V183 WeakPolarHBondContact O-CG2 3.3Å; L179-V183 PolarHBondContact O-N 2.88Å; H180-V183 PolarHBondContact O-N 3.42Å; V183-N185 VanDerWaalsContact C-N 3.34Å; V183-N185 PolarHBondContact O-N 2.97Å; V183-L186 WeakPolarHBondContact O-CB 3.22Å; V183-L186 PolarHBondContact O-N 3.42Å; V183-E187 PolarHBondContact O-N 2.97Å
184	S	67.2	Low	64.7	Low	57 Å²	57	69 Å²	69	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-42.7	176.6	-176.4	0	0	0	0	112	H180 L186 E187 E188	H180-S184 VanDerWaalsContact O-CB 3.32Å; H180-S184 WeakPolarHBondContact O-CB 2.85Å; H180-S184 PolarHBondContact O-N 3.43Å; S184-L186 VanDerWaalsContact C-N 3.34Å; S184-L186 PolarHBondContact O-N 3.26Å; S184-E187 PolarHBondContact O-N 3.36Å; S184-E188 PolarHBondContact O-N 3.42Å
185	N	72.3	Confident	65.4	Low	78 Å²	78	66.4 Å²	66.4	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-39.6	175.2	-175.8	-100.2	0	0	0	112.9	N181 R182 V183 E188 R189	N181-N185 WeakPolarHBondContact O-CB 3.26Å; N181-N185 PolarHBondContact O-N 3.32Å; R182-N185 PolarHBondContact O-N 2.91Å; V183-N185 VanDerWaalsContact C-N 3.34Å; V183-N185 PolarHBondContact O-N 2.97Å; N185-E188 PolarHBondContact O-N 3Å; N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.42Å; N185-R189 VanDerWaalsContact O-N 3.08Å; N185-R189 WeakPolarHBondContact OD1-CD 3.43Å
186	L	69.7	Low	65.7	Low	5 Å²	5	63.9 Å²	63.9	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-41.4	176.6	-69	170.3	0	0	0	111.7	L160 V163 L164 L167 R182 V183 S184 R189 L190	L160-L186 HydrophobicContact CD2-CB 4.44Å; L160-L186 HydrophobicContact CD2-CD2 3.26Å; L160-L186 HydrophobicContact CD2-CG 4.44Å; V163-L186 HydrophobicContact CB-CD2 4.33Å; V163-L186 HydrophobicContact CG1-CD1 4.18Å; V163-L186 HydrophobicContact CG1-CD2 4.01Å; L164-L186 HydrophobicContact CD2-CD1 3.73Å; L164-L186 HydrophobicContact CG-CD1 4.04Å; L167-L186 HydrophobicContact CD1-CD1 3.66Å; R182-L186 WeakPolarHBondContact O-CG 3.26Å; R182-L186 PolarHBondContact O-N 2.95Å; V183-L186 WeakPolarHBondContact O-CB 3.22Å; V183-L186 PolarHBondContact O-N 3.42Å; S184-L186 VanDerWaalsContact C-N 3.34Å; S184-L186 PolarHBondContact O-N 3.26Å; L186-R189 PolarHBondContact O-N 3.3Å; L186-L190 VanDerWaalsContact O-CB 3.23Å; L186-L190 WeakPolarHBondContact O-CB 2.97Å; L186-L190 PolarHBondContact O-N 2.91Å
187	E	66.8	Low	65.9	Low	32 Å²	32	57.7 Å²	57.7	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-42.9	175.1	-75.7	-178.2	168.6	0	0	112.2	Q65 L69 V183 S184 L190 R191	Q65-E187 PolarHBondContact NE2-OE1 3.28Å; L69-E187 HydrophobicContact CD1-CG 3.91Å; L69-E187 HydrophobicContact CD2-CB 4.46Å; L69-E187 HydrophobicContact CD2-CG 3.43Å; L69-E187 VanDerWaalsContact CD2-CG 3.43Å; L69-E187 HydrophobicContact CG-CG 4.02Å; V183-E187 PolarHBondContact O-N 2.97Å; S184-E187 PolarHBondContact O-N 3.36Å; E187-L190 PolarHBondContact O-N 3.47Å; E187-R191 WeakPolarHBondContact O-CB 3.5Å; E187-R191 PolarHBondContact O-N 3.18Å
188	E	69.1	Low	66.4	Low	71 Å²	71	52.3 Å²	52.3	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-47	177.1	-169.8	-174.9	176.9	0	0	111.6	S184 N185 L190 R191 A192	S184-E188 PolarHBondContact O-N 3.42Å; N185-E188 PolarHBondContact O-N 3Å; E188-L190 PolarHBondContact O-N 3.42Å; E188-R191 PolarHBondContact O-N 3.44Å; E188-A192 PolarHBondContact O-N 3.4Å
189	R	72.3	Confident	66.9	Low	80 Å²	80	49.6 Å²	49.6	30%	0.302	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-42.8	176.9	-72.1	175.6	64.3	-168.1	-3.1	112.1	L160 N185 L186 A192 C193	L160-R189 HydrophobicContact CD2-CB 4.07Å; N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.42Å; N185-R189 VanDerWaalsContact O-N 3.08Å; N185-R189 WeakPolarHBondContact OD1-CD 3.43Å; L186-R189 PolarHBondContact O-N 3.3Å; R189-A192 PolarHBondContact O-N 2.64Å; R189-C193 WeakPolarHBondContact O-CB 3.21Å; R189-C193 PolarHBondContact O-N 2.69Å
190	L	68.4	Low	67.6	Low	12 Å²	12	48.7 Å²	48.7	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-44.2	177.2	178.3	60.2	0	0	0	111.5	L69 K72 V73 M76 L186 E187 E188 C193 M194	L69-L190 HydrophobicContact CD2-CD2 3.91Å; K72-L190 HydrophobicContact CB-CD2 3.75Å; K72-L190 HydrophobicContact CD-CD2 4.14Å; V73-L190 HydrophobicContact CG2-CD1 4.24Å; V73-L190 HydrophobicContact CG2-CD2 4.21Å; M76-L190 HydrophobicContact CE-CD1 3.08Å; M76-L190 HydrophobicContact SD-CD1 3.48Å; M76-L190 WeakPolarHBondContact SD-CD1 3.37Å; L186-L190 VanDerWaalsContact O-CB 3.23Å; L186-L190 WeakPolarHBondContact O-CB 2.97Å; L186-L190 PolarHBondContact O-N 2.91Å; E187-L190 PolarHBondContact O-N 3.47Å; E188-L190 PolarHBondContact O-N 3.42Å; L190-C193 WeakPolarHBondContact O-CB 3.47Å; L190-C193 PolarHBondContact O-N 2.97Å; L190-M194 WeakPolarHBondContact O-CG 3.23Å; L190-M194 PolarHBondContact O-N 3.11Å
191	R	68.1	Low	68.5	Low	87 Å²	87	47.9 Å²	47.9	33%	0.328	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-46.3	176.4	-171.9	-175.7	-66.4	110.8	-0.6	111.3	E187 E188 C193 M194 Q195	E187-R191 WeakPolarHBondContact O-CB 3.5Å; E187-R191 PolarHBondContact O-N 3.18Å; E188-R191 PolarHBondContact O-N 3.44Å; R191-C193 VanDerWaalsContact C-N 3.31Å; R191-C193 PolarHBondContact O-N 2.98Å; R191-M194 PolarHBondContact O-N 3.02Å; R191-Q195 WeakPolarHBondContact O-CG 3.45Å; R191-Q195 PolarHBondContact O-N 3.04Å
192	A	68.1	Low	69.6	Low	32 Å²	32	43.1 Å²	43.1	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-39.5	176.8	0	0	0	0	0	112.2	E188 R189 K196	E188-A192 PolarHBondContact O-N 3.4Å; R189-A192 PolarHBondContact O-N 2.64Å; A192-K196 WeakPolarHBondContact O-CG 3.38Å; A192-K196 PolarHBondContact O-N 3.18Å
193	C	65.7	Low	70.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-48.6	174.6	-175.3	0	0	0	0	111.4	M76 F153 R189 L190 R191 Q195 K196 L197	M76-C193 HydrophobicContact SD-CB 4.16Å; M76-C193 VanDerWaalsContact SD-SG 3.62Å; F153-C193 HydrophobicContact CD1-CB 4.49Å; F153-C193 WeakPolarHBondContact CD1-SG 3.49Å; R189-C193 WeakPolarHBondContact O-CB 3.21Å; R189-C193 PolarHBondContact O-N 2.69Å; L190-C193 WeakPolarHBondContact O-CB 3.47Å; L190-C193 PolarHBondContact O-N 2.97Å; R191-C193 VanDerWaalsContact C-N 3.31Å; R191-C193 PolarHBondContact O-N 2.98Å; C193-Q195 VanDerWaalsContact C-N 3.33Å; C193-Q195 PolarHBondContact O-N 2.89Å; C193-K196 PolarHBondContact O-N 2.92Å; C193-L197 WeakPolarHBondContact O-CB 3.48Å; C193-L197 PolarHBondContact O-N 3.13Å
194	M	65.7	Low	71.6	Confident	95 Å²	95	42.8 Å²	42.8	47%	0.468	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-39	178.1	-72.7	-65.7	-65.9	0	0	112.9	M76 L190 R191 L197 A198	M76-M194 HydrophobicContact CB-SD 4.33Å; M76-M194 HydrophobicContact CG-SD 3.96Å; M76-M194 HydrophobicContact SD-CG 4.22Å; M76-M194 HydrophobicContact SD-SD 3.92Å; L190-M194 WeakPolarHBondContact O-CG 3.23Å; L190-M194 PolarHBondContact O-N 3.11Å; R191-M194 PolarHBondContact O-N 3.02Å; M194-L197 PolarHBondContact O-N 2.83Å; M194-L197 HydrophobicContact SD-CD1 4.46Å; M194-A198 VanDerWaalsContact O-CB 3.24Å; M194-A198 WeakPolarHBondContact O-CB 3.36Å; M194-A198 PolarHBondContact O-N 3.18Å
195	Q	66.7	Low	73	Confident	25 Å²	25	41.3 Å²	41.3	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-46.2	176.2	-78.5	174.2	-15.9	0	0	111.5	R191 C193 A198 C199 E333	R191-Q195 WeakPolarHBondContact O-CG 3.45Å; R191-Q195 PolarHBondContact O-N 3.04Å; C193-Q195 VanDerWaalsContact C-N 3.33Å; C193-Q195 PolarHBondContact O-N 2.89Å; Q195-A198 CarbonylContact O-C 3.49Å; Q195-A198 PolarHBondContact O-N 2.86Å; Q195-C199 PolarHBondContact O-N 3.03Å; Q195-E333 HydrophobicContact CB-CG 4Å
196	K	64.1	Low	74.1	Confident	62 Å²	62	39.5 Å²	39.5	27%	0.27	21%	0.209	S	C	.	.	H	α-helix	trans	-72.3	-31.2	178.1	-61.2	168.1	178.8	172.3	0	113.6	F153 A192 C193 A198 C199 E333	F153-K196 HydrophobicContact CE1-CB 3.9Å; F153-K196 HydrophobicContact CE1-CD 3.69Å; F153-K196 HydrophobicContact CE1-CG 4.49Å; F153-K196 HydrophobicContact CE2-CB 4.23Å; F153-K196 HydrophobicContact CZ-CB 3.29Å; F153-K196 HydrophobicContact CZ-CD 3.78Å; F153-K196 HydrophobicContact CZ-CG 4.22Å; A192-K196 WeakPolarHBondContact O-CG 3.38Å; A192-K196 PolarHBondContact O-N 3.18Å; C193-K196 PolarHBondContact O-N 2.92Å; K196-A198 PolarHBondContact O-N 2.93Å; K196-C199 VanDerWaalsContact O-CB 3.27Å; K196-C199 WeakPolarHBondContact O-CB 3.26Å; K196-C199 PolarHBondContact O-N 2.83Å; K196-E333 WeakPolarHBondContact CE-O 3.32Å; K196-E333 HydrophobicContact CG-CB 3.99Å; K196-E333 WeakPolarHBondContact CG-O 3.34Å
197	L	60.1	Low	75.3	Confident	34 Å²	34	45 Å²	45	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-31.2	171	-89.3	155.6	0	0	0	111.6	M76 I80 L83 F153 C193 M194 C199 H450	M76-L197 HydrophobicContact CG-CD1 4.01Å; M76-L197 HydrophobicContact SD-CD1 4.07Å; I80-L197 HydrophobicContact CD1-CD1 4.33Å; I80-L197 HydrophobicContact CG1-CD1 4.25Å; I80-L197 HydrophobicContact CG1-CD2 4.25Å; L83-L197 HydrophobicContact CD2-CD2 3.73Å; F153-L197 HydrophobicContact CD2-CD2 3.99Å; F153-L197 HydrophobicContact CD2-CG 3.86Å; F153-L197 HydrophobicContact CE2-CD2 4.33Å; F153-L197 HydrophobicContact CE2-CG 3.94Å; F153-L197 HydrophobicContact CG-CG 4.44Å; C193-L197 WeakPolarHBondContact O-CB 3.48Å; C193-L197 PolarHBondContact O-N 3.13Å; M194-L197 PolarHBondContact O-N 2.83Å; M194-L197 HydrophobicContact SD-CD1 4.46Å; L197-C199 VanDerWaalsContact C-N 3.3Å; L197-H450 PolarHBondContact O-CE1 3.22Å; L197-H450 PolarHBondContact O-NE2 3.13Å
198	A	65.1	Low	76.8	Confident	23 Å²	23	44.1 Å²	44.1	19%	0.19	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	19.3	-178	0	0	0	0	0	113.5	M194 Q195 K196 H450	M194-A198 VanDerWaalsContact O-CB 3.24Å; M194-A198 WeakPolarHBondContact O-CB 3.36Å; M194-A198 PolarHBondContact O-N 3.18Å; Q195-A198 CarbonylContact O-C 3.49Å; Q195-A198 PolarHBondContact O-N 2.86Å; K196-A198 PolarHBondContact O-N 2.93Å; A198-H450 WeakPolarHBondContact CA-NE2 3.32Å; A198-H450 PolarHBondContact O-NE2 2.59Å
199	C	72.8	Confident	78.1	Confident	28 Å²	28	44.8 Å²	44.8	19%	0.189	24%	0.24	C	C	.	.			trans	-81.9	134.1	179.3	-98.6	0	0	0	0	114.5	Q195 K196 L197 E333 C381 H450	Q195-C199 PolarHBondContact O-N 3.03Å; K196-C199 VanDerWaalsContact O-CB 3.27Å; K196-C199 WeakPolarHBondContact O-CB 3.26Å; K196-C199 PolarHBondContact O-N 2.83Å; L197-C199 VanDerWaalsContact C-N 3.3Å; C199-E333 VanDerWaalsContact SG-CD 3.58Å; C199-E333 VanDerWaalsContact SG-CG 3.59Å; C199-C381 WeakPolarHBondContact CA-SG 3.3Å; C199-C381 HydrophobicContact CB-CB 3.54Å; C199-C381 WeakPolarHBondContact CB-SG 3.28Å; C199-C381 VanDerWaalsContact SG-CA 3.59Å; C199-C381 WeakPolarHBondContact SG-CB 3.26Å; C199-C381 CovalentContact SG-SG 2.03Å; C199-C381 PolarHBondContact SG-SG 2.85Å; C199-H450 PolarHBondContact N-CE1 3.17Å; C199-H450 VanDerWaalsContact N-CE1 3.26Å; C199-H450 PolarHBondContact N-NE2 2.77Å; C199-H450 PolarHBondContact O-CE1 3.39Å; C199-H450 PolarHBondContact O-ND1 2.79Å
200	G	75	Confident	79.4	Confident	13 Å²	13	43 Å²	43	13%	0.134	24%	0.238	C	C	.	.			trans	-150.4	175.6	178.5	0	0	0	0	0	113.9	F449	G200-F449 CarbonylContact C-O 3.6Å; G200-F449 VanDerWaalsContact CA-O 3.27Å; G200-F449 WeakPolarHBondContact CA-O 3.5Å
201	K	81.8	Confident	80.8	Confident	71 Å²	71	43.4 Å²	43.4	31%	0.309	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.3	176.5	-179.1	171.8	174.3	171.5	0	110.2	T203 E408 L448 F449	K201-T203 PolarHBondContact O-N 3.44Å; K201-E408 VanDerWaalsContact CE-OE1 3.26Å; K201-E408 WeakPolarHBondContact CE-OE1 3.33Å; K201-E408 IonicContact NZ-OE1 3.26Å; K201-E408 PolarHBondContact NZ-OE1 2.8Å; K201-E408 IonicContact NZ-OE2 2.7Å; K201-E408 PolarHBondContact NZ-OE2 2.93Å; K201-L448 CarbonylContact O-C 3.59Å; K201-L448 WeakPolarHBondContact O-CA 3.32Å; K201-F449 PolarHBondContact N-O 3.27Å; K201-F449 PolarHBondContact O-N 2.77Å
202	L	89.5	Confident	82.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	129.8	175.6	-177	67.3	0	0	0	109.9	G204 I205 F378 I380 Y385 V396 I412 V446 L448	L202-G204 WeakPolarHBondContact CD1-O 3.48Å; L202-I205 HydrophobicContact CD1-CG1 4.3Å; L202-I205 HydrophobicContact CD2-CD1 4.23Å; L202-I205 HydrophobicContact CD2-CG1 4.3Å; L202-F378 HydrophobicContact CD2-CE2 3.98Å; L202-F378 HydrophobicContact CD2-CZ 3.88Å; L202-I380 HydrophobicContact CD1-CD1 4.25Å; L202-Y385 HydrophobicContact CB-CD1 4.19Å; L202-Y385 HydrophobicContact CB-CE1 3.56Å; L202-Y385 HydrophobicContact CB-CE2 4.1Å; L202-Y385 VanDerWaalsContact CB-CZ 3.5Å; L202-Y385 HydrophobicContact CD2-CD1 4Å; L202-Y385 HydrophobicContact CD2-CE1 4.22Å; L202-Y385 HydrophobicContact CD2-CG 4.19Å; L202-Y385 PolarHBondContact N-OH 2.92Å; L202-V396 HydrophobicContact CD2-CG2 4.43Å; L202-I412 HydrophobicContact CB-CD1 4.25Å; L202-I412 HydrophobicContact CD2-CD1 4.07Å; L202-I412 HydrophobicContact CG-CD1 3.83Å; L202-I412 VanDerWaalsContact O-CD1 3.26Å; L202-I412 WeakPolarHBondContact O-CD1 3.3Å; L202-V446 HydrophobicContact CD1-CB 3.73Å; L202-V446 HydrophobicContact CD1-CG1 3.96Å; L202-L448 HydrophobicContact CB-CD2 4.31Å; L202-L448 HydrophobicContact CD1-CD2 3.99Å
203	T	87.9	Confident	83.6	Confident	72 Å²	72	43.1 Å²	43.1	44%	0.442	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-21.3	178.5	51.2	0	0	0	0	113.8	K201 T447 F449	K201-T203 PolarHBondContact O-N 3.44Å; T203-T447 PolarHBondContact N-O 2.97Å; T203-T447 PolarHBondContact OG1-O 3.49Å; T203-T447 VanDerWaalsContact OG1-O 3.09Å; T203-F449 HydrophobicContact CG2-CB 3.41Å; T203-F449 VanDerWaalsContact CG2-CB 3.41Å; T203-F449 HydrophobicContact CG2-CG 4.36Å
204	G	86.8	Confident	85.1	Confident	19 Å²	19	44.1 Å²	44.1	20%	0.196	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	150.9	179.5	0	0	0	0	0	112.4	L202 T447	L202-G204 WeakPolarHBondContact CD1-O 3.48Å; G204-T447 PolarHBondContact N-O 2.91Å; G204-T447 PolarHBondContact O-N 2.98Å
205	I	97.3	Very high	86.6	Confident	26 Å²	26	41.7 Å²	41.7	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.2	171.6	-57.6	175.8	0	0	0	106.3	L202 V396 I412 L414 L433 Y444	L202-I205 HydrophobicContact CD1-CG1 4.3Å; L202-I205 HydrophobicContact CD2-CD1 4.23Å; L202-I205 HydrophobicContact CD2-CG1 4.3Å; I205-V396 HydrophobicContact CD1-CG2 3.66Å; I205-I412 HydrophobicContact CD1-CG2 4.21Å; I205-I412 HydrophobicContact CG1-CG2 4.01Å; I205-L414 HydrophobicContact CD1-CB 4.45Å; I205-L414 HydrophobicContact CD1-CD1 4.08Å; I205-L414 HydrophobicContact CG2-CD1 3.8Å; I205-L433 HydrophobicContact CD1-CD1 4.02Å; I205-L433 HydrophobicContact CG1-CD1 4.49Å; I205-L433 HydrophobicContact CG2-CD1 4.42Å; I205-Y444 HydrophobicContact CG2-CD1 3.85Å; I205-Y444 HydrophobicContact CG2-CG 3.95Å
206	S	94.9	Very high	88	Confident	40 Å²	40	42.8 Å²	42.8	28%	0.28	26%	0.26	S	S	.	.			trans	-70.8	175.2	-179.7	75.4	0	0	0	0	112.5	Y444 N445	S206-Y444 WeakPolarHBondContact O-CD1 3.25Å; S206-N445 PolarHBondContact N-O 3.5Å; S206-N445 PolarHBondContact OG-N 2.84Å
207	D	95.6	Very high	89.6	Confident	120 Å²	120	45.9 Å²	45.9	64%	0.642	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-62.6	150.6	164.8	-69	-15.7	0	0	0	111.3	Q415	D207-Q415 PolarHBondContact OD1-OE1 2.85Å
208	P	97.3	Very high	91.5	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.091	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-71	128.8	-178.6	21	-27.5	0	0	0	112.8	Q415 K417 V442 Y444	P208-Q415 HydrophobicContact CG-CB 4.35Å; P208-Q415 HydrophobicContact CG-CG 4.28Å; P208-K417 HydrophobicContact CB-CB 4.36Å; P208-K417 HydrophobicContact CB-CD 4.42Å; P208-K417 HydrophobicContact CG-CB 3.75Å; P208-K417 HydrophobicContact CG-CD 4Å; P208-K417 HydrophobicContact CG-CG 4.44Å; P208-V442 HydrophobicContact CB-CG1 3.32Å; P208-Y444 HydrophobicContact CB-CD1 4.1Å; P208-Y444 HydrophobicContact CB-CE1 3.46Å; P208-Y444 VanDerWaalsContact CB-CE1 3.46Å; P208-Y444 HydrophobicContact CG-CE1 3.98Å
209	I	98	Very high	93.1	Very high	84 Å²	84	45.2 Å²	45.2	43%	0.431	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.6	172	-53.6	173.2	0	0	0	108.5	I211 V442 L443	I209-I211 HydrophobicContact CG2-CD1 3.87Å; I209-I211 PolarHBondContact O-N 2.87Å; I209-V442 CarbonylContact O-C 3.55Å; I209-V442 VanDerWaalsContact O-CA 3.29Å; I209-V442 WeakPolarHBondContact O-CA 3.38Å; I209-L443 PolarHBondContact N-O 2.91Å; I209-L443 PolarHBondContact O-N 2.88Å
210	T	98.4	Very high	94.3	Very high	42 Å²	42	43.9 Å²	43.9	26%	0.258	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.9	177.3	-51.7	0	0	0	0	109.7	K417 Y418	T210-K417 PolarHBondContact OG1-NZ 3.02Å; T210-Y418 HydrophobicContact CG2-CE2 4.39Å; T210-Y418 WeakPolarHBondContact CG2-OH 3.4Å; T210-Y418 PolarHBondContact OG1-OH 3.17Å
211	I	98.1	Very high	95.4	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.108	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-46.1	-178.5	-57	-54.1	0	0	0	111	I209 W221 M252 F255 M256 Q441 L443	I209-I211 HydrophobicContact CG2-CD1 3.87Å; I209-I211 PolarHBondContact O-N 2.87Å; I211-W221 HydrophobicContact CB-CH2 4.08Å; I211-W221 HydrophobicContact CG1-CH2 3.82Å; I211-W221 HydrophobicContact CG1-CZ2 4.31Å; I211-W221 HydrophobicContact CG2-CH2 4.16Å; I211-W221 HydrophobicContact CG2-CZ3 4.26Å; I211-M252 HydrophobicContact CG2-SD 3.74Å; I211-F255 HydrophobicContact CG2-CD1 3.8Å; I211-F255 HydrophobicContact CG2-CE1 3.8Å; I211-M256 HydrophobicContact CG2-CG 3.56Å; I211-M256 HydrophobicContact CG2-SD 4.2Å; I211-Q441 PolarHBondContact N-O 3.43Å; I211-L443 HydrophobicContact CD1-CD1 3.86Å; I211-L443 HydrophobicContact CD1-CG 4.22Å; I211-L443 HydrophobicContact CG1-CB 4.37Å; I211-L443 HydrophobicContact CG1-CD1 3.9Å; I211-L443 HydrophobicContact CG1-CG 3.82Å
212	K	97.7	Very high	96.2	Very high	20 Å²	20	40.4 Å²	40.4	9%	0.087	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.6	178.6	-166.9	-178.9	-178.3	73.2	0	111	S214 F255 S258 D259 H440 Q441	K212-S214 VanDerWaalsContact CD-OG 3.28Å; K212-S214 WeakPolarHBondContact CD-OG 3.31Å; K212-S214 WeakPolarHBondContact CE-OG 3.28Å; K212-F255 HydrophobicContact CB-CD1 4.42Å; K212-F255 HydrophobicContact CB-CE1 3.75Å; K212-F255 HydrophobicContact CB-CE2 4.47Å; K212-F255 HydrophobicContact CB-CZ 3.78Å; K212-F255 HydrophobicContact CD-CD1 4.48Å; K212-F255 HydrophobicContact CD-CD2 3.78Å; K212-F255 HydrophobicContact CD-CE1 4.14Å; K212-F255 HydrophobicContact CD-CE2 3.38Å; K212-F255 HydrophobicContact CD-CG 4.31Å; K212-F255 HydrophobicContact CD-CZ 3.57Å; K212-F255 VanDerWaalsContact CD-O 3.22Å; K212-F255 WeakPolarHBondContact CD-O 3.31Å; K212-F255 WeakPolarHBondContact CE-O 3.3Å; K212-F255 HydrophobicContact CG-CZ 4.3Å; K212-F255 PolarHBondContact NZ-O 3.37Å; K212-S258 PolarHBondContact NZ-O 2.87Å; K212-D259 IonicContact NZ-OD1 2.97Å; K212-D259 PolarHBondContact NZ-OD1 3.13Å; K212-H440 CarbonylContact O-C 3.59Å; K212-H440 WeakPolarHBondContact O-CA 3.44Å; K212-Q441 HydrophobicContact CB-CB 4.38Å; K212-Q441 PolarHBondContact N-O 3.43Å; K212-Q441 PolarHBondContact O-N 2.85Å; K212-Q441 PolarHBondContact O-OE1 3.35Å
213	T	98.1	Very high	96.7	Very high	93 Å²	93	41.1 Å²	41.1	57%	0.571	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	101.4	167.1	-64	0	0	0	0	107.8	H440	T213-H440 PolarHBondContact OG1-CE1 3.4Å; T213-H440 VanDerWaalsContact OG1-CE1 3.24Å; T213-H440 PolarHBondContact OG1-ND1 2.87Å
214	S	96.8	Very high	97.1	Very high	21 Å²	21	38.5 Å²	38.5	15%	0.147	22%	0.222	C	C	.	.			trans	-162.2	155.7	-177.4	69.3	0	0	0	0	112.3	K212 Y236 G439 Q441	K212-S214 VanDerWaalsContact CD-OG 3.28Å; K212-S214 WeakPolarHBondContact CD-OG 3.31Å; K212-S214 WeakPolarHBondContact CE-OG 3.28Å; S214-Y236 PolarHBondContact O-OH 2.9Å; S214-Y236 PolarHBondContact OG-OH 3.17Å; S214-G439 PolarHBondContact N-O 3.01Å; S214-G439 VanDerWaalsContact O-O 3.06Å; S214-Q441 PolarHBondContact O-NE2 3.34Å; S214-Q441 PolarHBondContact OG-OE1 2.86Å
215	G	96.6	Very high	97.5	Very high	44 Å²	44	38 Å²	38	45%	0.454	22%	0.215	S	C	.	.	S	Bend	trans	88.7	-173.5	176.8	0	0	0	0	0	114.7	Y236 D238	G215-Y236 WeakPolarHBondContact CA-OH 3.22Å; G215-Y236 PolarHBondContact N-OH 2.84Å; G215-D238 WeakPolarHBondContact CA-OD2 3.5Å
216	S	97.1	Very high	97.3	Very high	48 Å²	48	38.5 Å²	38.5	34%	0.336	22%	0.218	S	C	.	.	S	Bend	trans	-76.2	-178	174.4	76.9	0	0	0	0	111.9	F218 D238 W436 G439	S216-F218 PolarHBondContact O-N 3.12Å; S216-F218 VanDerWaalsContact O-N 3.15Å; S216-F218 PolarHBondContact OG-N 3.21Å; S216-F218 PolarHBondContact OG-O 2.68Å; S216-D238 WeakPolarHBondContact CB-OD1 3.4Å; S216-D238 PolarHBondContact N-OD1 3.43Å; S216-D238 PolarHBondContact N-OD2 2.72Å; S216-D238 PolarHBondContact OG-OD1 3.25Å; S216-W436 VanDerWaalsContact O-CZ2 3.32Å; S216-W436 WeakPolarHBondContact O-CZ2 3.48Å; S216-W436 PolarHBondContact O-NE1 3.47Å; S216-W436 VanDerWaalsContact O-NE1 3.16Å; S216-G439 VanDerWaalsContact O-CA 3.23Å; S216-G439 WeakPolarHBondContact O-CA 3.33Å
217	R	97.8	Very high	97.2	Very high	128 Å²	128	37.5 Å²	37.5	48%	0.483	21%	0.212	S	C	.	.	S	Bend	trans	-58.3	-27.5	177.9	-180	165.6	-171.3	-163.2	2.6	113.5	H420 W436 N438	R217-H420 PolarHBondContact NH2-CD2 3.5Å; R217-W436 PolarHBondContact O-NE1 3.3Å; R217-N438 WeakPolarHBondContact CG-OD1 3.49Å; R217-N438 PolarHBondContact NE-OD1 3.23Å
218	F	98.4	Very high	96.7	Very high	43 Å²	43	36.2 Å²	36.2	19%	0.189	21%	0.21	C	C	.	.	S	Bend	trans	-129.4	150.2	-172.4	-42	-80.3	0	0	0	110.4	S216 G239 Y240 W321 H420 W436	S216-F218 PolarHBondContact O-N 3.12Å; S216-F218 VanDerWaalsContact O-N 3.15Å; S216-F218 PolarHBondContact OG-N 3.21Å; S216-F218 PolarHBondContact OG-O 2.68Å; F218-G239 VanDerWaalsContact O-CA 3.23Å; F218-G239 WeakPolarHBondContact O-CA 3.49Å; F218-G239 PolarHBondContact O-N 3.06Å; F218-Y240 HydrophobicContact CB-CD1 3.78Å; F218-Y240 AromaticContact CD2-CD1 3.66Å; F218-Y240 HydrophobicContact CD2-CD1 3.66Å; F218-Y240 AromaticContact CD2-CE1 3.51Å; F218-Y240 HydrophobicContact CD2-CE1 3.51Å; F218-Y240 HydrophobicContact CE2-CD1 4.38Å; F218-Y240 AromaticContact CE2-CE1 3.8Å; F218-Y240 HydrophobicContact CE2-CE1 3.8Å; F218-Y240 AromaticContact CG-CD1 3.77Å; F218-Y240 HydrophobicContact CG-CD1 3.77Å; F218-Y240 HydrophobicContact CG-CE1 4.03Å; F218-W321 HydrophobicContact CD1-CE3 4.14Å; F218-W321 AromaticContact CD1-CZ3 3.95Å; F218-W321 HydrophobicContact CD1-CZ3 3.95Å; F218-W321 HydrophobicContact CE1-CE3 4.27Å; F218-W321 HydrophobicContact CE1-CZ3 4.41Å; F218-W321 HydrophobicContact CG-CZ3 4.47Å; F218-H420 AromaticContact CD1-CE1 3.82Å; F218-H420 AromaticContact CE1-CE1 3.42Å; F218-H420 VanDerWaalsContact CE1-CE1 3.42Å; F218-H420 WeakPolarHBondContact CE1-CE1 3.43Å; F218-H420 AromaticContact CE1-NE2 3.8Å; F218-W436 VanDerWaalsContact C-CE2 3.48Å; F218-W436 WeakPolarHBondContact O-CZ2 3.45Å
219	G	98.5	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-173.1	177.4	0	0	0	0	0	110.2	M237 T273 M423 W436	G219-M237 CarbonylContact C-O 3.59Å; G219-M237 WeakPolarHBondContact CA-O 3.34Å; G219-T273 WeakPolarHBondContact O-CG2 3.5Å; G219-M423 WeakPolarHBondContact O-CB 3.22Å; G219-W436 VanDerWaalsContact C-CD2 3.49Å; G219-W436 WeakPolarHBondContact O-CB 3.45Å
220	S	98.7	Very high	95.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154	175	60.6	0	0	0	0	110	M237 T273 Q275	S220-M237 PolarHBondContact N-O 3.01Å; S220-M237 PolarHBondContact O-N 3.06Å; S220-T273 VanDerWaalsContact CB-O 3.26Å; S220-T273 WeakPolarHBondContact CB-O 3.38Å; S220-Q275 PolarHBondContact OG-OE1 3.31Å
221	W	98.8	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	146.9	176.5	74.2	-65.1	0	0	0	109.1	I211 V234 W235 Y236 M252 F255 Y434 A435 Q441 L443	I211-W221 HydrophobicContact CB-CH2 4.08Å; I211-W221 HydrophobicContact CG1-CH2 3.82Å; I211-W221 HydrophobicContact CG1-CZ2 4.31Å; I211-W221 HydrophobicContact CG2-CH2 4.16Å; I211-W221 HydrophobicContact CG2-CZ3 4.26Å; W221-V234 HydrophobicContact CE3-CG1 3.86Å; W221-V234 HydrophobicContact CZ3-CG1 4.39Å; W221-W235 CarbonylContact C-O 3.6Å; W221-W235 WeakPolarHBondContact CA-O 3.45Å; W221-Y236 HydrophobicContact CB-CD2 4.19Å; W221-M252 HydrophobicContact CH2-CE 4.44Å; W221-M252 HydrophobicContact CZ3-CE 3.95Å; W221-M252 HydrophobicContact CZ3-SD 4.09Å; W221-F255 HydrophobicContact CD2-CE1 4.41Å; W221-F255 HydrophobicContact CE3-CD1 4.36Å; W221-F255 AromaticContact CE3-CE1 3.66Å; W221-F255 HydrophobicContact CE3-CE1 3.66Å; W221-F255 HydrophobicContact CE3-CZ 4.1Å; W221-F255 HydrophobicContact CZ3-CD1 4.25Å; W221-F255 AromaticContact CZ3-CE1 3.79Å; W221-F255 HydrophobicContact CZ3-CE1 3.79Å; W221-Y434 AromaticContact CD2-CD1 3.83Å; W221-Y434 HydrophobicContact CD2-CD1 3.83Å; W221-Y434 HydrophobicContact CD2-CE1 4.48Å; W221-Y434 AromaticContact CE2-CD1 3.67Å; W221-Y434 AromaticContact CE3-CD1 3.81Å; W221-Y434 HydrophobicContact CE3-CD1 3.81Å; W221-Y434 AromaticContact CE3-CE1 4Å; W221-Y434 HydrophobicContact CE3-CE1 4Å; W221-Y434 AromaticContact CH2-CD1 3.48Å; W221-Y434 HydrophobicContact CH2-CD1 3.48Å; W221-Y434 VanDerWaalsContact CH2-CD1 3.48Å; W221-Y434 AromaticContact CH2-CE1 3.54Å; W221-Y434 HydrophobicContact CH2-CE1 3.54Å; W221-Y434 HydrophobicContact CH2-CG 4.49Å; W221-Y434 AromaticContact CZ2-CD1 3.51Å; W221-Y434 HydrophobicContact CZ2-CD1 3.51Å; W221-Y434 HydrophobicContact CZ2-CE1 4.08Å; W221-Y434 HydrophobicContact CZ2-CG 4.23Å; W221-Y434 AromaticContact CZ3-CD1 3.66Å; W221-Y434 HydrophobicContact CZ3-CD1 3.66Å; W221-Y434 AromaticContact CZ3-CE1 3.52Å; W221-Y434 HydrophobicContact CZ3-CE1 3.52Å; W221-A435 PolarHBondContact NE1-O 2.75Å; W221-Q441 HydrophobicContact CB-CG 4.24Å; W221-Q441 HydrophobicContact CD2-CB 3.79Å; W221-Q441 HydrophobicContact CD2-CG 3.9Å; W221-Q441 HydrophobicContact CE3-CB 4.4Å; W221-Q441 HydrophobicContact CG-CB 4.04Å; W221-Q441 HydrophobicContact CG-CG 3.62Å; W221-Q441 HydrophobicContact CZ2-CB 4.04Å; W221-L443 HydrophobicContact CH2-CD1 4.2Å; W221-L443 HydrophobicContact CH2-CD2 3.76Å; W221-L443 HydrophobicContact CH2-CG 3.73Å; W221-L443 HydrophobicContact CZ2-CD2 3.81Å; W221-L443 HydrophobicContact CZ2-CG 3.93Å
222	M	98.6	Very high	94.6	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.049	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	164.9	-171.1	61	-152.7	58.1	0	0	111.3	W235 M237 Q275 V276 V277 M423	M222-W235 HydrophobicContact CG-CB 4.18Å; M222-W235 PolarHBondContact N-O 3.47Å; M222-W235 PolarHBondContact O-N 2.64Å; M222-M237 HydrophobicContact CE-CE 3.64Å; M222-M237 HydrophobicContact CE-SD 4.47Å; M222-M237 HydrophobicContact CG-CE 4.33Å; M222-M237 HydrophobicContact SD-CE 4.01Å; M222-Q275 HydrophobicContact CE-CB 4.49Å; M222-Q275 WeakPolarHBondContact CE-O 3.15Å; M222-V276 WeakPolarHBondContact SD-CA 3.5Å; M222-V277 HydrophobicContact CG-CB 4.31Å; M222-V277 HydrophobicContact CG-CG2 4.11Å; M222-V277 HydrophobicContact SD-CB 4.27Å; M222-V277 HydrophobicContact SD-CG2 3.89Å; M222-V277 PolarHBondContact SD-N 2.84Å; M222-M423 HydrophobicContact CE-CE 4.41Å
223	T	98.4	Very high	94.6	Very high	18 Å²	18	48.9 Å²	48.9	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	161.8	164.7	55.4	0	0	0	0	108.6	P225 V234 M252 N427 Y434	T223-P225 WeakPolarHBondContact O-CD 3.34Å; T223-V234 HydrophobicContact CG2-CG2 4.03Å; T223-M252 HydrophobicContact CG2-CE 4.19Å; T223-N427 PolarHBondContact O-ND2 2.87Å; T223-N427 PolarHBondContact OG1-ND2 2.97Å; T223-Y434 HydrophobicContact CG2-CE1 4.23Å; T223-Y434 PolarHBondContact OG1-OH 3.37Å
224	D	98.1	Very high	94.6	Very high	18 Å²	18	44.4 Å²	44.4	10%	0.096	26%	0.258	C	S	.	.			trans	-83.8	116.9	175.8	-172.9	-15.5	0	0	0	109.7	L226 A227 V277 Y278 N279 G280	D224-L226 PolarHBondContact O-N 3.04Å; D224-L226 PolarHBondContact OD1-N 3.08Å; D224-A227 HydrophobicContact CB-CB 4.2Å; D224-A227 VanDerWaalsContact O-CB 3.23Å; D224-A227 WeakPolarHBondContact O-CB 3.41Å; D224-A227 PolarHBondContact O-N 3.45Å; D224-V277 HydrophobicContact CB-CG1 3.93Å; D224-Y278 WeakPolarHBondContact OD1-CA 3.14Å; D224-N279 VanDerWaalsContact CG-N 3.3Å; D224-N279 PolarHBondContact OD1-N 2.97Å; D224-N279 WeakPolarHBondContact OD2-CA 3.37Å; D224-N279 PolarHBondContact OD2-N 2.75Å; D224-G280 PolarHBondContact OD2-N 3.42Å
225	P	95	Very high	94.7	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.045	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.8	-179.5	27.2	-34.5	0	0	0	113.8	T223 V277 Y278 V331 N427 P428 H429	T223-P225 WeakPolarHBondContact O-CD 3.34Å; P225-V277 WeakPolarHBondContact CD-O 3.33Å; P225-Y278 HydrophobicContact CG-CD2 3.93Å; P225-Y278 HydrophobicContact CG-CE2 4.32Å; P225-V331 HydrophobicContact CG-CG1 3.84Å; P225-N427 WeakPolarHBondContact CB-OD1 3.27Å; P225-P428 HydrophobicContact CB-CG 3.82Å; P225-P428 HydrophobicContact CG-CG 4.33Å; P225-H429 HydrophobicContact CB-CB 3.98Å
226	L	92.9	Very high	94.8	Very high	38 Å²	38	41.7 Å²	41.7	20%	0.199	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	16.7	174.7	-64.7	-174.8	0	0	0	112.7	D224 Y278 N279	D224-L226 PolarHBondContact O-N 3.04Å; D224-L226 PolarHBondContact OD1-N 3.08Å; L226-Y278 HydrophobicContact CD1-CD2 4.06Å; L226-Y278 HydrophobicContact CD1-CE1 4.09Å; L226-Y278 HydrophobicContact CD1-CE2 3.36Å; L226-Y278 WeakPolarHBondContact CD1-OH 3.49Å; L226-Y278 HydrophobicContact CG-CD2 4.19Å; L226-Y278 HydrophobicContact CG-CE2 3.64Å; L226-N279 HydrophobicContact CB-CB 4.32Å; L226-N279 HydrophobicContact CD1-CB 4.01Å
227	A	91.5	Very high	94.9	Very high	19 Å²	19	39.4 Å²	39.4	16%	0.157	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55.9	136	173	0	0	0	0	0	111	D224 D231	D224-A227 HydrophobicContact CB-CB 4.2Å; D224-A227 VanDerWaalsContact O-CB 3.23Å; D224-A227 WeakPolarHBondContact O-CB 3.41Å; D224-A227 PolarHBondContact O-N 3.45Å; A227-D231 HydrophobicContact CB-CB 4.06Å
228	P	86.1	Confident	94.9	Very high	92 Å²	92	34.8 Å²	34.8	60%	0.597	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-59.7	161.5	171.8	-23.4	33.8	0	0	0	112.4	G230 D231	P228-G230 PolarHBondContact O-N 3.14Å; P228-D231 WeakPolarHBondContact O-CB 3.48Å; P228-D231 PolarHBondContact O-N 3.46Å
229	E	79.8	Confident	94.9	Very high	175 Å²	175	33.4 Å²	33.4	82%	0.818	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	131.9	177.6	-167.7	170.7	179.6	0	0	111.4	D231	E229-D231 VanDerWaalsContact C-N 3.31Å
230	G	83	Confident	94.9	Very high	72 Å²	72	36.7 Å²	36.7	74%	0.742	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-14.9	-175.4	0	0	0	0	0	114.9	P228 T232	P228-G230 PolarHBondContact O-N 3.14Å; G230-T232 PolarHBondContact O-N 3.39Å
231	D	90.4	Very high	94.6	Very high	39 Å²	39	40.8 Å²	40.8	21%	0.209	23%	0.23	C	C	.	.			trans	-84.2	108.2	172.4	-174.1	-5.2	0	0	0	110.4	A227 P228 E229 R233	A227-D231 HydrophobicContact CB-CB 4.06Å; P228-D231 WeakPolarHBondContact O-CB 3.48Å; P228-D231 PolarHBondContact O-N 3.46Å; E229-D231 VanDerWaalsContact C-N 3.31Å; D231-R233 VanDerWaalsContact CG-NE 3.26Å; D231-R233 WeakPolarHBondContact OD1-CB 3.21Å; D231-R233 WeakPolarHBondContact OD1-CD 3.43Å; D231-R233 WeakPolarHBondContact OD1-CG 3.44Å; D231-R233 IonicContact OD1-CZ 3.74Å; D231-R233 PolarHBondContact OD1-N 3.47Å; D231-R233 IonicContact OD1-NE 2.64Å; D231-R233 PolarHBondContact OD1-NE 2.91Å; D231-R233 IonicContact OD1-NH2 2.63Å; D231-R233 IonicContact OD2-CZ 3.47Å; D231-R233 VanDerWaalsContact OD2-CZ 3.22Å; D231-R233 IonicContact OD2-NE 3.18Å; D231-R233 PolarHBondContact OD2-NE 3.38Å; D231-R233 IonicContact OD2-NH2 3.51Å; D231-R233 PolarHBondContact OD2-NH2 3.05Å
232	T	93.9	Very high	94.2	Very high	76 Å²	76	44.8 Å²	44.8	47%	0.466	25%	0.251	S	S	.	.			trans	-119.6	25.8	-177.6	56.4	0	0	0	0	112	G230 S251 M252	G230-T232 PolarHBondContact O-N 3.39Å; T232-S251 CarbonylContact O-C 3.6Å; T232-S251 VanDerWaalsContact O-CA 3.3Å; T232-S251 WeakPolarHBondContact O-CA 3.47Å; T232-S251 WeakPolarHBondContact OG1-CB 3.46Å; T232-M252 PolarHBondContact O-N 2.98Å
233	R	97.8	Very high	94.1	Very high	85 Å²	85	46.3 Å²	46.3	32%	0.321	26%	0.26	S	S	.	.			trans	-62.2	141.7	-175.3	-72.1	179.1	-75.1	173.2	1.1	112.2	D231 E248 Y249 K250	D231-R233 VanDerWaalsContact CG-NE 3.26Å; D231-R233 WeakPolarHBondContact OD1-CB 3.21Å; D231-R233 WeakPolarHBondContact OD1-CD 3.43Å; D231-R233 WeakPolarHBondContact OD1-CG 3.44Å; D231-R233 IonicContact OD1-CZ 3.74Å; D231-R233 PolarHBondContact OD1-N 3.47Å; D231-R233 IonicContact OD1-NE 2.64Å; D231-R233 PolarHBondContact OD1-NE 2.91Å; D231-R233 IonicContact OD1-NH2 2.63Å; D231-R233 IonicContact OD2-CZ 3.47Å; D231-R233 VanDerWaalsContact OD2-CZ 3.22Å; D231-R233 IonicContact OD2-NE 3.18Å; D231-R233 PolarHBondContact OD2-NE 3.38Å; D231-R233 IonicContact OD2-NH2 3.51Å; D231-R233 PolarHBondContact OD2-NH2 3.05Å; R233-E248 WeakPolarHBondContact CD-OE1 3.35Å; R233-E248 IonicContact CZ-OE1 2.76Å; R233-E248 IonicContact NE-OE1 2.69Å; R233-E248 IonicContact NH1-OE1 2.89Å; R233-E248 PolarHBondContact NH1-OE1 2.86Å; R233-Y249 VanDerWaalsContact CA-O 3.25Å; R233-Y249 WeakPolarHBondContact CA-O 3.34Å; R233-K250 WeakPolarHBondContact CG-O 3.49Å
234	V	98.6	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.9	177.1	-177.8	0	0	0	0	109.2	W221 T223 E248 Y249 M252 F255	W221-V234 HydrophobicContact CE3-CG1 3.86Å; W221-V234 HydrophobicContact CZ3-CG1 4.39Å; T223-V234 HydrophobicContact CG2-CG2 4.03Å; V234-E248 WeakPolarHBondContact O-CA 3.28Å; V234-Y249 PolarHBondContact N-O 3.32Å; V234-Y249 PolarHBondContact O-N 2.94Å; V234-M252 HydrophobicContact CG2-CB 4.4Å; V234-M252 HydrophobicContact CG2-CE 4.05Å; V234-M252 HydrophobicContact CG2-SD 4.09Å; V234-F255 HydrophobicContact CB-CB 4.25Å; V234-F255 HydrophobicContact CB-CG 4.29Å; V234-F255 HydrophobicContact CG1-CD1 4.13Å; V234-F255 HydrophobicContact CG1-CD2 4.18Å; V234-F255 HydrophobicContact CG1-CE1 4.42Å; V234-F255 HydrophobicContact CG1-CE2 4.45Å; V234-F255 HydrophobicContact CG1-CG 4.01Å; V234-F255 HydrophobicContact CG2-CB 4.11Å; V234-F255 HydrophobicContact CG2-CG 4.4Å
235	W	98.8	Very high	94.1	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.027	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.6	176.1	-61.5	95.2	0	0	0	109.9	W221 M222 M237 V246 R247 E248 H264 V277 F297	W221-W235 CarbonylContact C-O 3.6Å; W221-W235 WeakPolarHBondContact CA-O 3.45Å; M222-W235 HydrophobicContact CG-CB 4.18Å; M222-W235 PolarHBondContact N-O 3.47Å; M222-W235 PolarHBondContact O-N 2.64Å; W235-M237 HydrophobicContact CB-CE 4.26Å; W235-V246 HydrophobicContact CE3-CG1 3.63Å; W235-V246 HydrophobicContact CZ3-CG1 4.28Å; W235-R247 CarbonylContact C-O 3.59Å; W235-R247 WeakPolarHBondContact CA-O 3.32Å; W235-E248 HydrophobicContact CE3-CB 3.94Å; W235-E248 HydrophobicContact CE3-CG 4.32Å; W235-E248 HydrophobicContact CH2-CB 4.02Å; W235-E248 HydrophobicContact CH2-CG 3.83Å; W235-E248 HydrophobicContact CZ2-CG 4.09Å; W235-E248 HydrophobicContact CZ3-CB 3.64Å; W235-E248 HydrophobicContact CZ3-CG 3.97Å; W235-H264 AromaticContact CH2-NE2 3.74Å; W235-H264 AromaticContact CZ3-CD2 3.44Å; W235-H264 VanDerWaalsContact CZ3-CD2 3.44Å; W235-H264 WeakPolarHBondContact CZ3-CD2 3.15Å; W235-H264 AromaticContact CZ3-NE2 3.66Å; W235-V277 HydrophobicContact CB-CG2 3.86Å; W235-V277 HydrophobicContact CD2-CG2 4.22Å; W235-V277 HydrophobicContact CG-CB 4.37Å; W235-V277 HydrophobicContact CG-CG1 4.43Å; W235-V277 HydrophobicContact CG-CG2 3.66Å; W235-F297 AromaticContact CD2-CE2 3.93Å; W235-F297 HydrophobicContact CD2-CE2 3.93Å; W235-F297 HydrophobicContact CD2-CZ 4.01Å; W235-F297 AromaticContact CE2-CE2 3.87Å; W235-F297 HydrophobicContact CE3-CD1 4.47Å; W235-F297 HydrophobicContact CE3-CD2 4.48Å; W235-F297 AromaticContact CE3-CE1 3.84Å; W235-F297 HydrophobicContact CE3-CE1 3.84Å; W235-F297 AromaticContact CE3-CE2 3.83Å; W235-F297 HydrophobicContact CE3-CE2 3.83Å; W235-F297 AromaticContact CE3-CZ 3.47Å; W235-F297 HydrophobicContact CE3-CZ 3.47Å; W235-F297 VanDerWaalsContact CE3-CZ 3.47Å; W235-F297 HydrophobicContact CH2-CB 3.96Å; W235-F297 AromaticContact CH2-CD1 3.49Å; W235-F297 HydrophobicContact CH2-CD1 3.49Å; W235-F297 VanDerWaalsContact CH2-CD1 3.49Å; W235-F297 AromaticContact CH2-CD2 3.43Å; W235-F297 HydrophobicContact CH2-CD2 3.43Å; W235-F297 VanDerWaalsContact CH2-CD2 3.43Å; W235-F297 AromaticContact CH2-CE1 3.72Å; W235-F297 HydrophobicContact CH2-CE1 3.72Å; W235-F297 AromaticContact CH2-CE2 3.63Å; W235-F297 HydrophobicContact CH2-CE2 3.63Å; W235-F297 AromaticContact CH2-CG 3.34Å; W235-F297 HydrophobicContact CH2-CG 3.34Å; W235-F297 AromaticContact CH2-CZ 3.77Å; W235-F297 HydrophobicContact CH2-CZ 3.77Å; W235-F297 HydrophobicContact CZ2-CB 4.48Å; W235-F297 HydrophobicContact CZ2-CD1 4.44Å; W235-F297 AromaticContact CZ2-CD2 3.56Å; W235-F297 HydrophobicContact CZ2-CD2 3.56Å; W235-F297 AromaticContact CZ2-CE2 3.75Å; W235-F297 HydrophobicContact CZ2-CE2 3.75Å; W235-F297 AromaticContact CZ2-CG 3.93Å; W235-F297 HydrophobicContact CZ2-CG 3.93Å; W235-F297 HydrophobicContact CZ2-CZ 4.28Å; W235-F297 AromaticContact CZ3-CD1 3.49Å; W235-F297 HydrophobicContact CZ3-CD1 3.49Å; W235-F297 VanDerWaalsContact CZ3-CD1 3.49Å; W235-F297 AromaticContact CZ3-CD2 3.91Å; W235-F297 HydrophobicContact CZ3-CD2 3.91Å; W235-F297 AromaticContact CZ3-CE1 3.23Å; W235-F297 HydrophobicContact CZ3-CE1 3.23Å; W235-F297 AromaticContact CZ3-CE2 3.66Å; W235-F297 HydrophobicContact CZ3-CE2 3.66Å; W235-F297 AromaticContact CZ3-CG 3.83Å; W235-F297 HydrophobicContact CZ3-CG 3.83Å; W235-F297 AromaticContact CZ3-CZ 3.31Å; W235-F297 HydrophobicContact CZ3-CZ 3.31Å
236	Y	98.8	Very high	94.3	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	127.6	-171.1	173.3	-78.8	0	0	0	111	S214 G215 W221 D238 R247 Y249 F255 W436 Q441	S214-Y236 PolarHBondContact O-OH 2.9Å; S214-Y236 PolarHBondContact OG-OH 3.17Å; G215-Y236 WeakPolarHBondContact CA-OH 3.22Å; G215-Y236 PolarHBondContact N-OH 2.84Å; W221-Y236 HydrophobicContact CB-CD2 4.19Å; Y236-D238 HydrophobicContact CE1-CB 3.83Å; Y236-R247 HydrophobicContact CD1-CB 4.11Å; Y236-R247 HydrophobicContact CD1-CG 4.12Å; Y236-R247 PolarHBondContact N-O 3.04Å; Y236-R247 PolarHBondContact O-N 2.94Å; Y236-Y249 HydrophobicContact CG-CE2 4.25Å; Y236-F255 AromaticContact CD2-CE2 3.78Å; Y236-F255 HydrophobicContact CD2-CE2 3.78Å; Y236-F255 HydrophobicContact CD2-CZ 4.1Å; Y236-F255 HydrophobicContact CE2-CE2 4.34Å; Y236-W436 HydrophobicContact CD2-CH2 4.36Å; Y236-W436 AromaticContact CD2-CZ3 3.84Å; Y236-W436 HydrophobicContact CD2-CZ3 3.84Å; Y236-W436 HydrophobicContact CE1-CH2 4.16Å; Y236-W436 HydrophobicContact CE1-CZ3 4.46Å; Y236-W436 HydrophobicContact CE2-CE3 4.47Å; Y236-W436 AromaticContact CE2-CH2 3.46Å; Y236-W436 HydrophobicContact CE2-CH2 3.46Å; Y236-W436 VanDerWaalsContact CE2-CH2 3.46Å; Y236-W436 AromaticContact CE2-CZ3 3.33Å; Y236-W436 HydrophobicContact CE2-CZ3 3.33Å; Y236-W436 AromaticContact CZ-CH2 3.34Å; Y236-W436 AromaticContact CZ-CZ3 3.69Å; Y236-W436 WeakPolarHBondContact OH-CH2 3.41Å; Y236-Q441 HydrophobicContact CE2-CG 4.31Å
237	M	98.7	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	105.2	-176.5	-70.3	129.5	-65.8	0	0	109.5	G219 S220 M222 W235 V246 W270 Q275 I282	G219-M237 CarbonylContact C-O 3.59Å; G219-M237 WeakPolarHBondContact CA-O 3.34Å; S220-M237 PolarHBondContact N-O 3.01Å; S220-M237 PolarHBondContact O-N 3.06Å; M222-M237 HydrophobicContact CE-CE 3.64Å; M222-M237 HydrophobicContact CE-SD 4.47Å; M222-M237 HydrophobicContact CG-CE 4.33Å; M222-M237 HydrophobicContact SD-CE 4.01Å; W235-M237 HydrophobicContact CB-CE 4.26Å; M237-V246 HydrophobicContact CG-CB 4.37Å; M237-V246 HydrophobicContact CG-CG1 4.01Å; M237-V246 HydrophobicContact CG-CG2 3.92Å; M237-V246 HydrophobicContact SD-CG1 4.32Å; M237-W270 HydrophobicContact CB-CH2 3.95Å; M237-W270 HydrophobicContact CB-CZ2 3.74Å; M237-W270 HydrophobicContact CG-CH2 4.03Å; M237-W270 HydrophobicContact CG-CZ2 4.27Å; M237-W270 HydrophobicContact CG-CZ3 4.32Å; M237-Q275 HydrophobicContact SD-CB 3.87Å; M237-Q275 HydrophobicContact SD-CG 4.05Å; M237-I282 HydrophobicContact SD-CD1 3.62Å
238	D	98.4	Very high	94.9	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.16	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.7	-179.9	-164.5	0.4	0	0	0	111.6	G215 S216 Y236 N243 W270 W436	G215-D238 WeakPolarHBondContact CA-OD2 3.5Å; S216-D238 WeakPolarHBondContact CB-OD1 3.4Å; S216-D238 PolarHBondContact N-OD1 3.43Å; S216-D238 PolarHBondContact N-OD2 2.72Å; S216-D238 PolarHBondContact OG-OD1 3.25Å; Y236-D238 HydrophobicContact CE1-CB 3.83Å; D238-N243 PolarHBondContact O-ND2 3.27Å; D238-W270 WeakPolarHBondContact O-CZ2 3.46Å; D238-W436 HydrophobicContact CB-CH2 4.46Å
239	G	98	Very high	95.5	Very high	15 Å²	15	50 Å²	50	16%	0.155	26%	0.255	C	S	.	.			trans	77.5	165.5	179.5	0	0	0	0	0	114.1	F218 W270	F218-G239 VanDerWaalsContact O-CA 3.23Å; F218-G239 WeakPolarHBondContact O-CA 3.49Å; F218-G239 PolarHBondContact O-N 3.06Å; G239-W270 PolarHBondContact O-NE1 2.92Å
240	Y	97.6	Very high	96.3	Very high	68 Å²	68	49.7 Å²	49.7	27%	0.267	25%	0.25	S	S	.	.	S	Bend	trans	-109.7	-3.5	-178.8	67.3	-97.7	0	0	0	113.7	F218 S271 G272 W321 G323	F218-Y240 HydrophobicContact CB-CD1 3.78Å; F218-Y240 AromaticContact CD2-CD1 3.66Å; F218-Y240 HydrophobicContact CD2-CD1 3.66Å; F218-Y240 AromaticContact CD2-CE1 3.51Å; F218-Y240 HydrophobicContact CD2-CE1 3.51Å; F218-Y240 HydrophobicContact CE2-CD1 4.38Å; F218-Y240 AromaticContact CE2-CE1 3.8Å; F218-Y240 HydrophobicContact CE2-CE1 3.8Å; F218-Y240 AromaticContact CG-CD1 3.77Å; F218-Y240 HydrophobicContact CG-CD1 3.77Å; F218-Y240 HydrophobicContact CG-CE1 4.03Å; Y240-S271 CarbonylContact O-C 3.58Å; Y240-G272 WeakPolarHBondContact CA-O 3.38Å; Y240-G272 PolarHBondContact O-N 2.84Å; Y240-W321 HydrophobicContact CD1-CZ3 4.21Å; Y240-W321 HydrophobicContact CG-CZ3 4.43Å; Y240-G323 WeakPolarHBondContact CB-O 3.35Å; Y240-G323 VanDerWaalsContact CD2-C 3.42Å; Y240-G323 VanDerWaalsContact CD2-CA 3.47Å; Y240-G323 WeakPolarHBondContact CD2-O 3.25Å
241	H	94.4	Very high	96.9	Very high	87 Å²	87	47.2 Å²	47.2	40%	0.403	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-139.3	121.9	-164.9	-177.7	-82.7	0	0	0	112.8	N243 F287 H324	H241-N243 PolarHBondContact O-N 2.76Å; H241-F287 AromaticContact CD2-CE2 3.54Å; H241-F287 AromaticContact CD2-CZ 3.98Å; H241-F287 AromaticContact CE1-CZ 3.93Å; H241-F287 AromaticContact NE2-CE2 3.52Å; H241-F287 AromaticContact NE2-CZ 3.43Å; H241-F287 WeakPolarHBondContact NE2-CZ 3.44Å; H241-H324 AromaticContact CD2-CE1 3.69Å; H241-H324 AromaticContact CD2-NE2 3.95Å
242	N	90.1	Very high	97.1	Very high	84 Å²	84	47.6 Å²	47.6	45%	0.449	22%	0.223	S	C	.	.	S	Bend	trans	55.8	16.7	171.4	-164.1	29.9	0	0	0	115.6
243	N	95.8	Very high	97.2	Very high	42 Å²	42	49.9 Å²	49.9	23%	0.225	23%	0.228	C	C	.	.			trans	-89.3	148.9	165.4	-169.6	9.3	0	0	0	109.6	D238 H241 F245 P269 W270	D238-N243 PolarHBondContact O-ND2 3.27Å; H241-N243 PolarHBondContact O-N 2.76Å; N243-F245 PolarHBondContact OD1-N 3.06Å; N243-P269 VanDerWaalsContact O-CA 3.23Å; N243-P269 WeakPolarHBondContact O-CA 3.4Å; N243-P269 WeakPolarHBondContact O-CB 3.36Å; N243-W270 HydrophobicContact CB-CH2 3.81Å; N243-W270 HydrophobicContact CB-CZ2 3.57Å; N243-W270 WeakPolarHBondContact ND2-CH2 3.45Å; N243-W270 PolarHBondContact O-N 2.83Å
244	R	98	Very high	97.2	Very high	71 Å²	71	48.1 Å²	48.1	27%	0.268	23%	0.225	S	C	.	.			trans	-140.2	13.3	-179.9	70.2	-172.1	74.4	157.1	3.7	112.8	R265 L266 P269	R244-R265 HydrophobicContact CG-CG 4.28Å; R244-R265 CarbonylContact O-C 3.59Å; R244-R265 WeakPolarHBondContact O-CA 3.32Å; R244-L266 HydrophobicContact CB-CB 4.33Å; R244-L266 PolarHBondContact O-N 3.42Å; R244-P269 HydrophobicContact CB-CB 4.41Å
245	F	98.6	Very high	97.1	Very high	96 Å²	96	48.1 Å²	48.1	42%	0.421	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.6	-179.9	-66.9	-81.2	0	0	0	110	N243 H264 R265 W270	N243-F245 PolarHBondContact OD1-N 3.06Å; F245-H264 WeakPolarHBondContact CA-O 3.42Å; F245-R265 HydrophobicContact CD1-CB 4.05Å; F245-R265 HydrophobicContact CD1-CG 4.18Å; F245-R265 HydrophobicContact CE1-CB 3.86Å; F245-R265 HydrophobicContact CE1-CG 3.73Å; F245-R265 HydrophobicContact CZ-CG 4.18Å; F245-W270 WeakPolarHBondContact O-CH2 3.19Å
246	V	98.8	Very high	97.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.5	172.6	-174.6	0	0	0	0	107.8	W235 M237 S263 H264 L266 W270 I282 F297	W235-V246 HydrophobicContact CE3-CG1 3.63Å; W235-V246 HydrophobicContact CZ3-CG1 4.28Å; M237-V246 HydrophobicContact CG-CB 4.37Å; M237-V246 HydrophobicContact CG-CG1 4.01Å; M237-V246 HydrophobicContact CG-CG2 3.92Å; M237-V246 HydrophobicContact SD-CG1 4.32Å; V246-S263 CarbonylContact O-C 3.55Å; V246-S263 WeakPolarHBondContact O-CA 3.09Å; V246-H264 HydrophobicContact CB-CB 4.34Å; V246-H264 PolarHBondContact N-O 2.92Å; V246-H264 PolarHBondContact O-N 2.76Å; V246-L266 HydrophobicContact CG2-CD1 3.73Å; V246-L266 HydrophobicContact CG2-CD2 4.21Å; V246-L266 HydrophobicContact CG2-CG 3.89Å; V246-W270 HydrophobicContact CG2-CZ3 4.12Å; V246-I282 HydrophobicContact CG2-CD1 3.93Å; V246-F297 HydrophobicContact CG1-CE1 4.42Å; V246-F297 HydrophobicContact CG1-CZ 4.26Å
247	R	98.7	Very high	96.9	Very high	73 Å²	73	56.7 Å²	56.7	28%	0.275	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.6	173.1	-57.2	-177.2	-170.9	172.2	4.2	109.5	W235 Y236 Y249 F261 T262	W235-R247 CarbonylContact C-O 3.59Å; W235-R247 WeakPolarHBondContact CA-O 3.32Å; Y236-R247 HydrophobicContact CD1-CB 4.11Å; Y236-R247 HydrophobicContact CD1-CG 4.12Å; Y236-R247 PolarHBondContact N-O 3.04Å; Y236-R247 PolarHBondContact O-N 2.94Å; R247-Y249 HydrophobicContact CB-CE2 4.02Å; R247-F261 HydrophobicContact CB-CB 4.15Å; R247-F261 HydrophobicContact CB-CD2 3.96Å; R247-F261 HydrophobicContact CB-CG 4.02Å; R247-F261 HydrophobicContact CG-CD2 3.72Å; R247-F261 HydrophobicContact CG-CE2 3.89Å; R247-F261 HydrophobicContact CG-CG 4.11Å; R247-F261 HydrophobicContact CG-CZ 4.41Å; R247-T262 CarbonylContact C-O 3.54Å; R247-T262 WeakPolarHBondContact CA-O 3.29Å
248	E	98.5	Very high	96.7	Very high	29 Å²	29	58 Å²	58	14%	0.136	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.7	173.7	-179.3	-171.3	-171.7	0	0	108.3	R233 V234 W235 F261 T262 H264	R233-E248 WeakPolarHBondContact CD-OE1 3.35Å; R233-E248 IonicContact CZ-OE1 2.76Å; R233-E248 IonicContact NE-OE1 2.69Å; R233-E248 IonicContact NH1-OE1 2.89Å; R233-E248 PolarHBondContact NH1-OE1 2.86Å; V234-E248 WeakPolarHBondContact O-CA 3.28Å; W235-E248 HydrophobicContact CE3-CB 3.94Å; W235-E248 HydrophobicContact CE3-CG 4.32Å; W235-E248 HydrophobicContact CH2-CB 4.02Å; W235-E248 HydrophobicContact CH2-CG 3.83Å; W235-E248 HydrophobicContact CZ2-CG 4.09Å; W235-E248 HydrophobicContact CZ3-CB 3.64Å; W235-E248 HydrophobicContact CZ3-CG 3.97Å; E248-F261 CarbonylContact O-C 3.56Å; E248-F261 VanDerWaalsContact O-CA 3.3Å; E248-F261 WeakPolarHBondContact O-CA 3.3Å; E248-F261 WeakPolarHBondContact O-CB 3.4Å; E248-T262 PolarHBondContact N-O 2.84Å; E248-T262 PolarHBondContact O-N 3.42Å; E248-H264 IonicContact OE2-CD2 3.72Å; E248-H264 IonicContact OE2-CE1 3.53Å; E248-H264 IonicContact OE2-NE2 2.67Å; E248-H264 PolarHBondContact OE2-NE2 2.92Å
249	Y	98.4	Very high	96.5	Very high	1 Å²	1	62 Å²	62	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.3	168.9	-62	-99.1	0	0	0	108.6	R233 V234 Y236 R247 S251 F255 N260 F261	R233-Y249 VanDerWaalsContact CA-O 3.25Å; R233-Y249 WeakPolarHBondContact CA-O 3.34Å; V234-Y249 PolarHBondContact N-O 3.32Å; V234-Y249 PolarHBondContact O-N 2.94Å; Y236-Y249 HydrophobicContact CG-CE2 4.25Å; R247-Y249 HydrophobicContact CB-CE2 4.02Å; Y249-S251 VanDerWaalsContact C-N 3.28Å; Y249-S251 PolarHBondContact O-N 3.09Å; Y249-F255 HydrophobicContact CD1-CB 4.26Å; Y249-F255 HydrophobicContact CD1-CD2 4.04Å; Y249-F255 AromaticContact CD2-CD2 3.51Å; Y249-F255 HydrophobicContact CD2-CD2 3.51Å; Y249-F255 HydrophobicContact CD2-CE2 4.18Å; Y249-F255 HydrophobicContact CD2-CG 4.43Å; Y249-F255 HydrophobicContact CE1-CD2 4.05Å; Y249-F255 AromaticContact CE2-CD2 3.52Å; Y249-F255 HydrophobicContact CE2-CD2 3.52Å; Y249-F255 AromaticContact CE2-CE2 3.82Å; Y249-F255 HydrophobicContact CE2-CE2 3.82Å; Y249-F255 HydrophobicContact CG-CB 4.03Å; Y249-F255 AromaticContact CG-CD2 3.77Å; Y249-F255 HydrophobicContact CG-CD2 3.77Å; Y249-F255 HydrophobicContact CG-CG 4.39Å; Y249-F255 AromaticContact CZ-CD2 3.79Å; Y249-N260 WeakPolarHBondContact CD1-O 3.49Å; Y249-F261 HydrophobicContact CD1-CB 4.02Å; Y249-F261 HydrophobicContact CD2-CB 4.34Å; Y249-F261 HydrophobicContact CE1-CB 3.88Å; Y249-F261 AromaticContact CE1-CD1 4Å; Y249-F261 HydrophobicContact CE1-CD1 4Å; Y249-F261 HydrophobicContact CE1-CG 4.41Å; Y249-F261 HydrophobicContact CE2-CB 4.2Å; Y249-F261 HydrophobicContact CG-CB 4.26Å; Y249-F261 AromaticContact CZ-CD1 3.88Å
250	K	96.6	Very high	96.3	Very high	167 Å²	167	67.6 Å²	67.6	73%	0.726	33%	0.33	S	S	*	.	S	Bend	trans	-63.8	-32.6	-174.1	-179.5	-175.6	179.5	-173.3	0	113.2	R233 D254	R233-K250 WeakPolarHBondContact CG-O 3.49Å; K250-D254 WeakPolarHBondContact CB-OD2 3.34Å
251	S	96.1	Very high	96.4	Very high	20 Å²	20	68.3 Å²	68.3	14%	0.14	33%	0.334	C	S	.	.	S	Bend	trans	-152	164.9	179.6	67.7	0	0	0	0	111.6	T232 Y249 H253 D254 F255	T232-S251 CarbonylContact O-C 3.6Å; T232-S251 VanDerWaalsContact O-CA 3.3Å; T232-S251 WeakPolarHBondContact O-CA 3.47Å; T232-S251 WeakPolarHBondContact OG1-CB 3.46Å; Y249-S251 VanDerWaalsContact C-N 3.28Å; Y249-S251 PolarHBondContact O-N 3.09Å; S251-H253 PolarHBondContact O-N 2.82Å; S251-H253 PolarHBondContact OG-N 3.02Å; S251-D254 PolarHBondContact O-N 3.2Å; S251-D254 PolarHBondContact OG-N 2.99Å; S251-D254 VanDerWaalsContact OG-N 3.07Å; S251-D254 PolarHBondContact OG-OD2 2.82Å; S251-F255 PolarHBondContact O-N 3.44Å
252	M	95.3	Very high	96.5	Very high	47 Å²	47	68.2 Å²	68.2	23%	0.232	34%	0.34	C	S	.	.	H	α-helix	trans	-57.3	-37.6	169.6	-173.2	63.8	73.2	0	0	112.1	I211 W221 T223 T232 V234 F255 M256 Y434	I211-M252 HydrophobicContact CG2-SD 3.74Å; W221-M252 HydrophobicContact CH2-CE 4.44Å; W221-M252 HydrophobicContact CZ3-CE 3.95Å; W221-M252 HydrophobicContact CZ3-SD 4.09Å; T223-M252 HydrophobicContact CG2-CE 4.19Å; T232-M252 PolarHBondContact O-N 2.98Å; V234-M252 HydrophobicContact CG2-CB 4.4Å; V234-M252 HydrophobicContact CG2-CE 4.05Å; V234-M252 HydrophobicContact CG2-SD 4.09Å; M252-F255 WeakPolarHBondContact O-CB 3.46Å; M252-F255 PolarHBondContact O-N 3.13Å; M252-F255 HydrophobicContact SD-CD1 4.12Å; M252-M256 HydrophobicContact CG-SD 4.28Å; M252-M256 VanDerWaalsContact O-CG 3.28Å; M252-M256 WeakPolarHBondContact O-CG 3.27Å; M252-M256 PolarHBondContact O-N 3.18Å; M252-Y434 HydrophobicContact CE-CE1 4.34Å
253	H	95.8	Very high	96.9	Very high	125 Å²	125	67 Å²	67	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-63.8	-46	177.3	-179.7	73.8	0	0	0	112	S251 F255 M256 T257	S251-H253 PolarHBondContact O-N 2.82Å; S251-H253 PolarHBondContact OG-N 3.02Å; H253-F255 VanDerWaalsContact C-N 3.3Å; H253-F255 PolarHBondContact O-N 2.75Å; H253-M256 PolarHBondContact O-N 2.94Å; H253-T257 PolarHBondContact O-N 3.09Å; H253-T257 PolarHBondContact O-OG1 2.82Å
254	D	97	Very high	97	Very high	48 Å²	48	66.4 Å²	66.4	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-65.2	-36.9	178	-63.7	-41.6	0	0	0	111.2	K250 S251 S258	K250-D254 WeakPolarHBondContact CB-OD2 3.34Å; S251-D254 PolarHBondContact O-N 3.2Å; S251-D254 PolarHBondContact OG-N 2.99Å; S251-D254 VanDerWaalsContact OG-N 3.07Å; S251-D254 PolarHBondContact OG-OD2 2.82Å; D254-S258 WeakPolarHBondContact O-CA 3.35Å; D254-S258 WeakPolarHBondContact O-CB 3.5Å; D254-S258 PolarHBondContact O-N 3.42Å; D254-S258 PolarHBondContact O-OG 3.02Å
255	F	98.1	Very high	97	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-47.6	173.5	178.1	-117.6	0	0	0	111.6	I211 K212 W221 V234 Y236 Y249 S251 M252 H253 Q441	I211-F255 HydrophobicContact CG2-CD1 3.8Å; I211-F255 HydrophobicContact CG2-CE1 3.8Å; K212-F255 HydrophobicContact CB-CD1 4.42Å; K212-F255 HydrophobicContact CB-CE1 3.75Å; K212-F255 HydrophobicContact CB-CE2 4.47Å; K212-F255 HydrophobicContact CB-CZ 3.78Å; K212-F255 HydrophobicContact CD-CD1 4.48Å; K212-F255 HydrophobicContact CD-CD2 3.78Å; K212-F255 HydrophobicContact CD-CE1 4.14Å; K212-F255 HydrophobicContact CD-CE2 3.38Å; K212-F255 HydrophobicContact CD-CG 4.31Å; K212-F255 HydrophobicContact CD-CZ 3.57Å; K212-F255 VanDerWaalsContact CD-O 3.22Å; K212-F255 WeakPolarHBondContact CD-O 3.31Å; K212-F255 WeakPolarHBondContact CE-O 3.3Å; K212-F255 HydrophobicContact CG-CZ 4.3Å; K212-F255 PolarHBondContact NZ-O 3.37Å; W221-F255 HydrophobicContact CD2-CE1 4.41Å; W221-F255 HydrophobicContact CE3-CD1 4.36Å; W221-F255 AromaticContact CE3-CE1 3.66Å; W221-F255 HydrophobicContact CE3-CE1 3.66Å; W221-F255 HydrophobicContact CE3-CZ 4.1Å; W221-F255 HydrophobicContact CZ3-CD1 4.25Å; W221-F255 AromaticContact CZ3-CE1 3.79Å; W221-F255 HydrophobicContact CZ3-CE1 3.79Å; V234-F255 HydrophobicContact CB-CB 4.25Å; V234-F255 HydrophobicContact CB-CG 4.29Å; V234-F255 HydrophobicContact CG1-CD1 4.13Å; V234-F255 HydrophobicContact CG1-CD2 4.18Å; V234-F255 HydrophobicContact CG1-CE1 4.42Å; V234-F255 HydrophobicContact CG1-CE2 4.45Å; V234-F255 HydrophobicContact CG1-CG 4.01Å; V234-F255 HydrophobicContact CG2-CB 4.11Å; V234-F255 HydrophobicContact CG2-CG 4.4Å; Y236-F255 AromaticContact CD2-CE2 3.78Å; Y236-F255 HydrophobicContact CD2-CE2 3.78Å; Y236-F255 HydrophobicContact CD2-CZ 4.1Å; Y236-F255 HydrophobicContact CE2-CE2 4.34Å; Y249-F255 HydrophobicContact CD1-CB 4.26Å; Y249-F255 HydrophobicContact CD1-CD2 4.04Å; Y249-F255 AromaticContact CD2-CD2 3.51Å; Y249-F255 HydrophobicContact CD2-CD2 3.51Å; Y249-F255 HydrophobicContact CD2-CE2 4.18Å; Y249-F255 HydrophobicContact CD2-CG 4.43Å; Y249-F255 HydrophobicContact CE1-CD2 4.05Å; Y249-F255 AromaticContact CE2-CD2 3.52Å; Y249-F255 HydrophobicContact CE2-CD2 3.52Å; Y249-F255 AromaticContact CE2-CE2 3.82Å; Y249-F255 HydrophobicContact CE2-CE2 3.82Å; Y249-F255 HydrophobicContact CG-CB 4.03Å; Y249-F255 AromaticContact CG-CD2 3.77Å; Y249-F255 HydrophobicContact CG-CD2 3.77Å; Y249-F255 HydrophobicContact CG-CG 4.39Å; Y249-F255 AromaticContact CZ-CD2 3.79Å; S251-F255 PolarHBondContact O-N 3.44Å; M252-F255 WeakPolarHBondContact O-CB 3.46Å; M252-F255 PolarHBondContact O-N 3.13Å; M252-F255 HydrophobicContact SD-CD1 4.12Å; H253-F255 VanDerWaalsContact C-N 3.3Å; H253-F255 PolarHBondContact O-N 2.75Å; F255-Q441 HydrophobicContact CE1-CB 4.13Å; F255-Q441 HydrophobicContact CE1-CG 4.43Å; F255-Q441 HydrophobicContact CZ-CB 4.04Å; F255-Q441 HydrophobicContact CZ-CG 3.85Å
256	M	96.8	Very high	97	Very high	95 Å²	95	65.7 Å²	65.7	47%	0.468	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-40.8	-178.9	-70	175.5	71.8	0	0	113.3	I211 M252 H253	I211-M256 HydrophobicContact CG2-CG 3.56Å; I211-M256 HydrophobicContact CG2-SD 4.2Å; M252-M256 HydrophobicContact CG-SD 4.28Å; M252-M256 VanDerWaalsContact O-CG 3.28Å; M252-M256 WeakPolarHBondContact O-CG 3.27Å; M252-M256 PolarHBondContact O-N 3.18Å; H253-M256 PolarHBondContact O-N 2.94Å
257	T	95.6	Very high	96.9	Very high	92 Å²	92	68.3 Å²	68.3	56%	0.564	35%	0.346	S	S	*	.	H	α-helix	trans	-104.7	-17.4	-165.3	59.7	0	0	0	0	114.7	H253	H253-T257 PolarHBondContact O-N 3.09Å; H253-T257 PolarHBondContact O-OG1 2.82Å
258	S	94.1	Very high	96.9	Very high	27 Å²	27	68 Å²	68	19%	0.189	35%	0.347	C	S	.	.			trans	-131	168.8	-174.5	85.3	0	0	0	0	112.2	K212 D254 N260	K212-S258 PolarHBondContact NZ-O 2.87Å; D254-S258 WeakPolarHBondContact O-CA 3.35Å; D254-S258 WeakPolarHBondContact O-CB 3.5Å; D254-S258 PolarHBondContact O-N 3.42Å; D254-S258 PolarHBondContact O-OG 3.02Å; S258-N260 PolarHBondContact OG-N 3Å
259	D	93.8	Very high	96.9	Very high	115 Å²	115	67.3 Å²	67.3	62%	0.615	35%	0.345	S	S	*	.			trans	-111.8	19.9	168.2	-63.2	-36.7	0	0	0	111.4	K212 F261	K212-D259 IonicContact NZ-OD1 2.97Å; K212-D259 PolarHBondContact NZ-OD1 3.13Å; D259-F261 WeakPolarHBondContact O-CD1 3.21Å; D259-F261 WeakPolarHBondContact O-CE1 3.36Å; D259-F261 PolarHBondContact O-N 2.96Å
260	N	95.6	Very high	96.9	Very high	132 Å²	132	67.3 Å²	67.3	71%	0.706	35%	0.345	S	S	*	.			trans	-80.8	113.6	176.6	-73.1	-12.5	0	0	0	109.7	Y249 S258	Y249-N260 WeakPolarHBondContact CD1-O 3.49Å; S258-N260 PolarHBondContact OG-N 3Å
261	F	97.8	Very high	97	Very high	84 Å²	84	59.4 Å²	59.4	37%	0.368	31%	0.311	S	S	.	.			trans	-141.5	154.9	177.4	56.8	-98.2	0	0	0	111.8	R247 E248 Y249 D259	R247-F261 HydrophobicContact CB-CB 4.15Å; R247-F261 HydrophobicContact CB-CD2 3.96Å; R247-F261 HydrophobicContact CB-CG 4.02Å; R247-F261 HydrophobicContact CG-CD2 3.72Å; R247-F261 HydrophobicContact CG-CE2 3.89Å; R247-F261 HydrophobicContact CG-CG 4.11Å; R247-F261 HydrophobicContact CG-CZ 4.41Å; E248-F261 CarbonylContact O-C 3.56Å; E248-F261 VanDerWaalsContact O-CA 3.3Å; E248-F261 WeakPolarHBondContact O-CA 3.3Å; E248-F261 WeakPolarHBondContact O-CB 3.4Å; Y249-F261 HydrophobicContact CD1-CB 4.02Å; Y249-F261 HydrophobicContact CD2-CB 4.34Å; Y249-F261 HydrophobicContact CE1-CB 3.88Å; Y249-F261 AromaticContact CE1-CD1 4Å; Y249-F261 HydrophobicContact CE1-CD1 4Å; Y249-F261 HydrophobicContact CE1-CG 4.41Å; Y249-F261 HydrophobicContact CE2-CB 4.2Å; Y249-F261 HydrophobicContact CG-CB 4.26Å; Y249-F261 AromaticContact CZ-CD1 3.88Å; D259-F261 WeakPolarHBondContact O-CD1 3.21Å; D259-F261 WeakPolarHBondContact O-CE1 3.36Å; D259-F261 PolarHBondContact O-N 2.96Å
262	T	97.8	Very high	97.1	Very high	84 Å²	84	58.5 Å²	58.5	52%	0.515	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.9	164.3	-57.9	0	0	0	0	108.8	R247 E248	R247-T262 CarbonylContact C-O 3.54Å; R247-T262 WeakPolarHBondContact CA-O 3.29Å; E248-T262 PolarHBondContact N-O 2.84Å; E248-T262 PolarHBondContact O-N 3.42Å
263	S	97.8	Very high	97.3	Very high	60 Å²	60	56.3 Å²	56.3	42%	0.42	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.1	176.8	-171.6	0	0	0	0	111.8	V246	V246-S263 CarbonylContact O-C 3.55Å; V246-S263 WeakPolarHBondContact O-CA 3.09Å
264	H	98.1	Very high	97.4	Very high	28 Å²	28	50.6 Å²	50.6	13%	0.13	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.2	173	-64	-89.9	0	0	0	110.1	W235 F245 V246 E248 F297	W235-H264 AromaticContact CH2-NE2 3.74Å; W235-H264 AromaticContact CZ3-CD2 3.44Å; W235-H264 VanDerWaalsContact CZ3-CD2 3.44Å; W235-H264 WeakPolarHBondContact CZ3-CD2 3.15Å; W235-H264 AromaticContact CZ3-NE2 3.66Å; F245-H264 WeakPolarHBondContact CA-O 3.42Å; V246-H264 HydrophobicContact CB-CB 4.34Å; V246-H264 PolarHBondContact N-O 2.92Å; V246-H264 PolarHBondContact O-N 2.76Å; E248-H264 IonicContact OE2-CD2 3.72Å; E248-H264 IonicContact OE2-CE1 3.53Å; E248-H264 IonicContact OE2-NE2 2.67Å; E248-H264 PolarHBondContact OE2-NE2 2.92Å; H264-F297 HydrophobicContact CB-CD1 4.16Å; H264-F297 HydrophobicContact CB-CE1 4.03Å; H264-F297 AromaticContact CG-CD1 3.81Å; H264-F297 AromaticContact ND1-CD1 3.8Å
265	R	98.1	Very high	97.5	Very high	152 Å²	152	48.3 Å²	48.3	57%	0.574	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.3	177.9	-173.1	177.8	-177.1	-96.4	7.2	110.3	R244 F245	R244-R265 HydrophobicContact CG-CG 4.28Å; R244-R265 CarbonylContact O-C 3.59Å; R244-R265 WeakPolarHBondContact O-CA 3.32Å; F245-R265 HydrophobicContact CD1-CB 4.05Å; F245-R265 HydrophobicContact CD1-CG 4.18Å; F245-R265 HydrophobicContact CE1-CB 3.86Å; F245-R265 HydrophobicContact CE1-CG 3.73Å; F245-R265 HydrophobicContact CZ-CG 4.18Å
266	L	98.4	Very high	97.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.			trans	-69.1	146.6	174.2	-58.4	-179.9	0	0	0	111.1	R244 V246 H268 W270 I282 F284 F295	R244-L266 HydrophobicContact CB-CB 4.33Å; R244-L266 PolarHBondContact O-N 3.42Å; V246-L266 HydrophobicContact CG2-CD1 3.73Å; V246-L266 HydrophobicContact CG2-CD2 4.21Å; V246-L266 HydrophobicContact CG2-CG 3.89Å; L266-H268 WeakPolarHBondContact CB-O 3.22Å; L266-H268 PolarHBondContact O-N 3.34Å; L266-W270 HydrophobicContact CD1-CE3 3.84Å; L266-W270 HydrophobicContact CD1-CZ3 4.09Å; L266-I282 HydrophobicContact CD1-CD1 4.49Å; L266-I282 HydrophobicContact CD2-CG2 4Å; L266-F284 HydrophobicContact CB-CZ 4.45Å; L266-F284 HydrophobicContact CD1-CD1 4.19Å; L266-F284 HydrophobicContact CD1-CE1 3.94Å; L266-F284 HydrophobicContact CD1-CE2 4.39Å; L266-F284 HydrophobicContact CD1-CZ 4.05Å; L266-F284 HydrophobicContact CD2-CE1 4.4Å; L266-F295 HydrophobicContact CD2-CB 4.28Å; L266-F295 HydrophobicContact CD2-CD1 3.62Å; L266-F295 HydrophobicContact CD2-CD2 4.28Å; L266-F295 HydrophobicContact CD2-CE1 3.92Å; L266-F295 HydrophobicContact CD2-CG 3.8Å; L266-F295 HydrophobicContact CD2-CZ 4.36Å
267	P	97.5	Very high	97.6	Very high	56 Å²	56	44.3 Å²	44.3	36%	0.364	24%	0.238	S	C	.	.	S	Bend	trans	-68	-25	179.5	24.4	-32.2	0	0	0	112.9	F295 I302	P267-F295 HydrophobicContact CG-CD2 4.16Å; P267-F295 HydrophobicContact CG-CE2 4.38Å; P267-I302 HydrophobicContact CB-CD1 4.29Å; P267-I302 HydrophobicContact CG-CD1 3.61Å; P267-I302 HydrophobicContact CG-CG1 3.57Å
268	H	98.3	Very high	97.7	Very high	65 Å²	65	41.6 Å²	41.6	30%	0.301	22%	0.217	S	C	.	.	S	Bend	trans	-130.3	146.6	175.3	-61.8	-62.9	0	0	0	110.3	L266 K286 I293	L266-H268 WeakPolarHBondContact CB-O 3.22Å; L266-H268 PolarHBondContact O-N 3.34Å; H268-K286 HydrophobicContact CB-CG 4.16Å; H268-I293 HydrophobicContact CB-CD1 4.25Å
269	P	98.4	Very high	97.8	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.104	23%	0.232	C	C	.	.			trans	-65.6	159	168.6	-8.4	22.7	0	0	0	111.6	N243 R244 F287	N243-P269 VanDerWaalsContact O-CA 3.23Å; N243-P269 WeakPolarHBondContact O-CA 3.4Å; N243-P269 WeakPolarHBondContact O-CB 3.36Å; R244-P269 HydrophobicContact CB-CB 4.41Å; P269-F287 HydrophobicContact CB-CB 3.97Å; P269-F287 HydrophobicContact CB-CG 4.39Å; P269-F287 HydrophobicContact CG-CB 4.36Å; P269-F287 WeakPolarHBondContact O-CB 3.22Å; P269-F287 PolarHBondContact O-N 3.32Å
270	W	98.6	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-94.7	161.9	172.9	61.5	81	0	0	0	112.6	M237 D238 G239 N243 F245 V246 L266 G272 F284 N285	M237-W270 HydrophobicContact CB-CH2 3.95Å; M237-W270 HydrophobicContact CB-CZ2 3.74Å; M237-W270 HydrophobicContact CG-CH2 4.03Å; M237-W270 HydrophobicContact CG-CZ2 4.27Å; M237-W270 HydrophobicContact CG-CZ3 4.32Å; D238-W270 WeakPolarHBondContact O-CZ2 3.46Å; G239-W270 PolarHBondContact O-NE1 2.92Å; N243-W270 HydrophobicContact CB-CH2 3.81Å; N243-W270 HydrophobicContact CB-CZ2 3.57Å; N243-W270 WeakPolarHBondContact ND2-CH2 3.45Å; N243-W270 PolarHBondContact O-N 2.83Å; F245-W270 WeakPolarHBondContact O-CH2 3.19Å; V246-W270 HydrophobicContact CG2-CZ3 4.12Å; L266-W270 HydrophobicContact CD1-CE3 3.84Å; L266-W270 HydrophobicContact CD1-CZ3 4.09Å; W270-G272 VanDerWaalsContact CD1-O 3.23Å; W270-F284 HydrophobicContact CB-CB 4.42Å; W270-F284 HydrophobicContact CB-CD2 3.87Å; W270-N285 CarbonylContact C-O 3.57Å; W270-N285 VanDerWaalsContact CA-O 3.28Å; W270-N285 WeakPolarHBondContact CA-O 3.44Å
271	S	98.4	Very high	98.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-108	140.6	162.2	-69.9	0	0	0	0	109.3	Y240 N285 F287 Q288	Y240-S271 CarbonylContact O-C 3.58Å; S271-N285 VanDerWaalsContact CB-OD1 3.31Å; S271-N285 WeakPolarHBondContact CB-OD1 3.48Å; S271-N285 PolarHBondContact N-O 2.9Å; S271-F287 VanDerWaalsContact OG-CA 3.29Å; S271-F287 WeakPolarHBondContact OG-CA 3.41Å; S271-Q288 PolarHBondContact OG-N 3.07Å; S271-Q288 VanDerWaalsContact OG-N 3.13Å
272	G	98.4	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	72.7	-162.9	172.9	0	0	0	0	0	113.6	Y240 W270 Q275 G323 H324	Y240-G272 WeakPolarHBondContact CA-O 3.38Å; Y240-G272 PolarHBondContact O-N 2.84Å; W270-G272 VanDerWaalsContact CD1-O 3.23Å; G272-Q275 PolarHBondContact O-NE2 3Å; G272-G323 VanDerWaalsContact CA-O 3.32Å; G272-G323 WeakPolarHBondContact CA-O 3.42Å; G272-H324 WeakPolarHBondContact CA-O 3.37Å; G272-H324 PolarHBondContact N-O 2.94Å
273	T	98.7	Very high	98.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	-125.9	10.7	-177	48.2	0	0	0	0	112.3	G219 S220 Q275 W321 S422	G219-T273 WeakPolarHBondContact O-CG2 3.5Å; S220-T273 VanDerWaalsContact CB-O 3.26Å; S220-T273 WeakPolarHBondContact CB-O 3.38Å; T273-Q275 VanDerWaalsContact C-N 3.31Å; T273-Q275 PolarHBondContact O-N 2.72Å; T273-Q275 PolarHBondContact O-OE1 3.36Å; T273-Q275 VanDerWaalsContact O-OE1 3.09Å; T273-W321 HydrophobicContact CG2-CH2 4.02Å; T273-W321 HydrophobicContact CG2-CZ2 4.35Å; T273-W321 VanDerWaalsContact OG1-CZ2 3.29Å; T273-W321 WeakPolarHBondContact OG1-CZ2 3.49Å; T273-S422 WeakPolarHBondContact CB-O 3.42Å; T273-S422 PolarHBondContact OG1-O 2.8Å
274	G	98.4	Very high	98.2	Very high	4 Å²	4	23.7 Å²	23.7	4%	0.041	12%	0.122	C	C	.	.			trans	-92.6	45	-178.2	0	0	0	0	0	113.5	D328 L329	G274-D328 WeakPolarHBondContact CA-OD1 3.43Å; G274-L329 WeakPolarHBondContact O-CB 3.25Å; G274-L329 PolarHBondContact O-N 2.89Å
275	Q	98.7	Very high	98.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.117	C	C	.	.			trans	-83.6	152.8	170.3	-50.9	84.7	-4.7	0	0	109.4	S220 M222 M237 G272 T273 I282 Y283 F284	S220-Q275 PolarHBondContact OG-OE1 3.31Å; M222-Q275 HydrophobicContact CE-CB 4.49Å; M222-Q275 WeakPolarHBondContact CE-O 3.15Å; M237-Q275 HydrophobicContact SD-CB 3.87Å; M237-Q275 HydrophobicContact SD-CG 4.05Å; G272-Q275 PolarHBondContact O-NE2 3Å; T273-Q275 VanDerWaalsContact C-N 3.31Å; T273-Q275 PolarHBondContact O-N 2.72Å; T273-Q275 PolarHBondContact O-OE1 3.36Å; T273-Q275 VanDerWaalsContact O-OE1 3.09Å; Q275-I282 HydrophobicContact CB-CD1 4.25Å; Q275-I282 HydrophobicContact CB-CG1 4.39Å; Q275-Y283 VanDerWaalsContact CA-O 3.29Å; Q275-Y283 WeakPolarHBondContact CA-O 3.23Å; Q275-F284 HydrophobicContact CB-CB 4.24Å; Q275-F284 HydrophobicContact CG-CB 3.65Å
276	V	98.8	Very high	98.3	Very high	11 Å²	11	18.7 Å²	18.7	7%	0.067	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.8	169.1	66.3	0	0	0	0	110.9	M222 I282 Y283 L329 V331 L336	M222-V276 WeakPolarHBondContact SD-CA 3.5Å; V276-I282 WeakPolarHBondContact O-CA 3.36Å; V276-Y283 HydrophobicContact CG1-CD2 4.37Å; V276-Y283 HydrophobicContact CG1-CG 4.45Å; V276-Y283 PolarHBondContact N-O 3.47Å; V276-Y283 PolarHBondContact O-N 2.79Å; V276-L329 HydrophobicContact CG1-CB 3.94Å; V276-V331 HydrophobicContact CB-CG2 4.5Å; V276-V331 HydrophobicContact CG1-CG2 4.17Å; V276-V331 HydrophobicContact CG2-CB 4.15Å; V276-V331 HydrophobicContact CG2-CG2 3.6Å; V276-L336 HydrophobicContact CG1-CD1 3.6Å
277	V	98.7	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.6	167.1	-178.3	0	0	0	0	108.5	M222 D224 P225 W235 S281 I282 F297	M222-V277 HydrophobicContact CG-CB 4.31Å; M222-V277 HydrophobicContact CG-CG2 4.11Å; M222-V277 HydrophobicContact SD-CB 4.27Å; M222-V277 HydrophobicContact SD-CG2 3.89Å; M222-V277 PolarHBondContact SD-N 2.84Å; D224-V277 HydrophobicContact CB-CG1 3.93Å; P225-V277 WeakPolarHBondContact CD-O 3.33Å; W235-V277 HydrophobicContact CB-CG2 3.86Å; W235-V277 HydrophobicContact CD2-CG2 4.22Å; W235-V277 HydrophobicContact CG-CB 4.37Å; W235-V277 HydrophobicContact CG-CG1 4.43Å; W235-V277 HydrophobicContact CG-CG2 3.66Å; V277-S281 CarbonylContact C-O 3.49Å; V277-S281 WeakPolarHBondContact CA-O 3.38Å; V277-I282 HydrophobicContact CG2-CB 4.17Å; V277-I282 HydrophobicContact CG2-CG1 4.28Å; V277-F297 HydrophobicContact CG1-CE2 4.12Å; V277-F297 HydrophobicContact CG2-CE2 4.02Å; V277-F297 HydrophobicContact CG2-CZ 4.47Å
278	Y	98.1	Very high	98.2	Very high	35 Å²	35	22.8 Å²	22.8	14%	0.137	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	118.9	-176.2	-173.9	-115	0	0	0	110.6	D224 P225 L226 S281 Y283 V331 P356	D224-Y278 WeakPolarHBondContact OD1-CA 3.14Å; P225-Y278 HydrophobicContact CG-CD2 3.93Å; P225-Y278 HydrophobicContact CG-CE2 4.32Å; L226-Y278 HydrophobicContact CD1-CD2 4.06Å; L226-Y278 HydrophobicContact CD1-CE1 4.09Å; L226-Y278 HydrophobicContact CD1-CE2 3.36Å; L226-Y278 WeakPolarHBondContact CD1-OH 3.49Å; L226-Y278 HydrophobicContact CG-CD2 4.19Å; L226-Y278 HydrophobicContact CG-CE2 3.64Å; Y278-S281 PolarHBondContact N-O 2.61Å; Y278-S281 PolarHBondContact O-N 3.18Å; Y278-Y283 HydrophobicContact CD1-CE2 4.43Å; Y278-V331 HydrophobicContact CD2-CB 4.27Å; Y278-V331 HydrophobicContact CD2-CG1 3.64Å; Y278-V331 HydrophobicContact CD2-CG2 3.66Å; Y278-V331 HydrophobicContact CE2-CG1 3.55Å; Y278-V331 HydrophobicContact CE2-CG2 4.23Å; Y278-V331 HydrophobicContact CG-CG2 3.86Å; Y278-P356 HydrophobicContact CD1-CB 4.06Å; Y278-P356 HydrophobicContact CE1-CB 3.89Å; Y278-P356 HydrophobicContact CE1-CG 4.19Å
279	N	95.6	Very high	98.2	Very high	93 Å²	93	20.5 Å²	20.5	50%	0.497	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	55.3	-179.5	-161.7	-1.4	0	0	0	113.5	D224 L226 S281	D224-N279 VanDerWaalsContact CG-N 3.3Å; D224-N279 PolarHBondContact OD1-N 2.97Å; D224-N279 WeakPolarHBondContact OD2-CA 3.37Å; D224-N279 PolarHBondContact OD2-N 2.75Å; L226-N279 HydrophobicContact CB-CB 4.32Å; L226-N279 HydrophobicContact CD1-CB 4.01Å; N279-S281 PolarHBondContact O-N 2.75Å
280	G	96.3	Very high	98.2	Very high	29 Å²	29	21.6 Å²	21.6	30%	0.299	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	4.5	175.5	0	0	0	0	0	115.5	D224 F297	D224-G280 PolarHBondContact OD2-N 3.42Å; G280-F297 WeakPolarHBondContact O-CD2 3.28Å; G280-F297 PolarHBondContact O-N 2.99Å
281	S	98.6	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.9	178.3	-65.3	0	0	0	0	111.5	V277 Y278 N279 K294 F295	V277-S281 CarbonylContact C-O 3.49Å; V277-S281 WeakPolarHBondContact CA-O 3.38Å; Y278-S281 PolarHBondContact N-O 2.61Å; Y278-S281 PolarHBondContact O-N 3.18Å; N279-S281 PolarHBondContact O-N 2.75Å; S281-K294 WeakPolarHBondContact OG-CE 3.44Å; S281-F295 CarbonylContact C-O 3.57Å; S281-F295 WeakPolarHBondContact CA-O 3.22Å; S281-F295 WeakPolarHBondContact CB-O 3.27Å
282	I	98.8	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.7	166.7	-174.8	173.3	0	0	0	110.4	M237 V246 L266 Q275 V276 V277 F284 K294 F295 F297	M237-I282 HydrophobicContact SD-CD1 3.62Å; V246-I282 HydrophobicContact CG2-CD1 3.93Å; L266-I282 HydrophobicContact CD1-CD1 4.49Å; L266-I282 HydrophobicContact CD2-CG2 4Å; Q275-I282 HydrophobicContact CB-CD1 4.25Å; Q275-I282 HydrophobicContact CB-CG1 4.39Å; V276-I282 WeakPolarHBondContact O-CA 3.36Å; V277-I282 HydrophobicContact CG2-CB 4.17Å; V277-I282 HydrophobicContact CG2-CG1 4.28Å; I282-F284 HydrophobicContact CG1-CD1 4.42Å; I282-F284 HydrophobicContact CG2-CD1 4.37Å; I282-K294 WeakPolarHBondContact O-CA 3.33Å; I282-F295 HydrophobicContact CG2-CB 3.78Å; I282-F295 HydrophobicContact CG2-CD1 3.91Å; I282-F295 HydrophobicContact CG2-CG 4.29Å; I282-F295 PolarHBondContact N-O 2.63Å; I282-F295 PolarHBondContact O-N 3.31Å; I282-F297 HydrophobicContact CB-CE2 3.66Å; I282-F297 HydrophobicContact CB-CZ 3.53Å; I282-F297 HydrophobicContact CD1-CZ 4.33Å; I282-F297 HydrophobicContact CG1-CZ 4.49Å; I282-F297 HydrophobicContact CG2-CE1 4.02Å; I282-F297 HydrophobicContact CG2-CE2 3.93Å; I282-F297 HydrophobicContact CG2-CZ 3.51Å
283	Y	98.9	Very high	98.3	Very high	2 Å²	2	23 Å²	23	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.6	173.1	-61	-104.1	0	0	0	107.9	Q275 V276 Y278 I293 K294 L336 P356 L359	Q275-Y283 VanDerWaalsContact CA-O 3.29Å; Q275-Y283 WeakPolarHBondContact CA-O 3.23Å; V276-Y283 HydrophobicContact CG1-CD2 4.37Å; V276-Y283 HydrophobicContact CG1-CG 4.45Å; V276-Y283 PolarHBondContact N-O 3.47Å; V276-Y283 PolarHBondContact O-N 2.79Å; Y278-Y283 HydrophobicContact CD1-CE2 4.43Å; Y283-I293 VanDerWaalsContact CA-O 3.29Å; Y283-I293 WeakPolarHBondContact CA-O 3.23Å; Y283-K294 HydrophobicContact CD1-CB 4.02Å; Y283-K294 HydrophobicContact CD1-CG 4.12Å; Y283-K294 HydrophobicContact CE1-CB 3.85Å; Y283-K294 HydrophobicContact CE1-CD 3.73Å; Y283-K294 HydrophobicContact CE1-CG 3.6Å; Y283-K294 HydrophobicContact CE2-CG 4.26Å; Y283-K294 WeakPolarHBondContact OH-CD 3.32Å; Y283-K294 WeakPolarHBondContact OH-CE 3.45Å; Y283-K294 PolarHBondContact OH-NZ 3.49Å; Y283-L336 HydrophobicContact CD1-CD2 3.58Å; Y283-L336 HydrophobicContact CE1-CD2 3.55Å; Y283-L336 HydrophobicContact CG-CD2 4.18Å; Y283-P356 WeakPolarHBondContact CE1-O 3.48Å; Y283-P356 PolarHBondContact OH-O 3.49Å; Y283-L359 HydrophobicContact CD1-CD2 3.69Å; Y283-L359 HydrophobicContact CE1-CD2 3.64Å
284	F	98.8	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.4	-178.3	67	-82.3	0	0	0	112.3	L266 W270 Q275 I282 I292 I293 F295	L266-F284 HydrophobicContact CB-CZ 4.45Å; L266-F284 HydrophobicContact CD1-CD1 4.19Å; L266-F284 HydrophobicContact CD1-CE1 3.94Å; L266-F284 HydrophobicContact CD1-CE2 4.39Å; L266-F284 HydrophobicContact CD1-CZ 4.05Å; L266-F284 HydrophobicContact CD2-CE1 4.4Å; W270-F284 HydrophobicContact CB-CB 4.42Å; W270-F284 HydrophobicContact CB-CD2 3.87Å; Q275-F284 HydrophobicContact CB-CB 4.24Å; Q275-F284 HydrophobicContact CG-CB 3.65Å; I282-F284 HydrophobicContact CG1-CD1 4.42Å; I282-F284 HydrophobicContact CG2-CD1 4.37Å; F284-I292 WeakPolarHBondContact O-CA 3.26Å; F284-I293 HydrophobicContact CD1-CB 4.2Å; F284-I293 HydrophobicContact CD1-CG2 4.36Å; F284-I293 HydrophobicContact CE1-CB 3.71Å; F284-I293 HydrophobicContact CE1-CG2 3.51Å; F284-I293 HydrophobicContact CE2-CB 4.22Å; F284-I293 HydrophobicContact CE2-CD1 4.09Å; F284-I293 HydrophobicContact CZ-CB 3.73Å; F284-I293 HydrophobicContact CZ-CD1 3.9Å; F284-I293 HydrophobicContact CZ-CG1 4.37Å; F284-I293 HydrophobicContact CZ-CG2 3.67Å; F284-I293 PolarHBondContact N-O 2.78Å; F284-I293 PolarHBondContact O-N 2.72Å; F284-F295 HydrophobicContact CE1-CB 4.15Å
285	N	98.8	Very high	98.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.3	169.8	177.3	-136.2	0	0	0	110.5	W270 S271 S289 V291 I327	W270-N285 CarbonylContact C-O 3.57Å; W270-N285 VanDerWaalsContact CA-O 3.28Å; W270-N285 WeakPolarHBondContact CA-O 3.44Å; S271-N285 VanDerWaalsContact CB-OD1 3.31Å; S271-N285 WeakPolarHBondContact CB-OD1 3.48Å; S271-N285 PolarHBondContact N-O 2.9Å; N285-S289 PolarHBondContact ND2-O 3.32Å; N285-S289 PolarHBondContact OD1-O 3.14Å; N285-V291 PolarHBondContact ND2-O 3.13Å; N285-V291 VanDerWaalsContact ND2-O 3.07Å; N285-I327 HydrophobicContact CB-CB 4.25Å; N285-I327 HydrophobicContact CB-CG2 4.45Å
286	K	98.6	Very high	98.2	Very high	72 Å²	72	25.3 Å²	25.3	31%	0.313	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-63.2	134.7	175.4	175.4	-173.2	-178.8	179.1	0	110.3	H268 Q288 S289 V291 I293	H268-K286 HydrophobicContact CB-CG 4.16Å; K286-Q288 PolarHBondContact O-N 3.18Å; K286-S289 WeakPolarHBondContact CB-OG 3.46Å; K286-S289 PolarHBondContact O-N 2.96Å; K286-S289 PolarHBondContact O-OG 3.02Å; K286-V291 HydrophobicContact CB-CB 4.29Å; K286-V291 HydrophobicContact CD-CB 4.5Å; K286-V291 PolarHBondContact N-O 3.42Å; K286-I293 HydrophobicContact CB-CD1 3.8Å; K286-I293 HydrophobicContact CB-CG1 4.23Å; K286-I293 HydrophobicContact CD-CD1 4.14Å; K286-I293 HydrophobicContact CG-CD1 4.12Å
287	F	98.1	Very high	98.1	Very high	40 Å²	40	25.5 Å²	25.5	18%	0.175	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	130.7	179.8	-174.7	-115.4	0	0	0	113.6	H241 P269 S271 S289	H241-F287 AromaticContact CD2-CE2 3.54Å; H241-F287 AromaticContact CD2-CZ 3.98Å; H241-F287 AromaticContact CE1-CZ 3.93Å; H241-F287 AromaticContact NE2-CE2 3.52Å; H241-F287 AromaticContact NE2-CZ 3.43Å; H241-F287 WeakPolarHBondContact NE2-CZ 3.44Å; P269-F287 HydrophobicContact CB-CB 3.97Å; P269-F287 HydrophobicContact CB-CG 4.39Å; P269-F287 HydrophobicContact CG-CB 4.36Å; P269-F287 WeakPolarHBondContact O-CB 3.22Å; P269-F287 PolarHBondContact O-N 3.32Å; S271-F287 VanDerWaalsContact OG-CA 3.29Å; S271-F287 WeakPolarHBondContact OG-CA 3.41Å; F287-S289 PolarHBondContact O-N 3.11Å
288	Q	96.9	Very high	97.9	Very high	102 Å²	102	36.1 Å²	36.1	48%	0.477	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.3	178.6	-66	-177.2	-34.9	0	0	114.6	S271 K286 F313	S271-Q288 PolarHBondContact OG-N 3.07Å; S271-Q288 VanDerWaalsContact OG-N 3.13Å; K286-Q288 PolarHBondContact O-N 3.18Å; Q288-F313 WeakPolarHBondContact O-CE2 3.46Å
289	S	98.3	Very high	97.8	Very high	18 Å²	18	38.2 Å²	38.2	13%	0.126	19%	0.188	C	C	.	.	S	Bend	trans	-147.9	171.4	176.9	75.5	0	0	0	0	110.6	N285 K286 F287 V291 F313	N285-S289 PolarHBondContact ND2-O 3.32Å; N285-S289 PolarHBondContact OD1-O 3.14Å; K286-S289 WeakPolarHBondContact CB-OG 3.46Å; K286-S289 PolarHBondContact O-N 2.96Å; K286-S289 PolarHBondContact O-OG 3.02Å; F287-S289 PolarHBondContact O-N 3.11Å; S289-V291 PolarHBondContact OG-N 2.86Å; S289-F313 WeakPolarHBondContact O-CB 3.36Å
290	H	98.3	Very high	97.9	Very high	38 Å²	38	37.4 Å²	37.4	18%	0.176	19%	0.19	C	C	.	.	S	Bend	trans	-104.8	32.9	169.2	54	119.3	0	0	0	110.9	Q307 L308 A311 F313 I327	H290-Q307 WeakPolarHBondContact CE1-CG 3.22Å; H290-Q307 PolarHBondContact CE1-NE2 2.81Å; H290-Q307 VanDerWaalsContact ND1-CG 3.27Å; H290-Q307 WeakPolarHBondContact ND1-CG 3.11Å; H290-L308 PolarHBondContact ND1-O 3.34Å; H290-L308 WeakPolarHBondContact O-CB 3.47Å; H290-L308 PolarHBondContact O-N 2.91Å; H290-A311 HydrophobicContact CB-CB 4.08Å; H290-F313 HydrophobicContact CB-CB 4.23Å; H290-F313 HydrophobicContact CB-CD1 3.82Å; H290-F313 HydrophobicContact CB-CG 4.25Å; H290-F313 AromaticContact CD2-CD1 3.38Å; H290-F313 WeakPolarHBondContact CD2-CD1 3.07Å; H290-F313 AromaticContact CD2-CE1 3.25Å; H290-F313 WeakPolarHBondContact CD2-CE1 3.03Å; H290-F313 AromaticContact CG-CD1 3.85Å; H290-F313 AromaticContact NE2-CE1 3.88Å; H290-I327 HydrophobicContact CB-CD1 3.86Å
291	V	98.8	Very high	97.9	Very high	26 Å²	26	38.5 Å²	38.5	16%	0.158	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.4	178.2	177.5	0	0	0	0	109.2	N285 K286 S289 I293 S305 R306 Q307	N285-V291 PolarHBondContact ND2-O 3.13Å; N285-V291 VanDerWaalsContact ND2-O 3.07Å; K286-V291 HydrophobicContact CB-CB 4.29Å; K286-V291 HydrophobicContact CD-CB 4.5Å; K286-V291 PolarHBondContact N-O 3.42Å; S289-V291 PolarHBondContact OG-N 2.86Å; V291-I293 HydrophobicContact CG1-CG1 4.34Å; V291-S305 WeakPolarHBondContact CG1-OG 3.44Å; V291-R306 WeakPolarHBondContact CA-O 3.25Å; V291-Q307 HydrophobicContact CG2-CB 4.49Å
292	I	98.8	Very high	97.9	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.4	169.8	-61.1	168.5	0	0	0	108.1	F284 S305 R306 L308 L329 A338 L354 L359	F284-I292 WeakPolarHBondContact O-CA 3.26Å; I292-S305 WeakPolarHBondContact O-CA 3.48Å; I292-R306 PolarHBondContact N-O 2.96Å; I292-R306 PolarHBondContact O-N 3.07Å; I292-L308 HydrophobicContact CD1-CB 4.34Å; I292-L308 HydrophobicContact CD1-CD1 3.99Å; I292-L308 HydrophobicContact CD1-CD2 4.21Å; I292-L308 HydrophobicContact CD1-CG 4.43Å; I292-L329 HydrophobicContact CD1-CD2 3.69Å; I292-L329 HydrophobicContact CG1-CD1 4.43Å; I292-L329 HydrophobicContact CG1-CD2 4.16Å; I292-L329 HydrophobicContact CG2-CD1 3.82Å; I292-A338 HydrophobicContact CD1-CB 4.42Å; I292-L354 HydrophobicContact CD1-CD1 3.69Å; I292-L359 HydrophobicContact CB-CD1 4.47Å; I292-L359 HydrophobicContact CG2-CD1 4.11Å; I292-L359 HydrophobicContact CG2-CD2 4.18Å
293	I	98.8	Very high	97.8	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132	174.5	-65.3	-179.5	0	0	0	108.8	H268 Y283 F284 K286 V291 I302	H268-I293 HydrophobicContact CB-CD1 4.25Å; Y283-I293 VanDerWaalsContact CA-O 3.29Å; Y283-I293 WeakPolarHBondContact CA-O 3.23Å; F284-I293 HydrophobicContact CD1-CB 4.2Å; F284-I293 HydrophobicContact CD1-CG2 4.36Å; F284-I293 HydrophobicContact CE1-CB 3.71Å; F284-I293 HydrophobicContact CE1-CG2 3.51Å; F284-I293 HydrophobicContact CE2-CB 4.22Å; F284-I293 HydrophobicContact CE2-CD1 4.09Å; F284-I293 HydrophobicContact CZ-CB 3.73Å; F284-I293 HydrophobicContact CZ-CD1 3.9Å; F284-I293 HydrophobicContact CZ-CG1 4.37Å; F284-I293 HydrophobicContact CZ-CG2 3.67Å; F284-I293 PolarHBondContact N-O 2.78Å; F284-I293 PolarHBondContact O-N 2.72Å; K286-I293 HydrophobicContact CB-CD1 3.8Å; K286-I293 HydrophobicContact CB-CG1 4.23Å; K286-I293 HydrophobicContact CD-CD1 4.14Å; K286-I293 HydrophobicContact CG-CD1 4.12Å; V291-I293 HydrophobicContact CG1-CG1 4.34Å; I293-I302 HydrophobicContact CD1-CD1 4.46Å; I293-I302 HydrophobicContact CG2-CD1 4.28Å; I293-I302 HydrophobicContact CG2-CG1 4.07Å; I293-I302 HydrophobicContact CG2-CG2 4.01Å
294	K	98.7	Very high	97.7	Very high	25 Å²	25	48.3 Å²	48.3	11%	0.109	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.2	162.7	-176.3	-173.1	177	169	0	108.5	S281 I282 Y283 S303 K304 P356 N357 L359	S281-K294 WeakPolarHBondContact OG-CE 3.44Å; I282-K294 WeakPolarHBondContact O-CA 3.33Å; Y283-K294 HydrophobicContact CD1-CB 4.02Å; Y283-K294 HydrophobicContact CD1-CG 4.12Å; Y283-K294 HydrophobicContact CE1-CB 3.85Å; Y283-K294 HydrophobicContact CE1-CD 3.73Å; Y283-K294 HydrophobicContact CE1-CG 3.6Å; Y283-K294 HydrophobicContact CE2-CG 4.26Å; Y283-K294 WeakPolarHBondContact OH-CD 3.32Å; Y283-K294 WeakPolarHBondContact OH-CE 3.45Å; Y283-K294 PolarHBondContact OH-NZ 3.49Å; K294-S303 WeakPolarHBondContact CD-OG 3.32Å; K294-S303 WeakPolarHBondContact CG-OG 3.42Å; K294-S303 PolarHBondContact O-N 3.24Å; K294-S303 PolarHBondContact O-OG 2.87Å; K294-K304 HydrophobicContact CB-CB 4.15Å; K294-K304 PolarHBondContact N-O 2.83Å; K294-K304 PolarHBondContact O-N 3.5Å; K294-P356 WeakPolarHBondContact CD-O 3.27Å; K294-P356 PolarHBondContact NZ-O 2.84Å; K294-P356 VanDerWaalsContact NZ-O 3.13Å; K294-N357 PolarHBondContact NZ-OD1 2.72Å; K294-L359 HydrophobicContact CB-CD1 4.32Å
295	F	98.7	Very high	97.7	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.4	174.9	176.1	-87.2	0	0	0	109.4	L266 P267 S281 I282 F284 F297 S300 S301 I302	L266-F295 HydrophobicContact CD2-CB 4.28Å; L266-F295 HydrophobicContact CD2-CD1 3.62Å; L266-F295 HydrophobicContact CD2-CD2 4.28Å; L266-F295 HydrophobicContact CD2-CE1 3.92Å; L266-F295 HydrophobicContact CD2-CG 3.8Å; L266-F295 HydrophobicContact CD2-CZ 4.36Å; P267-F295 HydrophobicContact CG-CD2 4.16Å; P267-F295 HydrophobicContact CG-CE2 4.38Å; S281-F295 CarbonylContact C-O 3.57Å; S281-F295 WeakPolarHBondContact CA-O 3.22Å; S281-F295 WeakPolarHBondContact CB-O 3.27Å; I282-F295 HydrophobicContact CG2-CB 3.78Å; I282-F295 HydrophobicContact CG2-CD1 3.91Å; I282-F295 HydrophobicContact CG2-CG 4.29Å; I282-F295 PolarHBondContact N-O 2.63Å; I282-F295 PolarHBondContact O-N 3.31Å; F284-F295 HydrophobicContact CE1-CB 4.15Å; F295-F297 HydrophobicContact CD1-CD1 4.13Å; F295-F297 HydrophobicContact CD1-CE1 4.29Å; F295-F297 AromaticContact CE1-CD1 3.89Å; F295-F297 HydrophobicContact CE1-CD1 3.89Å; F295-F297 HydrophobicContact CE1-CE1 4.29Å; F295-S300 WeakPolarHBondContact CE2-O 3.4Å; F295-S300 VanDerWaalsContact CZ-CA 3.46Å; F295-S301 WeakPolarHBondContact CA-O 3.44Å; F295-S301 WeakPolarHBondContact CD2-O 3.43Å; F295-I302 HydrophobicContact CD2-CG1 4.5Å
296	D	98	Very high	97.7	Very high	26 Å²	26	55.5 Å²	55.5	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.2	-178.9	174.6	-81.4	0	0	0	109.5	R298 T299 S300 S301	D296-R298 VanDerWaalsContact C-N 3.34Å; D296-R298 PolarHBondContact O-N 3.33Å; D296-R298 WeakPolarHBondContact OD1-CB 3.44Å; D296-R298 PolarHBondContact OD1-N 3.37Å; D296-T299 WeakPolarHBondContact CB-OG1 3.29Å; D296-T299 WeakPolarHBondContact OD1-CB 3.22Å; D296-T299 WeakPolarHBondContact OD1-CG2 3.22Å; D296-T299 PolarHBondContact OD1-N 2.92Å; D296-T299 PolarHBondContact OD1-OG1 3.34Å; D296-S300 VanDerWaalsContact O-CA 3.31Å; D296-S300 WeakPolarHBondContact O-CA 3.44Å; D296-S300 PolarHBondContact O-N 2.8Å; D296-S301 PolarHBondContact N-O 2.84Å; D296-S301 PolarHBondContact O-N 2.92Å
297	F	96.6	Very high	97.6	Very high	15 Å²	15	57 Å²	57	7%	0.066	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.2	-174.7	-72	-67.2	0	0	0	112.5	W235 V246 H264 V277 G280 I282 F295 S300	W235-F297 AromaticContact CD2-CE2 3.93Å; W235-F297 HydrophobicContact CD2-CE2 3.93Å; W235-F297 HydrophobicContact CD2-CZ 4.01Å; W235-F297 AromaticContact CE2-CE2 3.87Å; W235-F297 HydrophobicContact CE3-CD1 4.47Å; W235-F297 HydrophobicContact CE3-CD2 4.48Å; W235-F297 AromaticContact CE3-CE1 3.84Å; W235-F297 HydrophobicContact CE3-CE1 3.84Å; W235-F297 AromaticContact CE3-CE2 3.83Å; W235-F297 HydrophobicContact CE3-CE2 3.83Å; W235-F297 AromaticContact CE3-CZ 3.47Å; W235-F297 HydrophobicContact CE3-CZ 3.47Å; W235-F297 VanDerWaalsContact CE3-CZ 3.47Å; W235-F297 HydrophobicContact CH2-CB 3.96Å; W235-F297 AromaticContact CH2-CD1 3.49Å; W235-F297 HydrophobicContact CH2-CD1 3.49Å; W235-F297 VanDerWaalsContact CH2-CD1 3.49Å; W235-F297 AromaticContact CH2-CD2 3.43Å; W235-F297 HydrophobicContact CH2-CD2 3.43Å; W235-F297 VanDerWaalsContact CH2-CD2 3.43Å; W235-F297 AromaticContact CH2-CE1 3.72Å; W235-F297 HydrophobicContact CH2-CE1 3.72Å; W235-F297 AromaticContact CH2-CE2 3.63Å; W235-F297 HydrophobicContact CH2-CE2 3.63Å; W235-F297 AromaticContact CH2-CG 3.34Å; W235-F297 HydrophobicContact CH2-CG 3.34Å; W235-F297 AromaticContact CH2-CZ 3.77Å; W235-F297 HydrophobicContact CH2-CZ 3.77Å; W235-F297 HydrophobicContact CZ2-CB 4.48Å; W235-F297 HydrophobicContact CZ2-CD1 4.44Å; W235-F297 AromaticContact CZ2-CD2 3.56Å; W235-F297 HydrophobicContact CZ2-CD2 3.56Å; W235-F297 AromaticContact CZ2-CE2 3.75Å; W235-F297 HydrophobicContact CZ2-CE2 3.75Å; W235-F297 AromaticContact CZ2-CG 3.93Å; W235-F297 HydrophobicContact CZ2-CG 3.93Å; W235-F297 HydrophobicContact CZ2-CZ 4.28Å; W235-F297 AromaticContact CZ3-CD1 3.49Å; W235-F297 HydrophobicContact CZ3-CD1 3.49Å; W235-F297 VanDerWaalsContact CZ3-CD1 3.49Å; W235-F297 AromaticContact CZ3-CD2 3.91Å; W235-F297 HydrophobicContact CZ3-CD2 3.91Å; W235-F297 AromaticContact CZ3-CE1 3.23Å; W235-F297 HydrophobicContact CZ3-CE1 3.23Å; W235-F297 AromaticContact CZ3-CE2 3.66Å; W235-F297 HydrophobicContact CZ3-CE2 3.66Å; W235-F297 AromaticContact CZ3-CG 3.83Å; W235-F297 HydrophobicContact CZ3-CG 3.83Å; W235-F297 AromaticContact CZ3-CZ 3.31Å; W235-F297 HydrophobicContact CZ3-CZ 3.31Å; V246-F297 HydrophobicContact CG1-CE1 4.42Å; V246-F297 HydrophobicContact CG1-CZ 4.26Å; H264-F297 HydrophobicContact CB-CD1 4.16Å; H264-F297 HydrophobicContact CB-CE1 4.03Å; H264-F297 AromaticContact CG-CD1 3.81Å; H264-F297 AromaticContact ND1-CD1 3.8Å; V277-F297 HydrophobicContact CG1-CE2 4.12Å; V277-F297 HydrophobicContact CG2-CE2 4.02Å; V277-F297 HydrophobicContact CG2-CZ 4.47Å; G280-F297 WeakPolarHBondContact O-CD2 3.28Å; G280-F297 PolarHBondContact O-N 2.99Å; I282-F297 HydrophobicContact CB-CE2 3.66Å; I282-F297 HydrophobicContact CB-CZ 3.53Å; I282-F297 HydrophobicContact CD1-CZ 4.33Å; I282-F297 HydrophobicContact CG1-CZ 4.49Å; I282-F297 HydrophobicContact CG2-CE1 4.02Å; I282-F297 HydrophobicContact CG2-CE2 3.93Å; I282-F297 HydrophobicContact CG2-CZ 3.51Å; F295-F297 HydrophobicContact CD1-CD1 4.13Å; F295-F297 HydrophobicContact CD1-CE1 4.29Å; F295-F297 AromaticContact CE1-CD1 3.89Å; F295-F297 HydrophobicContact CE1-CD1 3.89Å; F295-F297 HydrophobicContact CE1-CE1 4.29Å; F297-S300 PolarHBondContact O-N 2.98Å; F297-S300 PolarHBondContact O-OG 3.22Å
298	R	94.2	Very high	97.6	Very high	222 Å²	222	55.2 Å²	55.2	84%	0.838	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-44.7	-178.4	-178	178.1	63.6	173.3	-0.1	112.4	D296	D296-R298 VanDerWaalsContact C-N 3.34Å; D296-R298 PolarHBondContact O-N 3.33Å; D296-R298 WeakPolarHBondContact OD1-CB 3.44Å; D296-R298 PolarHBondContact OD1-N 3.37Å
299	T	96.1	Very high	97.5	Very high	79 Å²	79	54.3 Å²	54.3	49%	0.485	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.6	178.1	61.2	0	0	0	0	113	D296 S301	D296-T299 WeakPolarHBondContact CB-OG1 3.29Å; D296-T299 WeakPolarHBondContact OD1-CB 3.22Å; D296-T299 WeakPolarHBondContact OD1-CG2 3.22Å; D296-T299 PolarHBondContact OD1-N 2.92Å; D296-T299 PolarHBondContact OD1-OG1 3.34Å; T299-S301 PolarHBondContact O-N 3.29Å; T299-S301 PolarHBondContact OG1-OG 2.81Å
300	S	96.5	Very high	97.4	Very high	77 Å²	77	61.1 Å²	61.1	54%	0.538	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	40.2	-176	-68.4	0	0	0	0	113	F295 D296 F297	F295-S300 WeakPolarHBondContact CE2-O 3.4Å; F295-S300 VanDerWaalsContact CZ-CA 3.46Å; D296-S300 VanDerWaalsContact O-CA 3.31Å; D296-S300 WeakPolarHBondContact O-CA 3.44Å; D296-S300 PolarHBondContact O-N 2.8Å; F297-S300 PolarHBondContact O-N 2.98Å; F297-S300 PolarHBondContact O-OG 3.22Å
301	S	96.9	Very high	97.4	Very high	51 Å²	51	59.6 Å²	59.6	36%	0.357	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.4	-172.1	76.7	0	0	0	0	112.8	F295 D296 T299 S303	F295-S301 WeakPolarHBondContact CA-O 3.44Å; F295-S301 WeakPolarHBondContact CD2-O 3.43Å; D296-S301 PolarHBondContact N-O 2.84Å; D296-S301 PolarHBondContact O-N 2.92Å; T299-S301 PolarHBondContact O-N 3.29Å; T299-S301 PolarHBondContact OG1-OG 2.81Å; S301-S303 PolarHBondContact O-N 3.38Å
302	I	98.2	Very high	97.4	Very high	68 Å²	68	58.9 Å²	58.9	35%	0.349	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	110.3	170	-60.2	178.2	0	0	0	108	P267 I293 F295 K304	P267-I302 HydrophobicContact CB-CD1 4.29Å; P267-I302 HydrophobicContact CG-CD1 3.61Å; P267-I302 HydrophobicContact CG-CG1 3.57Å; I293-I302 HydrophobicContact CD1-CD1 4.46Å; I293-I302 HydrophobicContact CG2-CD1 4.28Å; I293-I302 HydrophobicContact CG2-CG1 4.07Å; I293-I302 HydrophobicContact CG2-CG2 4.01Å; F295-I302 HydrophobicContact CD2-CG1 4.5Å; I302-K304 WeakPolarHBondContact CG2-O 3.46Å
303	S	96.4	Very high	97.4	Very high	56 Å²	56	62.4 Å²	62.4	39%	0.392	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-33.8	174.8	56.3	0	0	0	0	111.7	K294 S301	K294-S303 WeakPolarHBondContact CD-OG 3.32Å; K294-S303 WeakPolarHBondContact CG-OG 3.42Å; K294-S303 PolarHBondContact O-N 3.24Å; K294-S303 PolarHBondContact O-OG 2.87Å; S301-S303 PolarHBondContact O-N 3.38Å
304	K	98	Very high	97.3	Very high	86 Å²	86	65.7 Å²	65.7	37%	0.374	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	151.4	173.7	-155.9	66.7	-173.7	175.5	0	113.1	K294 I302 L359	K294-K304 HydrophobicContact CB-CB 4.15Å; K294-K304 PolarHBondContact N-O 2.83Å; K294-K304 PolarHBondContact O-N 3.5Å; I302-K304 WeakPolarHBondContact CG2-O 3.46Å; K304-L359 HydrophobicContact CB-CD1 3.96Å; K304-L359 HydrophobicContact CB-CG 4.23Å; K304-L359 HydrophobicContact CG-CD1 4Å; K304-L359 HydrophobicContact CG-CG 4.1Å
305	S	98.1	Very high	97.2	Very high	61 Å²	61	67.4 Å²	67.4	43%	0.427	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.9	170.2	178.3	0	0	0	0	109	V291 I292	V291-S305 WeakPolarHBondContact CG1-OG 3.44Å; I292-S305 WeakPolarHBondContact O-CA 3.48Å
306	R	98.3	Very high	97.2	Very high	92 Å²	92	69.3 Å²	69.3	35%	0.347	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	142.6	178.9	-173.7	176.9	-81	-91.6	-4.1	111.2	V291 I292 T358 L359 Q360	V291-R306 WeakPolarHBondContact CA-O 3.25Å; I292-R306 PolarHBondContact N-O 2.96Å; I292-R306 PolarHBondContact O-N 3.07Å; R306-T358 PolarHBondContact NE-O 3.24Å; R306-L359 HydrophobicContact CB-CB 3.74Å; R306-L359 HydrophobicContact CB-CD1 4.15Å; R306-L359 VanDerWaalsContact CD-C 3.48Å; R306-L359 WeakPolarHBondContact CD-O 3.38Å; R306-L359 HydrophobicContact CG-CB 4.49Å; R306-Q360 VanDerWaalsContact NH2-CG 3.25Å
307	Q	97.8	Very high	97.2	Very high	104 Å²	104	69.8 Å²	69.8	49%	0.486	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	136.8	172.4	-168.9	174.2	-52.7	0	0	110.8	H290 V291	H290-Q307 WeakPolarHBondContact CE1-CG 3.22Å; H290-Q307 PolarHBondContact CE1-NE2 2.81Å; H290-Q307 VanDerWaalsContact ND1-CG 3.27Å; H290-Q307 WeakPolarHBondContact ND1-CG 3.11Å; V291-Q307 HydrophobicContact CG2-CB 4.49Å
308	L	97.4	Very high	97.3	Very high	3 Å²	3	71.3 Å²	71.3	2%	0.016	36%	0.363	C	S	.	.			trans	-88.9	113.7	170.6	-163.1	65.2	0	0	0	108	H290 I292 Y310 A311 I327 A338 Y340 L354 I361	H290-L308 PolarHBondContact ND1-O 3.34Å; H290-L308 WeakPolarHBondContact O-CB 3.47Å; H290-L308 PolarHBondContact O-N 2.91Å; I292-L308 HydrophobicContact CD1-CB 4.34Å; I292-L308 HydrophobicContact CD1-CD1 3.99Å; I292-L308 HydrophobicContact CD1-CD2 4.21Å; I292-L308 HydrophobicContact CD1-CG 4.43Å; L308-Y310 PolarHBondContact O-N 3.03Å; L308-A311 HydrophobicContact CB-CB 4.01Å; L308-A311 HydrophobicContact CD2-CB 3.87Å; L308-A311 HydrophobicContact CG-CB 3.98Å; L308-A311 PolarHBondContact O-N 2.93Å; L308-I327 HydrophobicContact CD2-CD1 4.19Å; L308-I327 HydrophobicContact CD2-CG1 4.24Å; L308-I327 HydrophobicContact CD2-CG2 3.93Å; L308-A338 HydrophobicContact CD1-CB 4.37Å; L308-A338 HydrophobicContact CD2-CB 4.16Å; L308-Y340 HydrophobicContact CD1-CE1 4.12Å; L308-Y340 HydrophobicContact CD2-CD1 3.47Å; L308-Y340 VanDerWaalsContact CD2-CD1 3.47Å; L308-Y340 HydrophobicContact CD2-CD2 4.06Å; L308-Y340 HydrophobicContact CD2-CE1 3.71Å; L308-Y340 HydrophobicContact CD2-CE2 4.23Å; L308-Y340 HydrophobicContact CD2-CG 3.65Å; L308-Y340 HydrophobicContact CG-CD1 4.28Å; L308-Y340 HydrophobicContact CG-CE1 4.03Å; L308-Y340 HydrophobicContact CG-CE2 4.22Å; L308-L354 HydrophobicContact CD1-CD2 4.44Å; L308-I361 HydrophobicContact CD1-CD1 4.08Å; L308-I361 HydrophobicContact CD1-CG1 4.3Å
309	D	93.8	Very high	97.5	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.444	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	130.1	-169.5	-64.1	-34.8	0	0	0	111.5	A311	D309-A311 PolarHBondContact O-N 3.47Å
310	Y	97.4	Very high	97.6	Very high	161 Å²	161	58.6 Å²	58.6	63%	0.631	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	5.1	178.4	-44.7	-72	0	0	0	116.8	L308 G312 T342	L308-Y310 PolarHBondContact O-N 3.03Å; Y310-G312 PolarHBondContact O-N 2.9Å; Y310-T342 WeakPolarHBondContact O-CB 3.4Å; Y310-T342 WeakPolarHBondContact O-CG2 3.43Å
311	A	98.6	Very high	97.7	Very high	5 Å²	5	56.1 Å²	56.1	4%	0.041	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-64.1	130.9	178.7	0	0	0	0	0	110.8	H290 L308 D309 I327 Y340	H290-A311 HydrophobicContact CB-CB 4.08Å; L308-A311 HydrophobicContact CB-CB 4.01Å; L308-A311 HydrophobicContact CD2-CB 3.87Å; L308-A311 HydrophobicContact CG-CB 3.98Å; L308-A311 PolarHBondContact O-N 2.93Å; D309-A311 PolarHBondContact O-N 3.47Å; A311-I327 HydrophobicContact CB-CD1 4.05Å; A311-I327 HydrophobicContact CB-CG1 4.3Å; A311-Y340 HydrophobicContact CB-CD2 3.4Å; A311-Y340 HydrophobicContact CB-CE2 3.86Å; A311-Y340 HydrophobicContact CB-CG 4.08Å
312	G	98.1	Very high	97.8	Very high	11 Å²	11	54.1 Å²	54.1	11%	0.113	28%	0.28	C	S	.	.			trans	-67.7	154.1	167.1	0	0	0	0	0	110.7	Y310 D326 A341	Y310-G312 PolarHBondContact O-N 2.9Å; G312-D326 WeakPolarHBondContact O-CB 3.47Å; G312-A341 PolarHBondContact N-O 3.09Å
313	F	98.3	Very high	97.8	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.338	27%	0.269	S	S	.	.			trans	-152.4	168.1	-179.4	63.4	-82.2	0	0	0	109.4	Q288 S289 H290 A316	Q288-F313 WeakPolarHBondContact O-CE2 3.46Å; S289-F313 WeakPolarHBondContact O-CB 3.36Å; H290-F313 HydrophobicContact CB-CB 4.23Å; H290-F313 HydrophobicContact CB-CD1 3.82Å; H290-F313 HydrophobicContact CB-CG 4.25Å; H290-F313 AromaticContact CD2-CD1 3.38Å; H290-F313 WeakPolarHBondContact CD2-CD1 3.07Å; H290-F313 AromaticContact CD2-CE1 3.25Å; H290-F313 WeakPolarHBondContact CD2-CE1 3.03Å; H290-F313 AromaticContact CG-CD1 3.85Å; H290-F313 AromaticContact NE2-CE1 3.88Å; F313-A316 WeakPolarHBondContact O-CB 3.2Å
314	N	96.9	Very high	97.9	Very high	71 Å²	71	49.6 Å²	49.6	38%	0.38	25%	0.254	S	S	.	.	S	Bend	trans	63.4	52.5	176.3	-164.8	49.1	0	0	0	112.8	A316 D326	N314-A316 VanDerWaalsContact C-N 3.27Å; N314-A316 PolarHBondContact O-N 3.26Å; N314-D326 PolarHBondContact N-OD2 3.27Å
315	N	97.5	Very high	97.9	Very high	61 Å²	61	45.6 Å²	45.6	33%	0.326	24%	0.237	S	C	.	.	S	Bend	trans	64.9	19	-177.2	-69.7	-35.4	0	0	0	115.3	H318 H324 D326	N315-H318 PolarHBondContact OD1-CD2 2.78Å; N315-H324 VanDerWaalsContact CG-CD2 3.45Å; N315-H324 PolarHBondContact ND2-CD2 2.82Å; N315-H324 PolarHBondContact ND2-NE2 3.14Å; N315-H324 VanDerWaalsContact ND2-NE2 3.18Å; N315-H324 VanDerWaalsContact OD1-CA 3.23Å; N315-H324 WeakPolarHBondContact OD1-CA 3.36Å; N315-H324 PolarHBondContact OD1-CD2 3.01Å; N315-H324 VanDerWaalsContact OD1-CD2 3.29Å; N315-H324 PolarHBondContact OD1-N 2.86Å; N315-D326 WeakPolarHBondContact CA-OD1 3.42Å; N315-D326 PolarHBondContact N-OD1 2.76Å; N315-D326 PolarHBondContact N-OD2 3.27Å
316	A	97.9	Very high	97.9	Very high	47 Å²	47	42.7 Å²	42.7	39%	0.388	22%	0.217	S	C	.	.	S	Bend	trans	-70.3	-45.8	174.5	0	0	0	0	0	111.9	F313 N314 D326	F313-A316 WeakPolarHBondContact O-CB 3.2Å; N314-A316 VanDerWaalsContact C-N 3.27Å; N314-A316 PolarHBondContact O-N 3.26Å; A316-D326 PolarHBondContact N-OD1 3.07Å
317	Y	98.5	Very high	97.9	Very high	36 Å²	36	38.4 Å²	38.4	14%	0.141	20%	0.2	C	C	.	.	S	Bend	trans	-135.5	44	-179.3	-57.8	-57.2	0	0	0	112	D326 A341 N343 G347 K371	Y317-D326 PolarHBondContact N-OD1 3.38Å; Y317-A341 HydrophobicContact CD1-CB 4.38Å; Y317-A341 HydrophobicContact CD2-CB 3.94Å; Y317-A341 WeakPolarHBondContact CD2-O 3.38Å; Y317-A341 HydrophobicContact CG-CB 3.78Å; Y317-N343 VanDerWaalsContact OH-CA 3.3Å; Y317-N343 WeakPolarHBondContact OH-CA 3.19Å; Y317-N343 PolarHBondContact OH-OD1 3.02Å; Y317-G347 VanDerWaalsContact CE1-CA 3.49Å; Y317-K371 VanDerWaalsContact O-CD 3.28Å; Y317-K371 WeakPolarHBondContact O-CD 3.33Å
318	H	98.6	Very high	98	Very high	46 Å²	46	33.6 Å²	33.6	21%	0.213	18%	0.178	C	C	.	.			trans	-57.4	159.7	169.4	55	20.2	0	0	0	112.4	N315 D326 R372	N315-H318 PolarHBondContact OD1-CD2 2.78Å; H318-D326 PolarHBondContact N-OD1 2.97Å; H318-D326 VanDerWaalsContact N-OD1 3.12Å; H318-R372 WeakPolarHBondContact O-CA 3.31Å; H318-R372 WeakPolarHBondContact O-CG 3.44Å
319	Y	98.9	Very high	98.1	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.178	C	C	.	.			trans	-62.2	170.6	162.1	-68.6	-56.4	0	0	0	111.6	W321 G322 S325 D328 K371 A374 G375 E376 S377	Y319-W321 PolarHBondContact O-N 3.46Å; Y319-W321 VanDerWaalsContact O-N 3.08Å; Y319-G322 PolarHBondContact O-N 2.91Å; Y319-S325 PolarHBondContact N-OG 3.25Å; Y319-D328 HydrophobicContact CE2-CB 4.04Å; Y319-D328 WeakPolarHBondContact CE2-OD2 3.5Å; Y319-D328 PolarHBondContact OH-OD2 2.96Å; Y319-K371 HydrophobicContact CD1-CG 3.92Å; Y319-K371 HydrophobicContact CE1-CD 4.45Å; Y319-K371 HydrophobicContact CE1-CG 3.94Å; Y319-A374 HydrophobicContact CD1-CB 3.85Å; Y319-A374 HydrophobicContact CE1-CB 4.14Å; Y319-G375 WeakPolarHBondContact CB-O 3.42Å; Y319-E376 VanDerWaalsContact CD2-OE1 3.28Å; Y319-E376 WeakPolarHBondContact CD2-OE1 3.29Å; Y319-E376 WeakPolarHBondContact CD2-OE2 3.28Å; Y319-E376 WeakPolarHBondContact CE2-OE2 3.44Å; Y319-S377 PolarHBondContact OH-OG 2.9Å
320	A	98.5	Very high	98.3	Very high	34 Å²	34	29.6 Å²	29.6	28%	0.281	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.2	-174.7	0	0	0	0	0	114.1	R372 A374 Y390	A320-R372 WeakPolarHBondContact CA-O 3.29Å; A320-R372 WeakPolarHBondContact CB-O 3.36Å; A320-A374 VanDerWaalsContact CB-O 3.26Å; A320-A374 WeakPolarHBondContact CB-O 3.3Å; A320-A374 PolarHBondContact N-O 2.95Å; A320-Y390 VanDerWaalsContact C-CE1 3.49Å; A320-Y390 HydrophobicContact CB-CD1 3.77Å; A320-Y390 HydrophobicContact CB-CE1 4.03Å; A320-Y390 VanDerWaalsContact O-CE1 3.23Å; A320-Y390 WeakPolarHBondContact O-CE1 3.44Å
321	W	98.2	Very high	98.3	Very high	24 Å²	24	22.1 Å²	22.1	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.8	176.5	67.9	-97.6	0	0	0	113.9	F218 Y240 T273 Y319 G323 G375 E376 Y390 S422	F218-W321 HydrophobicContact CD1-CE3 4.14Å; F218-W321 AromaticContact CD1-CZ3 3.95Å; F218-W321 HydrophobicContact CD1-CZ3 3.95Å; F218-W321 HydrophobicContact CE1-CE3 4.27Å; F218-W321 HydrophobicContact CE1-CZ3 4.41Å; F218-W321 HydrophobicContact CG-CZ3 4.47Å; Y240-W321 HydrophobicContact CD1-CZ3 4.21Å; Y240-W321 HydrophobicContact CG-CZ3 4.43Å; T273-W321 HydrophobicContact CG2-CH2 4.02Å; T273-W321 HydrophobicContact CG2-CZ2 4.35Å; T273-W321 VanDerWaalsContact OG1-CZ2 3.29Å; T273-W321 WeakPolarHBondContact OG1-CZ2 3.49Å; Y319-W321 PolarHBondContact O-N 3.46Å; Y319-W321 VanDerWaalsContact O-N 3.08Å; W321-G323 VanDerWaalsContact CZ3-CA 3.47Å; W321-G375 VanDerWaalsContact CD1-O 3.27Å; W321-E376 PolarHBondContact NE1-OE1 2.97Å; W321-Y390 HydrophobicContact CB-CD1 3.76Å; W321-Y390 HydrophobicContact CB-CD2 3.82Å; W321-Y390 HydrophobicContact CB-CE1 4.21Å; W321-Y390 HydrophobicContact CB-CE2 4.27Å; W321-Y390 HydrophobicContact CB-CG 3.54Å; W321-S422 VanDerWaalsContact CZ2-O 3.26Å; W321-S422 WeakPolarHBondContact CZ2-O 3.28Å
322	G	98.3	Very high	98.2	Very high	10 Å²	10	22.1 Å²	22.1	10%	0.103	13%	0.127	C	C	.	.			trans	84.7	-136.4	179.7	0	0	0	0	0	114.1	Y319 H324 S325	Y319-G322 PolarHBondContact O-N 2.91Å; G322-H324 PolarHBondContact O-N 3.06Å; G322-S325 WeakPolarHBondContact O-CB 3.38Å; G322-S325 PolarHBondContact O-OG 2.91Å
323	G	97.6	Very high	97.9	Very high	10 Å²	10	22.2 Å²	22.2	10%	0.103	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	36.2	170.3	0	0	0	0	0	116.8	Y240 G272 W321 S325	Y240-G323 WeakPolarHBondContact CB-O 3.35Å; Y240-G323 VanDerWaalsContact CD2-C 3.42Å; Y240-G323 VanDerWaalsContact CD2-CA 3.47Å; Y240-G323 WeakPolarHBondContact CD2-O 3.25Å; G272-G323 VanDerWaalsContact CA-O 3.32Å; G272-G323 WeakPolarHBondContact CA-O 3.42Å; W321-G323 VanDerWaalsContact CZ3-CA 3.47Å; G323-S325 PolarHBondContact O-N 2.94Å
324	H	98.3	Very high	97.5	Very high	18 Å²	18	19.8 Å²	19.8	8%	0.083	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	26.3	173.7	-57.1	-144.6	0	0	0	112.5	H241 G272 N315 G322 D326	H241-H324 AromaticContact CD2-CE1 3.69Å; H241-H324 AromaticContact CD2-NE2 3.95Å; G272-H324 WeakPolarHBondContact CA-O 3.37Å; G272-H324 PolarHBondContact N-O 2.94Å; N315-H324 VanDerWaalsContact CG-CD2 3.45Å; N315-H324 PolarHBondContact ND2-CD2 2.82Å; N315-H324 PolarHBondContact ND2-NE2 3.14Å; N315-H324 VanDerWaalsContact ND2-NE2 3.18Å; N315-H324 VanDerWaalsContact OD1-CA 3.23Å; N315-H324 WeakPolarHBondContact OD1-CA 3.36Å; N315-H324 PolarHBondContact OD1-CD2 3.01Å; N315-H324 VanDerWaalsContact OD1-CD2 3.29Å; N315-H324 PolarHBondContact OD1-N 2.86Å; G322-H324 PolarHBondContact O-N 3.06Å; H324-D326 PolarHBondContact O-N 3.16Å
325	S	98.6	Very high	97.4	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.021	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	37	177.8	56.8	0	0	0	0	112.5	Y319 G322 G323 K371	Y319-S325 PolarHBondContact N-OG 3.25Å; G322-S325 WeakPolarHBondContact O-CB 3.38Å; G322-S325 PolarHBondContact O-OG 2.91Å; G323-S325 PolarHBondContact O-N 2.94Å; S325-K371 PolarHBondContact O-NZ 3.41Å
326	D	98.8	Very high	97.4	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-39.2	-174.9	-57.3	-89.9	0	0	0	112.3	G312 N314 N315 A316 Y317 H318 H324 Y340 K371	G312-D326 WeakPolarHBondContact O-CB 3.47Å; N314-D326 PolarHBondContact N-OD2 3.27Å; N315-D326 WeakPolarHBondContact CA-OD1 3.42Å; N315-D326 PolarHBondContact N-OD1 2.76Å; N315-D326 PolarHBondContact N-OD2 3.27Å; A316-D326 PolarHBondContact N-OD1 3.07Å; Y317-D326 PolarHBondContact N-OD1 3.38Å; H318-D326 PolarHBondContact N-OD1 2.97Å; H318-D326 VanDerWaalsContact N-OD1 3.12Å; H324-D326 PolarHBondContact O-N 3.16Å; D326-Y340 WeakPolarHBondContact O-CA 3.34Å; D326-K371 VanDerWaalsContact O-CE 3.3Å; D326-K371 WeakPolarHBondContact O-CE 3.39Å
327	I	98.9	Very high	97.4	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	8%	0.076	C	C	.	.	S	Bend	trans	-120.1	125.4	-179	-61.8	169	0	0	0	107.8	N285 H290 L308 A311 L329	N285-I327 HydrophobicContact CB-CB 4.25Å; N285-I327 HydrophobicContact CB-CG2 4.45Å; H290-I327 HydrophobicContact CB-CD1 3.86Å; L308-I327 HydrophobicContact CD2-CD1 4.19Å; L308-I327 HydrophobicContact CD2-CG1 4.24Å; L308-I327 HydrophobicContact CD2-CG2 3.93Å; A311-I327 HydrophobicContact CB-CD1 4.05Å; A311-I327 HydrophobicContact CB-CG1 4.3Å; I327-L329 HydrophobicContact CG2-CD2 4.22Å
328	D	98.9	Very high	97.5	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.021	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.9	-175	-172.3	18.7	0	0	0	109.8	G274 Y319 M330 A338 V339	G274-D328 WeakPolarHBondContact CA-OD1 3.43Å; Y319-D328 HydrophobicContact CE2-CB 4.04Å; Y319-D328 WeakPolarHBondContact CE2-OD2 3.5Å; Y319-D328 PolarHBondContact OH-OD2 2.96Å; D328-M330 HydrophobicContact CB-CE 4.22Å; D328-M330 WeakPolarHBondContact OD2-CE 3.38Å; D328-A338 CarbonylContact O-C 3.59Å; D328-A338 WeakPolarHBondContact O-CA 3.09Å; D328-V339 HydrophobicContact CB-CB 4.33Å; D328-V339 PolarHBondContact N-O 2.84Å; D328-V339 PolarHBondContact O-N 3Å
329	L	98.9	Very high	97.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.1	-176.3	-55.4	175	0	0	0	108.8	G274 V276 I292 I327 W337 A338 L354	G274-L329 WeakPolarHBondContact O-CB 3.25Å; G274-L329 PolarHBondContact O-N 2.89Å; V276-L329 HydrophobicContact CG1-CB 3.94Å; I292-L329 HydrophobicContact CD1-CD2 3.69Å; I292-L329 HydrophobicContact CG1-CD1 4.43Å; I292-L329 HydrophobicContact CG1-CD2 4.16Å; I292-L329 HydrophobicContact CG2-CD1 3.82Å; I327-L329 HydrophobicContact CG2-CD2 4.22Å; L329-W337 WeakPolarHBondContact CA-O 3.38Å; L329-A338 HydrophobicContact CD2-CB 3.69Å; L329-L354 HydrophobicContact CD2-CD1 4.41Å
330	M	98.5	Very high	97.5	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.01	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.7	-173.4	59.5	-167.2	65.4	0	0	111.1	D328 W337 V339 M379 L384	D328-M330 HydrophobicContact CB-CE 4.22Å; D328-M330 WeakPolarHBondContact OD2-CE 3.38Å; M330-W337 HydrophobicContact CG-CB 3.96Å; M330-W337 PolarHBondContact N-O 2.73Å; M330-W337 VanDerWaalsContact N-O 3.09Å; M330-W337 PolarHBondContact O-N 2.58Å; M330-V339 HydrophobicContact CE-CB 3.75Å; M330-V339 HydrophobicContact CE-CG2 3.4Å; M330-V339 HydrophobicContact SD-CG2 3.59Å; M330-V339 VanDerWaalsContact SD-CG2 3.59Å; M330-M379 HydrophobicContact CG-CB 4.2Å; M330-M379 HydrophobicContact CG-CG 3.92Å; M330-M379 HydrophobicContact SD-CB 3.83Å; M330-M379 HydrophobicContact SD-CG 3.27Å; M330-M379 WeakPolarHBondContact SD-CG 3.34Å; M330-M379 PolarHBondContact SD-N 2.71Å; M330-L384 HydrophobicContact SD-CD1 4.45Å
331	V	98.3	Very high	97.5	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.024	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.4	-179.6	170.9	0	0	0	0	109.7	P225 V276 Y278 G335 L336 P428	P225-V331 HydrophobicContact CG-CG1 3.84Å; V276-V331 HydrophobicContact CB-CG2 4.5Å; V276-V331 HydrophobicContact CG1-CG2 4.17Å; V276-V331 HydrophobicContact CG2-CB 4.15Å; V276-V331 HydrophobicContact CG2-CG2 3.6Å; Y278-V331 HydrophobicContact CD2-CB 4.27Å; Y278-V331 HydrophobicContact CD2-CG1 3.64Å; Y278-V331 HydrophobicContact CD2-CG2 3.66Å; Y278-V331 HydrophobicContact CE2-CG1 3.55Å; Y278-V331 HydrophobicContact CE2-CG2 4.23Å; Y278-V331 HydrophobicContact CG-CG2 3.86Å; V331-G335 WeakPolarHBondContact CA-O 3.15Å; V331-L336 HydrophobicContact CG2-CD1 3.9Å; V331-P428 HydrophobicContact CG1-CG 4.18Å
332	D	96.6	Very high	97.5	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.021	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	-169.8	168.9	77.9	-8.5	0	0	0	110	G334 G335 W337 M379 C381 G382 Y426	D332-G334 PolarHBondContact O-N 3.43Å; D332-G334 VanDerWaalsContact O-N 3.12Å; D332-G334 WeakPolarHBondContact OD1-CA 3.33Å; D332-G334 PolarHBondContact OD1-N 3.4Å; D332-G335 PolarHBondContact N-O 3.32Å; D332-G335 VanDerWaalsContact N-O 3.11Å; D332-G335 PolarHBondContact O-N 3.32Å; D332-G335 PolarHBondContact OD1-N 3.13Å; D332-W337 PolarHBondContact OD1-NE1 2.78Å; D332-M379 HydrophobicContact CB-CB 4.13Å; D332-C381 PolarHBondContact OD2-N 2.89Å; D332-G382 WeakPolarHBondContact OD2-CA 3.49Å; D332-G382 PolarHBondContact OD2-N 2.93Å; D332-Y426 HydrophobicContact CB-CD1 4.39Å
333	E	91.8	Very high	97.5	Very high	14 Å²	14	11.9 Å²	11.9	7%	0.065	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.1	177.3	-58.7	83	178.9	0	0	113.3	Q195 K196 C199 C381 Y426 P428	Q195-E333 HydrophobicContact CB-CG 4Å; K196-E333 WeakPolarHBondContact CE-O 3.32Å; K196-E333 HydrophobicContact CG-CB 3.99Å; K196-E333 WeakPolarHBondContact CG-O 3.34Å; C199-E333 VanDerWaalsContact SG-CD 3.58Å; C199-E333 VanDerWaalsContact SG-CG 3.59Å; E333-C381 WeakPolarHBondContact OE2-CA 3.21Å; E333-C381 PolarHBondContact OE2-N 2.67Å; E333-C381 PolarHBondContact OE2-SG 2.66Å; E333-C381 VanDerWaalsContact OE2-SG 3.33Å; E333-Y426 VanDerWaalsContact OE1-CE1 3.26Å; E333-Y426 WeakPolarHBondContact OE1-CE1 3.49Å; E333-Y426 PolarHBondContact OE1-OH 3.44Å; E333-P428 HydrophobicContact CG-CB 3.99Å
334	G	88.5	Confident	97.5	Very high	26 Å²	26	18 Å²	18	27%	0.268	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-11.4	175.7	0	0	0	0	0	114.6	D332 K353	D332-G334 PolarHBondContact O-N 3.43Å; D332-G334 VanDerWaalsContact O-N 3.12Å; D332-G334 WeakPolarHBondContact OD1-CA 3.33Å; D332-G334 PolarHBondContact OD1-N 3.4Å; G334-K353 WeakPolarHBondContact O-CE 2.92Å; G334-K353 PolarHBondContact O-NZ 2.91Å
335	G	94.3	Very high	97.5	Very high	10 Å²	10	18.5 Å²	18.5	10%	0.103	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.8	-145.5	176.9	0	0	0	0	0	113.8	V331 D332 W337	V331-G335 WeakPolarHBondContact CA-O 3.15Å; D332-G335 PolarHBondContact N-O 3.32Å; D332-G335 VanDerWaalsContact N-O 3.11Å; D332-G335 PolarHBondContact O-N 3.32Å; D332-G335 PolarHBondContact OD1-N 3.13Å; G335-W337 PolarHBondContact O-NE1 3.21Å
336	L	98.6	Very high	97.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.4	-174.4	-177.2	67.4	0	0	0	112.4	V276 Y283 V331 L354 P356 L359	V276-L336 HydrophobicContact CG1-CD1 3.6Å; Y283-L336 HydrophobicContact CD1-CD2 3.58Å; Y283-L336 HydrophobicContact CE1-CD2 3.55Å; Y283-L336 HydrophobicContact CG-CD2 4.18Å; V331-L336 HydrophobicContact CG2-CD1 3.9Å; L336-L354 HydrophobicContact CD2-CB 4.1Å; L336-L354 HydrophobicContact CD2-CD1 4.37Å; L336-L354 HydrophobicContact CG-CB 4.2Å; L336-L354 PolarHBondContact O-N 3.17Å; L336-P356 HydrophobicContact CB-CB 4.44Å; L336-P356 HydrophobicContact CD2-CB 4.33Å; L336-L359 HydrophobicContact CD2-CD2 4.45Å
337	W	98.8	Very high	97.4	Very high	6 Å²	6	22.7 Å²	22.7	2%	0.023	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.9	179.2	-55.1	87.3	0	0	0	111.8	L329 M330 D332 G335 I351 S352 K353 W365 M379 T402	L329-W337 WeakPolarHBondContact CA-O 3.38Å; M330-W337 HydrophobicContact CG-CB 3.96Å; M330-W337 PolarHBondContact N-O 2.73Å; M330-W337 VanDerWaalsContact N-O 3.09Å; M330-W337 PolarHBondContact O-N 2.58Å; D332-W337 PolarHBondContact OD1-NE1 2.78Å; G335-W337 PolarHBondContact O-NE1 3.21Å; W337-I351 HydrophobicContact CE3-CG2 3.77Å; W337-I351 HydrophobicContact CZ3-CG2 4.19Å; W337-S352 CarbonylContact C-O 3.49Å; W337-S352 WeakPolarHBondContact CA-O 3.16Å; W337-K353 HydrophobicContact CD2-CB 4.39Å; W337-K353 HydrophobicContact CD2-CG 4.39Å; W337-K353 HydrophobicContact CE3-CB 3.72Å; W337-K353 HydrophobicContact CE3-CG 4.17Å; W337-K353 HydrophobicContact CH2-CB 4.18Å; W337-K353 HydrophobicContact CH2-CD 3.87Å; W337-K353 HydrophobicContact CH2-CG 4.23Å; W337-K353 HydrophobicContact CZ2-CD 4.06Å; W337-K353 HydrophobicContact CZ2-CG 4.39Å; W337-K353 HydrophobicContact CZ3-CB 3.63Å; W337-K353 HydrophobicContact CZ3-CD 4.21Å; W337-K353 HydrophobicContact CZ3-CG 4.11Å; W337-W365 HydrophobicContact CE3-CZ3 4.35Å; W337-W365 HydrophobicContact CH2-CH2 4.16Å; W337-W365 HydrophobicContact CH2-CZ3 4.34Å; W337-W365 HydrophobicContact CZ3-CE3 4.24Å; W337-W365 AromaticContact CZ3-CH2 3.78Å; W337-W365 HydrophobicContact CZ3-CH2 3.78Å; W337-W365 AromaticContact CZ3-CZ3 3.5Å; W337-W365 HydrophobicContact CZ3-CZ3 3.5Å; W337-W365 VanDerWaalsContact CZ3-CZ3 3.5Å; W337-M379 HydrophobicContact CD2-CE 3.71Å; W337-M379 HydrophobicContact CE3-CE 3.85Å; W337-M379 HydrophobicContact CG-CE 4.22Å; W337-M379 HydrophobicContact CG-CG 4.36Å; W337-M379 HydrophobicContact CH2-CE 3.98Å; W337-M379 HydrophobicContact CZ2-CE 3.88Å; W337-M379 HydrophobicContact CZ3-CE 3.95Å; W337-T402 HydrophobicContact CH2-CG2 4.46Å; W337-T402 HydrophobicContact CZ3-CG2 4.2Å
338	A	98.9	Very high	97.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.2	166.8	0	0	0	0	0	109.9	I292 L308 D328 L329 Y340 I351 S352 L354	I292-A338 HydrophobicContact CD1-CB 4.42Å; L308-A338 HydrophobicContact CD1-CB 4.37Å; L308-A338 HydrophobicContact CD2-CB 4.16Å; D328-A338 CarbonylContact O-C 3.59Å; D328-A338 WeakPolarHBondContact O-CA 3.09Å; L329-A338 HydrophobicContact CD2-CB 3.69Å; A338-Y340 HydrophobicContact CB-CD1 4.28Å; A338-Y340 HydrophobicContact CB-CE1 4.47Å; A338-I351 CarbonylContact O-C 3.58Å; A338-S352 PolarHBondContact N-O 2.91Å; A338-S352 PolarHBondContact O-N 2.84Å; A338-L354 HydrophobicContact CB-CD1 3.87Å; A338-L354 HydrophobicContact CB-CG 4.25Å
339	V	98.9	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.8	174.8	178.3	0	0	0	0	108.4	D328 M330 I349 V350 L384	D328-V339 HydrophobicContact CB-CB 4.33Å; D328-V339 PolarHBondContact N-O 2.84Å; D328-V339 PolarHBondContact O-N 3Å; M330-V339 HydrophobicContact CE-CB 3.75Å; M330-V339 HydrophobicContact CE-CG2 3.4Å; M330-V339 HydrophobicContact SD-CG2 3.59Å; M330-V339 VanDerWaalsContact SD-CG2 3.59Å; V339-I349 HydrophobicContact CG1-CG2 3.6Å; V339-V350 WeakPolarHBondContact CA-O 3.27Å; V339-L384 HydrophobicContact CG1-CD1 4.42Å; V339-L384 HydrophobicContact CG2-CD1 3.81Å
340	Y	98.9	Very high	97.4	Very high	8 Å²	8	24.2 Å²	24.2	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	-172.4	-174.6	60.5	-76.2	0	0	0	109.4	L308 A311 D326 A338 T342 I349 V350 S352	L308-Y340 HydrophobicContact CD1-CE1 4.12Å; L308-Y340 HydrophobicContact CD2-CD1 3.47Å; L308-Y340 VanDerWaalsContact CD2-CD1 3.47Å; L308-Y340 HydrophobicContact CD2-CD2 4.06Å; L308-Y340 HydrophobicContact CD2-CE1 3.71Å; L308-Y340 HydrophobicContact CD2-CE2 4.23Å; L308-Y340 HydrophobicContact CD2-CG 3.65Å; L308-Y340 HydrophobicContact CG-CD1 4.28Å; L308-Y340 HydrophobicContact CG-CE1 4.03Å; L308-Y340 HydrophobicContact CG-CE2 4.22Å; A311-Y340 HydrophobicContact CB-CD2 3.4Å; A311-Y340 HydrophobicContact CB-CE2 3.86Å; A311-Y340 HydrophobicContact CB-CG 4.08Å; D326-Y340 WeakPolarHBondContact O-CA 3.34Å; A338-Y340 HydrophobicContact CB-CD1 4.28Å; A338-Y340 HydrophobicContact CB-CE1 4.47Å; Y340-T342 HydrophobicContact CD2-CG2 3.91Å; Y340-T342 HydrophobicContact CE2-CG2 3.57Å; Y340-I349 CarbonylContact O-C 3.52Å; Y340-I349 WeakPolarHBondContact O-CA 3.49Å; Y340-V350 HydrophobicContact CD2-CB 4.38Å; Y340-V350 HydrophobicContact CE1-CB 4.35Å; Y340-V350 HydrophobicContact CE1-CG1 4.02Å; Y340-V350 HydrophobicContact CE2-CB 4.17Å; Y340-V350 HydrophobicContact CE2-CG1 4.09Å; Y340-V350 PolarHBondContact N-O 2.86Å; Y340-V350 PolarHBondContact O-N 3.25Å; Y340-S352 WeakPolarHBondContact CE1-OG 3.36Å; Y340-S352 PolarHBondContact OH-OG 2.72Å
341	A	98.8	Very high	97.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.3	168.5	0	0	0	0	0	111.1	G312 Y317 N348 K371	G312-A341 PolarHBondContact N-O 3.09Å; Y317-A341 HydrophobicContact CD1-CB 4.38Å; Y317-A341 HydrophobicContact CD2-CB 3.94Å; Y317-A341 WeakPolarHBondContact CD2-O 3.38Å; Y317-A341 HydrophobicContact CG-CB 3.78Å; A341-N348 WeakPolarHBondContact CB-O 3.42Å; A341-K371 HydrophobicContact CB-CB 4.05Å; A341-K371 HydrophobicContact CB-CD 4.18Å
342	T	98.6	Very high	97.4	Very high	9 Å²	9	24 Å²	24	6%	0.055	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-128.6	155.2	-178.7	71.4	0	0	0	0	110.1	Y310 Y340 Q344 N345 G347 V350	Y310-T342 WeakPolarHBondContact O-CB 3.4Å; Y310-T342 WeakPolarHBondContact O-CG2 3.43Å; Y340-T342 HydrophobicContact CD2-CG2 3.91Å; Y340-T342 HydrophobicContact CE2-CG2 3.57Å; T342-Q344 PolarHBondContact O-N 2.77Å; T342-N345 PolarHBondContact O-N 3.01Å; T342-N345 PolarHBondContact OG1-N 2.74Å; T342-N345 VanDerWaalsContact OG1-N 3.14Å; T342-G347 PolarHBondContact O-N 3.31Å; T342-V350 HydrophobicContact CG2-CG2 4.18Å
343	N	98	Very high	97.5	Very high	130 Å²	130	26.5 Å²	26.5	70%	0.695	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.8	172.3	-172	60.3	0	0	0	112	Y317 N345 A346	Y317-N343 VanDerWaalsContact OH-CA 3.3Å; Y317-N343 WeakPolarHBondContact OH-CA 3.19Å; Y317-N343 PolarHBondContact OH-OD1 3.02Å; N343-N345 VanDerWaalsContact C-N 3.28Å; N343-N345 PolarHBondContact O-N 3.42Å; N343-A346 PolarHBondContact O-N 3.36Å
344	Q	97	Very high	97.8	Very high	137 Å²	137	25.9 Å²	25.9	64%	0.64	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.5	178.7	-65.8	169.6	-11.6	0	0	112.3	T342 A346	T342-Q344 PolarHBondContact O-N 2.77Å; Q344-A346 VanDerWaalsContact C-N 3.3Å
345	N	98	Very high	98.3	Very high	30 Å²	30	27 Å²	27	16%	0.16	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	24.5	174.3	-161.2	31.2	0	0	0	112.6	T342 N343 G347 N348 I349 V350 T366 T367	T342-N345 PolarHBondContact O-N 3.01Å; T342-N345 PolarHBondContact OG1-N 2.74Å; T342-N345 VanDerWaalsContact OG1-N 3.14Å; N343-N345 VanDerWaalsContact C-N 3.28Å; N343-N345 PolarHBondContact O-N 3.42Å; N345-G347 PolarHBondContact O-N 3.46Å; N345-G347 VanDerWaalsContact O-N 3.08Å; N345-N348 WeakPolarHBondContact ND2-CB 3.2Å; N345-N348 PolarHBondContact ND2-O 2.63Å; N345-N348 VanDerWaalsContact O-CB 3.29Å; N345-N348 WeakPolarHBondContact O-CB 3.38Å; N345-N348 PolarHBondContact O-N 2.79Å; N345-N348 PolarHBondContact O-ND2 2.74Å; N345-I349 PolarHBondContact ND2-O 2.94Å; N345-V350 HydrophobicContact CB-CG2 3.95Å; N345-T366 HydrophobicContact CB-CG2 4.46Å; N345-T367 PolarHBondContact ND2-O 3.41Å; N345-T367 VanDerWaalsContact ND2-O 3.14Å
346	A	98.1	Very high	98.4	Very high	82 Å²	82	28.2 Å²	28.2	68%	0.678	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	31.1	178.9	0	0	0	0	0	114.8	N343 Q344 N348	N343-A346 PolarHBondContact O-N 3.36Å; Q344-A346 VanDerWaalsContact C-N 3.3Å; A346-N348 PolarHBondContact O-N 3.03Å
347	G	98.1	Very high	98.2	Very high	8 Å²	8	33.3 Å²	33.3	8%	0.082	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	9.1	-177.5	0	0	0	0	0	114.9	Y317 T342 N345 K371	Y317-G347 VanDerWaalsContact CE1-CA 3.49Å; T342-G347 PolarHBondContact O-N 3.31Å; N345-G347 PolarHBondContact O-N 3.46Å; N345-G347 VanDerWaalsContact O-N 3.08Å; G347-K371 PolarHBondContact O-N 3.29Å; G347-K371 VanDerWaalsContact O-N 3.13Å
348	N	98.8	Very high	98.1	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	151.6	168.6	-62.7	-34.7	0	0	0	111	A341 N345 A346 V350 T367 H369 P370	A341-N348 WeakPolarHBondContact CB-O 3.42Å; N345-N348 WeakPolarHBondContact ND2-CB 3.2Å; N345-N348 PolarHBondContact ND2-O 2.63Å; N345-N348 VanDerWaalsContact O-CB 3.29Å; N345-N348 WeakPolarHBondContact O-CB 3.38Å; N345-N348 PolarHBondContact O-N 2.79Å; N345-N348 PolarHBondContact O-ND2 2.74Å; A346-N348 PolarHBondContact O-N 3.03Å; N348-V350 PolarHBondContact O-N 2.86Å; N348-T367 WeakPolarHBondContact CB-O 3.14Å; N348-H369 CarbonylContact C-O 3.56Å; N348-H369 WeakPolarHBondContact CA-O 3.2Å; N348-P370 WeakPolarHBondContact OD1-CA 3.13Å
349	I	98.9	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	133.9	-179.4	-69.7	161.9	0	0	0	110.2	V339 Y340 N345 I351 T367 H369 K371 A374 L384 V386	V339-I349 HydrophobicContact CG1-CG2 3.6Å; Y340-I349 CarbonylContact O-C 3.52Å; Y340-I349 WeakPolarHBondContact O-CA 3.49Å; N345-I349 PolarHBondContact ND2-O 2.94Å; I349-I351 HydrophobicContact CG2-CG1 4.25Å; I349-T367 HydrophobicContact CB-CG2 4.3Å; I349-T367 VanDerWaalsContact CB-OG1 3.31Å; I349-T367 WeakPolarHBondContact CB-OG1 3.45Å; I349-T367 HydrophobicContact CG2-CG2 4.1Å; I349-T367 PolarHBondContact N-OG1 2.93Å; I349-T367 WeakPolarHBondContact O-CB 3.28Å; I349-T367 WeakPolarHBondContact O-CG2 3.5Å; I349-T367 PolarHBondContact O-N 3.28Å; I349-T367 PolarHBondContact O-OG1 3.45Å; I349-H369 HydrophobicContact CD1-CB 4.38Å; I349-H369 PolarHBondContact N-O 3.14Å; I349-K371 HydrophobicContact CG1-CB 3.67Å; I349-K371 HydrophobicContact CG1-CD 4.33Å; I349-K371 HydrophobicContact CG1-CG 3.87Å; I349-A374 HydrophobicContact CD1-CB 4.28Å; I349-L384 HydrophobicContact CD1-CD2 4.5Å; I349-L384 HydrophobicContact CG2-CD2 3.69Å; I349-V386 HydrophobicContact CD1-CG1 4.36Å; I349-V386 HydrophobicContact CD1-CG2 4.01Å
350	V	98.9	Very high	98	Very high	6 Å²	6	40 Å²	40	4%	0.036	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.5	169.5	179.2	0	0	0	0	107.4	V339 Y340 T342 N345 N348 W365 T366	V339-V350 WeakPolarHBondContact CA-O 3.27Å; Y340-V350 HydrophobicContact CD2-CB 4.38Å; Y340-V350 HydrophobicContact CE1-CB 4.35Å; Y340-V350 HydrophobicContact CE1-CG1 4.02Å; Y340-V350 HydrophobicContact CE2-CB 4.17Å; Y340-V350 HydrophobicContact CE2-CG1 4.09Å; Y340-V350 PolarHBondContact N-O 2.86Å; Y340-V350 PolarHBondContact O-N 3.25Å; T342-V350 HydrophobicContact CG2-CG2 4.18Å; N345-V350 HydrophobicContact CB-CG2 3.95Å; N348-V350 PolarHBondContact O-N 2.86Å; V350-W365 WeakPolarHBondContact CA-O 3.45Å; V350-T366 HydrophobicContact CG2-CG2 4.39Å
351	I	98.8	Very high	97.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.4	176.9	-49.1	165.4	0	0	0	107	W337 A338 I349 S364 W365 T367 M379 L384 Y400 T402	W337-I351 HydrophobicContact CE3-CG2 3.77Å; W337-I351 HydrophobicContact CZ3-CG2 4.19Å; A338-I351 CarbonylContact O-C 3.58Å; I349-I351 HydrophobicContact CG2-CG1 4.25Å; I351-S364 CarbonylContact O-C 3.49Å; I351-S364 WeakPolarHBondContact O-CA 3.43Å; I351-W365 HydrophobicContact CB-CB 4.48Å; I351-W365 PolarHBondContact N-O 2.89Å; I351-W365 PolarHBondContact O-N 3.43Å; I351-T367 HydrophobicContact CD1-CG2 3.89Å; I351-T367 HydrophobicContact CG1-CG2 4.13Å; I351-M379 HydrophobicContact CG2-CE 4.39Å; I351-M379 HydrophobicContact CG2-SD 4.3Å; I351-L384 HydrophobicContact CD1-CB 3.64Å; I351-L384 HydrophobicContact CD1-CD2 3.75Å; I351-L384 HydrophobicContact CD1-CG 4.22Å; I351-L384 HydrophobicContact CG1-CB 4.49Å; I351-L384 HydrophobicContact CG1-CD2 3.94Å; I351-Y400 HydrophobicContact CD1-CD1 3.74Å; I351-Y400 HydrophobicContact CD1-CE1 4.31Å; I351-Y400 HydrophobicContact CD1-CG 4.36Å; I351-T402 HydrophobicContact CD1-CG2 4.04Å; I351-T402 HydrophobicContact CG2-CG2 4.37Å
352	S	98.8	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.2	173.3	-72.8	0	0	0	0	110.8	W337 A338 Y340 K363 S364	W337-S352 CarbonylContact C-O 3.49Å; W337-S352 WeakPolarHBondContact CA-O 3.16Å; A338-S352 PolarHBondContact N-O 2.91Å; A338-S352 PolarHBondContact O-N 2.84Å; Y340-S352 WeakPolarHBondContact CE1-OG 3.36Å; Y340-S352 PolarHBondContact OH-OG 2.72Å; S352-K363 CarbonylContact C-O 3.6Å; S352-K363 WeakPolarHBondContact CA-O 3.47Å; S352-S364 PolarHBondContact OG-OG 2.83Å
353	K	98.6	Very high	97.8	Very high	57 Å²	57	52 Å²	52	25%	0.248	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.2	170.6	-170.2	167.3	-172.7	155.5	0	109	G334 W337 I362 K363 W365	G334-K353 WeakPolarHBondContact O-CE 2.92Å; G334-K353 PolarHBondContact O-NZ 2.91Å; W337-K353 HydrophobicContact CD2-CB 4.39Å; W337-K353 HydrophobicContact CD2-CG 4.39Å; W337-K353 HydrophobicContact CE3-CB 3.72Å; W337-K353 HydrophobicContact CE3-CG 4.17Å; W337-K353 HydrophobicContact CH2-CB 4.18Å; W337-K353 HydrophobicContact CH2-CD 3.87Å; W337-K353 HydrophobicContact CH2-CG 4.23Å; W337-K353 HydrophobicContact CZ2-CD 4.06Å; W337-K353 HydrophobicContact CZ2-CG 4.39Å; W337-K353 HydrophobicContact CZ3-CB 3.63Å; W337-K353 HydrophobicContact CZ3-CD 4.21Å; W337-K353 HydrophobicContact CZ3-CG 4.11Å; K353-I362 HydrophobicContact CB-CB 4.42Å; K353-I362 HydrophobicContact CG-CD1 4.33Å; K353-I362 PolarHBondContact O-N 3.38Å; K353-K363 PolarHBondContact N-O 2.81Å; K353-W365 HydrophobicContact CB-CH2 4.17Å; K353-W365 HydrophobicContact CB-CZ3 3.92Å
354	L	98.5	Very high	97.8	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144	-176.8	-59.7	-174.9	0	0	0	111.4	I292 L308 L329 L336 A338 P356 Q360 I361	I292-L354 HydrophobicContact CD1-CD1 3.69Å; L308-L354 HydrophobicContact CD1-CD2 4.44Å; L329-L354 HydrophobicContact CD2-CD1 4.41Å; L336-L354 HydrophobicContact CD2-CB 4.1Å; L336-L354 HydrophobicContact CD2-CD1 4.37Å; L336-L354 HydrophobicContact CG-CB 4.2Å; L336-L354 PolarHBondContact O-N 3.17Å; A338-L354 HydrophobicContact CB-CD1 3.87Å; A338-L354 HydrophobicContact CB-CG 4.25Å; L354-P356 WeakPolarHBondContact O-CD 3.23Å; L354-Q360 WeakPolarHBondContact CA-O 3.34Å; L354-I361 HydrophobicContact CD2-CG1 3.82Å
355	N	97.6	Very high	97.9	Very high	50 Å²	50	43 Å²	43	27%	0.267	24%	0.237	S	C	.	.			trans	-74.9	119.6	163.8	-176.9	-61.6	0	0	0	108.9	N357 T358 L359 Q360 I362	N355-N357 PolarHBondContact O-N 2.9Å; N355-N357 VanDerWaalsContact O-N 3.13Å; N355-N357 WeakPolarHBondContact OD1-CA 3.42Å; N355-N357 WeakPolarHBondContact OD1-CB 3.26Å; N355-N357 PolarHBondContact OD1-N 2.81Å; N355-T358 WeakPolarHBondContact CB-OG1 3.42Å; N355-T358 PolarHBondContact O-N 3.27Å; N355-T358 PolarHBondContact OD1-N 3.35Å; N355-L359 WeakPolarHBondContact O-CA 3.23Å; N355-L359 PolarHBondContact O-N 2.69Å; N355-Q360 PolarHBondContact N-O 3.13Å; N355-I362 HydrophobicContact CB-CD1 4.07Å; N355-I362 HydrophobicContact CB-CG1 4.2Å
356	P	96.1	Very high	97.9	Very high	34 Å²	34	45.8 Å²	45.8	22%	0.221	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.8	-174.3	27.4	-35.7	0	0	0	113.9	Y278 Y283 K294 L336 L354	Y278-P356 HydrophobicContact CD1-CB 4.06Å; Y278-P356 HydrophobicContact CE1-CB 3.89Å; Y278-P356 HydrophobicContact CE1-CG 4.19Å; Y283-P356 WeakPolarHBondContact CE1-O 3.48Å; Y283-P356 PolarHBondContact OH-O 3.49Å; K294-P356 WeakPolarHBondContact CD-O 3.27Å; K294-P356 PolarHBondContact NZ-O 2.84Å; K294-P356 VanDerWaalsContact NZ-O 3.13Å; L336-P356 HydrophobicContact CB-CB 4.44Å; L336-P356 HydrophobicContact CD2-CB 4.33Å; L354-P356 WeakPolarHBondContact O-CD 3.23Å
357	N	94.5	Very high	97.9	Very high	109 Å²	109	42.1 Å²	42.1	58%	0.583	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-41.2	178.7	-65.5	-33.3	0	0	0	112.3	K294 N355	K294-N357 PolarHBondContact NZ-OD1 2.72Å; N355-N357 PolarHBondContact O-N 2.9Å; N355-N357 VanDerWaalsContact O-N 3.13Å; N355-N357 WeakPolarHBondContact OD1-CA 3.42Å; N355-N357 WeakPolarHBondContact OD1-CB 3.26Å; N355-N357 PolarHBondContact OD1-N 2.81Å
358	T	96.5	Very high	97.8	Very high	45 Å²	45	44.4 Å²	44.4	28%	0.276	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-11.8	-175	69.9	0	0	0	0	114.1	R306 N355 Q360	R306-T358 PolarHBondContact NE-O 3.24Å; N355-T358 WeakPolarHBondContact CB-OG1 3.42Å; N355-T358 PolarHBondContact O-N 3.27Å; N355-T358 PolarHBondContact OD1-N 3.35Å; T358-Q360 PolarHBondContact O-N 3.49Å; T358-Q360 VanDerWaalsContact O-N 3.15Å; T358-Q360 WeakPolarHBondContact OG1-CB 3.4Å; T358-Q360 PolarHBondContact OG1-N 2.9Å; T358-Q360 PolarHBondContact OG1-OE1 2.87Å
359	L	98.2	Very high	97.8	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.227	C	C	.	.			trans	58.7	7.9	-168.6	-58.9	177.1	0	0	0	114.3	Y283 I292 K294 K304 R306 L336 N355	Y283-L359 HydrophobicContact CD1-CD2 3.69Å; Y283-L359 HydrophobicContact CE1-CD2 3.64Å; I292-L359 HydrophobicContact CB-CD1 4.47Å; I292-L359 HydrophobicContact CG2-CD1 4.11Å; I292-L359 HydrophobicContact CG2-CD2 4.18Å; K294-L359 HydrophobicContact CB-CD1 4.32Å; K304-L359 HydrophobicContact CB-CD1 3.96Å; K304-L359 HydrophobicContact CB-CG 4.23Å; K304-L359 HydrophobicContact CG-CD1 4Å; K304-L359 HydrophobicContact CG-CG 4.1Å; R306-L359 HydrophobicContact CB-CB 3.74Å; R306-L359 HydrophobicContact CB-CD1 4.15Å; R306-L359 VanDerWaalsContact CD-C 3.48Å; R306-L359 WeakPolarHBondContact CD-O 3.38Å; R306-L359 HydrophobicContact CG-CB 4.49Å; L336-L359 HydrophobicContact CD2-CD2 4.45Å; N355-L359 WeakPolarHBondContact O-CA 3.23Å; N355-L359 PolarHBondContact O-N 2.69Å
360	Q	97.4	Very high	97.8	Very high	97 Å²	97	45.6 Å²	45.6	45%	0.453	24%	0.244	S	C	.	.			trans	-64.8	140.3	178.7	-76.4	173.9	-34.6	0	0	110.9	R306 L354 N355 T358 I362	R306-Q360 VanDerWaalsContact NH2-CG 3.25Å; L354-Q360 WeakPolarHBondContact CA-O 3.34Å; N355-Q360 PolarHBondContact N-O 3.13Å; T358-Q360 PolarHBondContact O-N 3.49Å; T358-Q360 VanDerWaalsContact O-N 3.15Å; T358-Q360 WeakPolarHBondContact OG1-CB 3.4Å; T358-Q360 PolarHBondContact OG1-N 2.9Å; T358-Q360 PolarHBondContact OG1-OE1 2.87Å; Q360-I362 PolarHBondContact O-N 3.02Å
361	I	98.2	Very high	97.8	Very high	56 Å²	56	45.3 Å²	45.3	29%	0.287	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	118.7	167.8	-62.2	173.1	0	0	0	107.6	L308 L354 S364	L308-I361 HydrophobicContact CD1-CD1 4.08Å; L308-I361 HydrophobicContact CD1-CG1 4.3Å; L354-I361 HydrophobicContact CD2-CG1 3.82Å; I361-S364 VanDerWaalsContact CG2-OG 3.27Å; I361-S364 WeakPolarHBondContact CG2-OG 3.45Å
362	I	97.5	Very high	97.8	Very high	104 Å²	104	52.6 Å²	52.6	53%	0.533	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-45.9	174	-63.5	171.5	0	0	0	109.3	K353 N355 Q360	K353-I362 HydrophobicContact CB-CB 4.42Å; K353-I362 HydrophobicContact CG-CD1 4.33Å; K353-I362 PolarHBondContact O-N 3.38Å; N355-I362 HydrophobicContact CB-CD1 4.07Å; N355-I362 HydrophobicContact CB-CG1 4.2Å; Q360-I362 PolarHBondContact O-N 3.02Å
363	K	97.5	Very high	97.8	Very high	111 Å²	111	55.5 Å²	55.5	48%	0.483	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	151.2	179.3	-174.6	168.7	173.9	-171.9	0	109.9	S352 K353 W365	S352-K363 CarbonylContact C-O 3.6Å; S352-K363 WeakPolarHBondContact CA-O 3.47Å; K353-K363 PolarHBondContact N-O 2.81Å; K363-W365 HydrophobicContact CB-CH2 3.66Å; K363-W365 HydrophobicContact CB-CZ2 4.21Å; K363-W365 HydrophobicContact CB-CZ3 3.9Å; K363-W365 HydrophobicContact CD-CH2 3.79Å; K363-W365 HydrophobicContact CD-CZ2 3.42Å; K363-W365 VanDerWaalsContact CD-CZ2 3.42Å; K363-W365 HydrophobicContact CG-CD2 4.4Å; K363-W365 HydrophobicContact CG-CE3 4.36Å; K363-W365 HydrophobicContact CG-CH2 3.66Å; K363-W365 HydrophobicContact CG-CZ2 3.71Å; K363-W365 HydrophobicContact CG-CZ3 3.98Å; K363-W365 VanDerWaalsContact O-CZ3 3.26Å; K363-W365 WeakPolarHBondContact O-CZ3 3.4Å
364	S	98.3	Very high	97.8	Very high	55 Å²	55	52.8 Å²	52.8	39%	0.385	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153	176.2	-57.4	0	0	0	0	111.7	I351 S352 I361	I351-S364 CarbonylContact O-C 3.49Å; I351-S364 WeakPolarHBondContact O-CA 3.43Å; S352-S364 PolarHBondContact OG-OG 2.83Å; I361-S364 VanDerWaalsContact CG2-OG 3.27Å; I361-S364 WeakPolarHBondContact CG2-OG 3.45Å
365	W	98.5	Very high	97.8	Very high	23 Å²	23	52.7 Å²	52.7	9%	0.087	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.6	175.2	-61.3	-103.6	0	0	0	109.4	W337 V350 I351 K353 K363 Y400 T402	W337-W365 HydrophobicContact CE3-CZ3 4.35Å; W337-W365 HydrophobicContact CH2-CH2 4.16Å; W337-W365 HydrophobicContact CH2-CZ3 4.34Å; W337-W365 HydrophobicContact CZ3-CE3 4.24Å; W337-W365 AromaticContact CZ3-CH2 3.78Å; W337-W365 HydrophobicContact CZ3-CH2 3.78Å; W337-W365 AromaticContact CZ3-CZ3 3.5Å; W337-W365 HydrophobicContact CZ3-CZ3 3.5Å; W337-W365 VanDerWaalsContact CZ3-CZ3 3.5Å; V350-W365 WeakPolarHBondContact CA-O 3.45Å; I351-W365 HydrophobicContact CB-CB 4.48Å; I351-W365 PolarHBondContact N-O 2.89Å; I351-W365 PolarHBondContact O-N 3.43Å; K353-W365 HydrophobicContact CB-CH2 4.17Å; K353-W365 HydrophobicContact CB-CZ3 3.92Å; K363-W365 HydrophobicContact CB-CH2 3.66Å; K363-W365 HydrophobicContact CB-CZ2 4.21Å; K363-W365 HydrophobicContact CB-CZ3 3.9Å; K363-W365 HydrophobicContact CD-CH2 3.79Å; K363-W365 HydrophobicContact CD-CZ2 3.42Å; K363-W365 VanDerWaalsContact CD-CZ2 3.42Å; K363-W365 HydrophobicContact CG-CD2 4.4Å; K363-W365 HydrophobicContact CG-CE3 4.36Å; K363-W365 HydrophobicContact CG-CH2 3.66Å; K363-W365 HydrophobicContact CG-CZ2 3.71Å; K363-W365 HydrophobicContact CG-CZ3 3.98Å; K363-W365 VanDerWaalsContact O-CZ3 3.26Å; K363-W365 WeakPolarHBondContact O-CZ3 3.4Å; W365-Y400 HydrophobicContact CB-CE1 3.86Å; W365-Y400 HydrophobicContact CG-CE1 4.23Å; W365-T402 HydrophobicContact CD2-CG2 3.97Å; W365-T402 HydrophobicContact CE3-CG2 4.22Å; W365-T402 HydrophobicContact CG-CG2 4.24Å; W365-T402 PolarHBondContact NE1-O 3.15Å
366	T	97.7	Very high	97.8	Very high	87 Å²	87	50.5 Å²	50.5	53%	0.534	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.4	174.8	51.5	0	0	0	0	109.4	N345 V350	N345-T366 HydrophobicContact CB-CG2 4.46Å; V350-T366 HydrophobicContact CG2-CG2 4.39Å
367	T	98.3	Very high	97.9	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	173	173.2	79.4	0	0	0	0	110.4	N345 N348 I349 I351 H369 L384 Y400	N345-T367 PolarHBondContact ND2-O 3.41Å; N345-T367 VanDerWaalsContact ND2-O 3.14Å; N348-T367 WeakPolarHBondContact CB-O 3.14Å; I349-T367 HydrophobicContact CB-CG2 4.3Å; I349-T367 VanDerWaalsContact CB-OG1 3.31Å; I349-T367 WeakPolarHBondContact CB-OG1 3.45Å; I349-T367 HydrophobicContact CG2-CG2 4.1Å; I349-T367 PolarHBondContact N-OG1 2.93Å; I349-T367 WeakPolarHBondContact O-CB 3.28Å; I349-T367 WeakPolarHBondContact O-CG2 3.5Å; I349-T367 PolarHBondContact O-N 3.28Å; I349-T367 PolarHBondContact O-OG1 3.45Å; I351-T367 HydrophobicContact CD1-CG2 3.89Å; I351-T367 HydrophobicContact CG1-CG2 4.13Å; T367-H369 PolarHBondContact OG1-N 3.37Å; T367-L384 HydrophobicContact CG2-CD2 4.38Å; T367-Y400 HydrophobicContact CG2-CD1 4.26Å; T367-Y400 HydrophobicContact CG2-CD2 3.72Å; T367-Y400 HydrophobicContact CG2-CE2 4.15Å; T367-Y400 HydrophobicContact CG2-CG 3.82Å
368	N	97.1	Very high	98.1	Very high	55 Å²	55	43.7 Å²	43.7	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	18.5	173	68	-34.8	0	0	0	113.2	Y398 Y407	N368-Y398 WeakPolarHBondContact OD1-CE2 3.17Å; N368-Y398 PolarHBondContact OD1-OH 2.89Å; N368-Y407 WeakPolarHBondContact ND2-CE1 3.07Å; N368-Y407 VanDerWaalsContact ND2-CE2 3.33Å; N368-Y407 WeakPolarHBondContact ND2-CE2 3.32Å; N368-Y407 PolarHBondContact ND2-OH 2.66Å; N368-Y407 WeakPolarHBondContact OD1-CD1 3.42Å
369	H	98.4	Very high	98.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.6	-176.1	-169.6	-65	0	0	0	111.7	N348 I349 T367 K371 Y397 Y398	N348-H369 CarbonylContact C-O 3.56Å; N348-H369 WeakPolarHBondContact CA-O 3.2Å; I349-H369 HydrophobicContact CD1-CB 4.38Å; I349-H369 PolarHBondContact N-O 3.14Å; T367-H369 PolarHBondContact OG1-N 3.37Å; H369-K371 PolarHBondContact O-N 2.87Å; H369-Y397 PolarHBondContact CE1-OH 3.14Å; H369-Y397 VanDerWaalsContact CE1-OH 3.31Å; H369-Y397 AromaticContact NE2-CE1 3.37Å; H369-Y397 WeakPolarHBondContact NE2-CE1 3.42Å; H369-Y397 AromaticContact NE2-CZ 3.12Å; H369-Y397 PolarHBondContact NE2-OH 3.3Å; H369-Y398 HydrophobicContact CB-CD1 4.19Å; H369-Y398 HydrophobicContact CB-CD2 4.5Å; H369-Y398 HydrophobicContact CB-CE1 3.88Å; H369-Y398 HydrophobicContact CB-CE2 4.2Å; H369-Y398 HydrophobicContact CB-CG 4.48Å; H369-Y398 AromaticContact CD2-CD1 3.92Å; H369-Y398 AromaticContact CD2-CD2 3.83Å; H369-Y398 AromaticContact CD2-CG 3.58Å
370	P	98.6	Very high	98.1	Very high	55 Å²	55	41.5 Å²	41.5	36%	0.357	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	120.3	179.1	-20.4	32.3	0	0	0	112.6	N348 R372 S373 A374	N348-P370 WeakPolarHBondContact OD1-CA 3.13Å; P370-R372 PolarHBondContact O-N 2.98Å; P370-R372 VanDerWaalsContact O-N 3.16Å; P370-S373 WeakPolarHBondContact O-CB 3.17Å; P370-S373 PolarHBondContact O-N 3.18Å; P370-A374 PolarHBondContact O-N 3.16Å
371	K	98.8	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-59.7	-34.7	-176.7	-166.3	168.2	-170.4	-53	0	113.1	Y317 Y319 S325 D326 A341 G347 I349 H369 S373 A374	Y317-K371 VanDerWaalsContact O-CD 3.28Å; Y317-K371 WeakPolarHBondContact O-CD 3.33Å; Y319-K371 HydrophobicContact CD1-CG 3.92Å; Y319-K371 HydrophobicContact CE1-CD 4.45Å; Y319-K371 HydrophobicContact CE1-CG 3.94Å; S325-K371 PolarHBondContact O-NZ 3.41Å; D326-K371 VanDerWaalsContact O-CE 3.3Å; D326-K371 WeakPolarHBondContact O-CE 3.39Å; A341-K371 HydrophobicContact CB-CB 4.05Å; A341-K371 HydrophobicContact CB-CD 4.18Å; G347-K371 PolarHBondContact O-N 3.29Å; G347-K371 VanDerWaalsContact O-N 3.13Å; I349-K371 HydrophobicContact CG1-CB 3.67Å; I349-K371 HydrophobicContact CG1-CD 4.33Å; I349-K371 HydrophobicContact CG1-CG 3.87Å; H369-K371 PolarHBondContact O-N 2.87Å; K371-S373 PolarHBondContact O-N 2.91Å; K371-A374 WeakPolarHBondContact O-CB 3.26Å; K371-A374 PolarHBondContact O-N 3.08Å; K371-A374 VanDerWaalsContact O-N 3.14Å
372	R	98.6	Very high	97.7	Very high	153 Å²	153	35.5 Å²	35.5	58%	0.577	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-67.9	-15.9	176.8	-66.9	-169.4	-70.6	161.3	-3.4	114.2	H318 A320 P370	H318-R372 WeakPolarHBondContact O-CA 3.31Å; H318-R372 WeakPolarHBondContact O-CG 3.44Å; A320-R372 WeakPolarHBondContact CA-O 3.29Å; A320-R372 WeakPolarHBondContact CB-O 3.36Å; P370-R372 PolarHBondContact O-N 2.98Å; P370-R372 VanDerWaalsContact O-N 3.16Å
373	S	98.3	Very high	97.7	Very high	62 Å²	62	31.6 Å²	31.6	43%	0.434	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-95.9	-11.8	175.4	-60.5	0	0	0	0	112.6	P370 K371	P370-S373 WeakPolarHBondContact O-CB 3.17Å; P370-S373 PolarHBondContact O-N 3.18Å; K371-S373 PolarHBondContact O-N 2.91Å
374	A	98.6	Very high	97.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.			trans	-79.2	134.7	174.5	0	0	0	0	0	110.5	Y319 A320 I349 P370 K371 V386	Y319-A374 HydrophobicContact CD1-CB 3.85Å; Y319-A374 HydrophobicContact CE1-CB 4.14Å; A320-A374 VanDerWaalsContact CB-O 3.26Å; A320-A374 WeakPolarHBondContact CB-O 3.3Å; A320-A374 PolarHBondContact N-O 2.95Å; I349-A374 HydrophobicContact CD1-CB 4.28Å; P370-A374 PolarHBondContact O-N 3.16Å; K371-A374 WeakPolarHBondContact O-CB 3.26Å; K371-A374 PolarHBondContact O-N 3.08Å; K371-A374 VanDerWaalsContact O-N 3.14Å; A374-V386 HydrophobicContact CB-CG1 3.32Å
375	G	98.3	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-65.9	-52.6	170.6	0	0	0	0	0	112	Y319 W321 T387	Y319-G375 WeakPolarHBondContact CB-O 3.42Å; W321-G375 VanDerWaalsContact CD1-O 3.27Å; G375-T387 WeakPolarHBondContact CA-OG1 3.48Å; G375-T387 PolarHBondContact N-O 2.67Å
376	E	98.6	Very high	97.8	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	13%	0.125	C	C	.	.			trans	-162.9	167.5	178.9	-93	-54.5	152.6	0	0	107.9	Y319 W321 T387 I421 L424	Y319-E376 VanDerWaalsContact CD2-OE1 3.28Å; Y319-E376 WeakPolarHBondContact CD2-OE1 3.29Å; Y319-E376 WeakPolarHBondContact CD2-OE2 3.28Å; Y319-E376 WeakPolarHBondContact CE2-OE2 3.44Å; W321-E376 PolarHBondContact NE1-OE1 2.97Å; E376-T387 PolarHBondContact N-OG1 2.99Å; E376-T387 PolarHBondContact O-N 3.29Å; E376-T387 PolarHBondContact O-OG1 3.08Å; E376-I421 HydrophobicContact CG-CG2 4.33Å; E376-L424 HydrophobicContact CB-CB 3.96Å; E376-L424 HydrophobicContact CG-CB 4.13Å
377	S	98.7	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.1	172.4	73.6	0	0	0	0	112.8	Y319 Y385	Y319-S377 PolarHBondContact OH-OG 2.9Å; S377-Y385 CarbonylContact C-O 3.48Å; S377-Y385 WeakPolarHBondContact CA-O 3.46Å; S377-Y385 VanDerWaalsContact CB-O 3.23Å; S377-Y385 WeakPolarHBondContact CB-O 3.48Å
378	F	98.8	Very high	97.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.6	178.6	54.6	-91.3	0	0	0	110.7	L202 I380 Y385 V396 L424 L433	L202-F378 HydrophobicContact CD2-CE2 3.98Å; L202-F378 HydrophobicContact CD2-CZ 3.88Å; F378-I380 HydrophobicContact CD2-CD1 3.98Å; F378-I380 HydrophobicContact CD2-CG1 3.9Å; F378-I380 HydrophobicContact CE2-CD1 3.67Å; F378-I380 HydrophobicContact CE2-CG1 4.07Å; F378-Y385 HydrophobicContact CD2-CD2 4.25Å; F378-Y385 AromaticContact CE2-CD2 3.87Å; F378-Y385 HydrophobicContact CE2-CD2 3.87Å; F378-Y385 AromaticContact CE2-CG 3.87Å; F378-Y385 HydrophobicContact CE2-CG 3.87Å; F378-Y385 HydrophobicContact CZ-CG 4.26Å; F378-Y385 PolarHBondContact N-O 3.09Å; F378-Y385 PolarHBondContact O-N 2.63Å; F378-V396 HydrophobicContact CE1-CG2 4.1Å; F378-V396 HydrophobicContact CZ-CG2 3.93Å; F378-L424 HydrophobicContact CD1-CD2 3.75Å; F378-L424 HydrophobicContact CD1-CG 4Å; F378-L424 HydrophobicContact CE1-CD2 3.72Å; F378-L424 HydrophobicContact CE1-CG 4.36Å; F378-L433 HydrophobicContact CB-CD2 4.4Å; F378-L433 HydrophobicContact CD1-CD1 4.47Å; F378-L433 HydrophobicContact CD1-CD2 4.09Å; F378-L433 HydrophobicContact CD2-CD2 3.62Å; F378-L433 HydrophobicContact CE1-CD1 3.93Å; F378-L433 HydrophobicContact CE1-CD2 4.26Å; F378-L433 HydrophobicContact CE2-CD1 4.26Å; F378-L433 HydrophobicContact CE2-CD2 3.8Å; F378-L433 HydrophobicContact CG-CD2 3.77Å; F378-L433 HydrophobicContact CZ-CD1 3.81Å; F378-L433 HydrophobicContact CZ-CD2 4.12Å
379	M	98.4	Very high	97.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.1	177.7	-72.1	-76.8	-67.4	0	0	110.5	M330 D332 W337 I351 T383 L384 T402 Y426	M330-M379 HydrophobicContact CG-CB 4.2Å; M330-M379 HydrophobicContact CG-CG 3.92Å; M330-M379 HydrophobicContact SD-CB 3.83Å; M330-M379 HydrophobicContact SD-CG 3.27Å; M330-M379 WeakPolarHBondContact SD-CG 3.34Å; M330-M379 PolarHBondContact SD-N 2.71Å; D332-M379 HydrophobicContact CB-CB 4.13Å; W337-M379 HydrophobicContact CD2-CE 3.71Å; W337-M379 HydrophobicContact CE3-CE 3.85Å; W337-M379 HydrophobicContact CG-CE 4.22Å; W337-M379 HydrophobicContact CG-CG 4.36Å; W337-M379 HydrophobicContact CH2-CE 3.98Å; W337-M379 HydrophobicContact CZ2-CE 3.88Å; W337-M379 HydrophobicContact CZ3-CE 3.95Å; I351-M379 HydrophobicContact CG2-CE 4.39Å; I351-M379 HydrophobicContact CG2-SD 4.3Å; M379-T383 WeakPolarHBondContact CA-O 2.99Å; M379-L384 HydrophobicContact CG-CD1 4.16Å; M379-L384 WeakPolarHBondContact SD-CA 3.29Å; M379-L384 HydrophobicContact SD-CB 3.58Å; M379-L384 VanDerWaalsContact SD-CB 3.58Å; M379-L384 HydrophobicContact SD-CD1 3.88Å; M379-L384 HydrophobicContact SD-CG 4.38Å; M379-L384 PolarHBondContact SD-N 2.87Å; M379-L384 VanDerWaalsContact SD-N 3.43Å; M379-T402 HydrophobicContact CE-CG2 4.19Å; M379-Y426 WeakPolarHBondContact O-CB 3.36Å; M379-Y426 WeakPolarHBondContact O-CD1 3.5Å
380	I	96.6	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126	166.9	-55	179.3	0	0	0	106.8	L202 F378 G382 T383 Y385 Y426 V446 L448	L202-I380 HydrophobicContact CD1-CD1 4.25Å; F378-I380 HydrophobicContact CD2-CD1 3.98Å; F378-I380 HydrophobicContact CD2-CG1 3.9Å; F378-I380 HydrophobicContact CE2-CD1 3.67Å; F378-I380 HydrophobicContact CE2-CG1 4.07Å; I380-G382 VanDerWaalsContact C-N 3.26Å; I380-G382 PolarHBondContact O-N 3.47Å; I380-G382 VanDerWaalsContact O-N 3.17Å; I380-T383 PolarHBondContact N-O 2.87Å; I380-T383 PolarHBondContact O-N 2.92Å; I380-Y385 HydrophobicContact CB-CD2 4.34Å; I380-Y385 HydrophobicContact CB-CE2 3.96Å; I380-Y385 HydrophobicContact CG1-CD2 4.35Å; I380-Y385 HydrophobicContact CG1-CE2 4.39Å; I380-Y426 HydrophobicContact CB-CD1 4.43Å; I380-Y426 HydrophobicContact CB-CE1 4.33Å; I380-Y426 HydrophobicContact CD1-CD2 3.87Å; I380-Y426 HydrophobicContact CD1-CE2 4.03Å; I380-Y426 HydrophobicContact CD1-CG 4.24Å; I380-Y426 HydrophobicContact CG1-CD1 3.83Å; I380-Y426 HydrophobicContact CG1-CD2 3.82Å; I380-Y426 HydrophobicContact CG1-CE1 4.07Å; I380-Y426 HydrophobicContact CG1-CE2 4.08Å; I380-Y426 HydrophobicContact CG1-CG 3.68Å; I380-Y426 HydrophobicContact CG2-CE1 4.03Å; I380-Y426 HydrophobicContact CG2-CE2 4.46Å; I380-V446 HydrophobicContact CD1-CG1 4.42Å; I380-V446 HydrophobicContact CD1-CG2 4.42Å; I380-L448 HydrophobicContact CD1-CD2 4.23Å; I380-L448 HydrophobicContact CG2-CD1 3.86Å; I380-L448 HydrophobicContact CG2-CD2 3.93Å
381	C	92.1	Very high	97.5	Very high	22 Å²	22	22.9 Å²	22.9	15%	0.149	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	40.8	173.6	-60.7	0	0	0	0	114.5	C199 D332 E333 T383	C199-C381 WeakPolarHBondContact CA-SG 3.3Å; C199-C381 HydrophobicContact CB-CB 3.54Å; C199-C381 WeakPolarHBondContact CB-SG 3.28Å; C199-C381 VanDerWaalsContact SG-CA 3.59Å; C199-C381 WeakPolarHBondContact SG-CB 3.26Å; C199-C381 CovalentContact SG-SG 2.03Å; C199-C381 PolarHBondContact SG-SG 2.85Å; D332-C381 PolarHBondContact OD2-N 2.89Å; E333-C381 WeakPolarHBondContact OE2-CA 3.21Å; E333-C381 PolarHBondContact OE2-N 2.67Å; E333-C381 PolarHBondContact OE2-SG 2.66Å; E333-C381 VanDerWaalsContact OE2-SG 3.33Å; C381-T383 PolarHBondContact O-N 3.28Å
382	G	94.3	Very high	97.1	Very high	6 Å²	6	25.4 Å²	25.4	6%	0.062	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	11	-179	0	0	0	0	0	114.7	D332 I380 T402	D332-G382 WeakPolarHBondContact OD2-CA 3.49Å; D332-G382 PolarHBondContact OD2-N 2.93Å; I380-G382 VanDerWaalsContact C-N 3.26Å; I380-G382 PolarHBondContact O-N 3.47Å; I380-G382 VanDerWaalsContact O-N 3.17Å; G382-T402 VanDerWaalsContact O-CB 3.32Å; G382-T402 WeakPolarHBondContact O-CB 3.42Å; G382-T402 WeakPolarHBondContact O-CG2 3.32Å; G382-T402 PolarHBondContact O-N 3.28Å; G382-T402 PolarHBondContact O-OG1 3.35Å
383	T	97.4	Very high	96.8	Very high	22 Å²	22	21.6 Å²	21.6	14%	0.135	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.4	174.7	-58.5	0	0	0	0	110	M379 I380 C381 Y385 A399 Y400	M379-T383 WeakPolarHBondContact CA-O 2.99Å; I380-T383 PolarHBondContact N-O 2.87Å; I380-T383 PolarHBondContact O-N 2.92Å; C381-T383 PolarHBondContact O-N 3.28Å; T383-Y385 HydrophobicContact CG2-CD2 4.29Å; T383-Y385 HydrophobicContact CG2-CE1 4.13Å; T383-Y385 HydrophobicContact CG2-CE2 3.66Å; T383-Y385 WeakPolarHBondContact O-CD2 3.35Å; T383-Y385 WeakPolarHBondContact O-CE2 3.44Å; T383-A399 HydrophobicContact CG2-CB 4.09Å; T383-Y400 CarbonylContact C-O 3.53Å; T383-Y400 WeakPolarHBondContact CA-O 3.42Å
384	L	98.8	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126	173.3	-178.9	74.7	0	0	0	109.3	M330 V339 I349 I351 T367 M379 V386 A399 Y400	M330-L384 HydrophobicContact SD-CD1 4.45Å; V339-L384 HydrophobicContact CG1-CD1 4.42Å; V339-L384 HydrophobicContact CG2-CD1 3.81Å; I349-L384 HydrophobicContact CD1-CD2 4.5Å; I349-L384 HydrophobicContact CG2-CD2 3.69Å; I351-L384 HydrophobicContact CD1-CB 3.64Å; I351-L384 HydrophobicContact CD1-CD2 3.75Å; I351-L384 HydrophobicContact CD1-CG 4.22Å; I351-L384 HydrophobicContact CG1-CB 4.49Å; I351-L384 HydrophobicContact CG1-CD2 3.94Å; T367-L384 HydrophobicContact CG2-CD2 4.38Å; M379-L384 HydrophobicContact CG-CD1 4.16Å; M379-L384 WeakPolarHBondContact SD-CA 3.29Å; M379-L384 HydrophobicContact SD-CB 3.58Å; M379-L384 VanDerWaalsContact SD-CB 3.58Å; M379-L384 HydrophobicContact SD-CD1 3.88Å; M379-L384 HydrophobicContact SD-CG 4.38Å; M379-L384 PolarHBondContact SD-N 2.87Å; M379-L384 VanDerWaalsContact SD-N 3.43Å; L384-V386 HydrophobicContact CD2-CG2 3.8Å; L384-V386 HydrophobicContact CG-CG2 3.96Å; L384-A399 CarbonylContact O-C 3.57Å; L384-A399 WeakPolarHBondContact O-CA 3.21Å; L384-Y400 PolarHBondContact N-O 2.87Å; L384-Y400 PolarHBondContact O-N 2.8Å
385	Y	98.9	Very high	96.7	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.7	173.3	-67.8	-82.3	0	0	0	109.8	L202 S377 F378 I380 T383 V396 Y398 A399 I410	L202-Y385 HydrophobicContact CB-CD1 4.19Å; L202-Y385 HydrophobicContact CB-CE1 3.56Å; L202-Y385 HydrophobicContact CB-CE2 4.1Å; L202-Y385 VanDerWaalsContact CB-CZ 3.5Å; L202-Y385 HydrophobicContact CD2-CD1 4Å; L202-Y385 HydrophobicContact CD2-CE1 4.22Å; L202-Y385 HydrophobicContact CD2-CG 4.19Å; L202-Y385 PolarHBondContact N-OH 2.92Å; S377-Y385 CarbonylContact C-O 3.48Å; S377-Y385 WeakPolarHBondContact CA-O 3.46Å; S377-Y385 VanDerWaalsContact CB-O 3.23Å; S377-Y385 WeakPolarHBondContact CB-O 3.48Å; F378-Y385 HydrophobicContact CD2-CD2 4.25Å; F378-Y385 AromaticContact CE2-CD2 3.87Å; F378-Y385 HydrophobicContact CE2-CD2 3.87Å; F378-Y385 AromaticContact CE2-CG 3.87Å; F378-Y385 HydrophobicContact CE2-CG 3.87Å; F378-Y385 HydrophobicContact CZ-CG 4.26Å; F378-Y385 PolarHBondContact N-O 3.09Å; F378-Y385 PolarHBondContact O-N 2.63Å; I380-Y385 HydrophobicContact CB-CD2 4.34Å; I380-Y385 HydrophobicContact CB-CE2 3.96Å; I380-Y385 HydrophobicContact CG1-CD2 4.35Å; I380-Y385 HydrophobicContact CG1-CE2 4.39Å; T383-Y385 HydrophobicContact CG2-CD2 4.29Å; T383-Y385 HydrophobicContact CG2-CE1 4.13Å; T383-Y385 HydrophobicContact CG2-CE2 3.66Å; T383-Y385 WeakPolarHBondContact O-CD2 3.35Å; T383-Y385 WeakPolarHBondContact O-CE2 3.44Å; Y385-V396 HydrophobicContact CD1-CG1 3.91Å; Y385-V396 HydrophobicContact CG-CG1 4.28Å; Y385-Y398 WeakPolarHBondContact CA-O 3.33Å; Y385-A399 HydrophobicContact CD1-CB 3.94Å; Y385-A399 HydrophobicContact CE1-CB 3.85Å; Y385-I410 HydrophobicContact CD1-CD1 3.89Å; Y385-I410 HydrophobicContact CE1-CD1 4.06Å
386	V	98.9	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.1	-174.8	-176	0	0	0	0	110.1	I349 A374 L384 Y397 Y398	I349-V386 HydrophobicContact CD1-CG1 4.36Å; I349-V386 HydrophobicContact CD1-CG2 4.01Å; A374-V386 HydrophobicContact CB-CG1 3.32Å; L384-V386 HydrophobicContact CD2-CG2 3.8Å; L384-V386 HydrophobicContact CG-CG2 3.96Å; V386-Y397 HydrophobicContact CG1-CE1 4.41Å; V386-Y397 WeakPolarHBondContact O-CD1 3.2Å; V386-Y397 PolarHBondContact O-N 3.38Å; V386-Y398 HydrophobicContact CB-CD1 4.1Å; V386-Y398 HydrophobicContact CG2-CD1 3.76Å; V386-Y398 HydrophobicContact CG2-CE1 4.44Å; V386-Y398 PolarHBondContact N-O 2.67Å; V386-Y398 PolarHBondContact O-N 3.4Å
387	T	98.8	Very high	96.7	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	149.6	176.9	61.4	0	0	0	0	111.9	G375 E376 G389 K395 V396 Y397 L414 L424	G375-T387 WeakPolarHBondContact CA-OG1 3.48Å; G375-T387 PolarHBondContact N-O 2.67Å; E376-T387 PolarHBondContact N-OG1 2.99Å; E376-T387 PolarHBondContact O-N 3.29Å; E376-T387 PolarHBondContact O-OG1 3.08Å; T387-G389 VanDerWaalsContact C-N 3.25Å; T387-G389 PolarHBondContact O-N 2.86Å; T387-K395 CarbonylContact C-O 3.59Å; T387-K395 WeakPolarHBondContact CA-O 3.18Å; T387-V396 HydrophobicContact CG2-CG2 4.25Å; T387-Y397 WeakPolarHBondContact O-CE1 3.5Å; T387-L414 HydrophobicContact CG2-CD2 3.99Å; T387-L424 HydrophobicContact CG2-CD2 3.92Å
388	N	97.9	Very high	96.7	Very high	59 Å²	59	24.1 Å²	24.1	32%	0.316	16%	0.16	S	C	.	.	S	Bend	trans	-72.3	-14.1	-177.6	68.6	-33.5	0	0	0	114.7	G393 T394 K395 Y397	N388-G393 PolarHBondContact ND2-O 2.9Å; N388-G393 VanDerWaalsContact ND2-O 3.09Å; N388-T394 WeakPolarHBondContact OD1-CA 3.45Å; N388-K395 HydrophobicContact CB-CG 4.21Å; N388-K395 PolarHBondContact N-O 2.86Å; N388-K395 PolarHBondContact OD1-N 3.02Å; N388-K395 PolarHBondContact OD1-O 2.98Å; N388-K395 VanDerWaalsContact OD1-O 3.13Å; N388-Y397 VanDerWaalsContact CA-CD1 3.42Å; N388-Y397 HydrophobicContact CB-CD1 3.62Å; N388-Y397 HydrophobicContact CB-CE1 3.89Å; N388-Y397 HydrophobicContact CB-CG 3.99Å; N388-Y397 VanDerWaalsContact N-CD1 3.29Å
389	G	96	Very high	96.6	Very high	15 Å²	15	24.2 Å²	24.2	16%	0.155	16%	0.16	C	C	.	.			trans	174.5	174.9	-176.3	0	0	0	0	0	111.4	T387 T394	T387-G389 VanDerWaalsContact C-N 3.25Å; T387-G389 PolarHBondContact O-N 2.86Å; G389-T394 WeakPolarHBondContact O-CG2 3.43Å
390	Y	96.6	Very high	96.6	Very high	73 Å²	73	24.9 Å²	24.9	29%	0.286	16%	0.163	S	C	.	.	S	Bend	trans	-104.6	-9.5	-176.6	63.5	-89.9	0	0	0	113.2	A320 W321 N416 H420 I421	A320-Y390 VanDerWaalsContact C-CE1 3.49Å; A320-Y390 HydrophobicContact CB-CD1 3.77Å; A320-Y390 HydrophobicContact CB-CE1 4.03Å; A320-Y390 VanDerWaalsContact O-CE1 3.23Å; A320-Y390 WeakPolarHBondContact O-CE1 3.44Å; W321-Y390 HydrophobicContact CB-CD1 3.76Å; W321-Y390 HydrophobicContact CB-CD2 3.82Å; W321-Y390 HydrophobicContact CB-CE1 4.21Å; W321-Y390 HydrophobicContact CB-CE2 4.27Å; W321-Y390 HydrophobicContact CB-CG 3.54Å; Y390-N416 PolarHBondContact O-ND2 2.9Å; Y390-H420 AromaticContact CD2-CD2 3.55Å; Y390-H420 AromaticContact CD2-NE2 3.6Å; Y390-H420 AromaticContact CE2-CD2 3.69Å; Y390-H420 AromaticContact CE2-NE2 3.76Å; Y390-H420 CarbonylContact O-C 3.54Å; Y390-H420 WeakPolarHBondContact O-CA 3.3Å; Y390-I421 WeakPolarHBondContact CB-O 3.29Å; Y390-I421 PolarHBondContact O-N 2.82Å
391	S	94.6	Very high	96.6	Very high	59 Å²	59	25.9 Å²	25.9	41%	0.413	17%	0.17	S	C	.	.	S	Bend	trans	-139.6	159.2	-175.9	60.4	0	0	0	0	111.6	S419	S391-S419 VanDerWaalsContact CA-O 3.22Å; S391-S419 WeakPolarHBondContact CA-O 3.43Å; S391-S419 WeakPolarHBondContact CB-O 3.39Å
392	G	90.7	Very high	96.7	Very high	54 Å²	54	25 Å²	25	56%	0.557	16%	0.164	S	C	*	.	S	Bend	trans	71.5	-143.4	-179.6	0	0	0	0	0	113.5	T394	G392-T394 VanDerWaalsContact C-N 3.34Å; G392-T394 PolarHBondContact O-N 3Å
393	G	91.3	Very high	96.4	Very high	72 Å²	72	29.4 Å²	29.4	74%	0.742	19%	0.186	S	C	*	.	S	Bend	trans	-72.4	82.9	178.5	0	0	0	0	0	111.9	N388	N388-G393 PolarHBondContact ND2-O 2.9Å; N388-G393 VanDerWaalsContact ND2-O 3.09Å
394	T	96.9	Very high	95.8	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.049	19%	0.189	C	C	.	.			trans	-79.6	142.5	179.9	48.1	0	0	0	0	111.9	N388 G389 G392 L414 N416	N388-T394 WeakPolarHBondContact OD1-CA 3.45Å; G389-T394 WeakPolarHBondContact O-CG2 3.43Å; G392-T394 VanDerWaalsContact C-N 3.34Å; G392-T394 PolarHBondContact O-N 3Å; T394-L414 CarbonylContact C-O 3.57Å; T394-L414 CarbonylContact O-C 3.46Å; T394-L414 PolarHBondContact O-N 3.29Å; T394-L414 PolarHBondContact OG1-O 3.49Å; T394-N416 HydrophobicContact CG2-CB 4.01Å; T394-N416 WeakPolarHBondContact OG1-CB 3.44Å
395	K	97.9	Very high	95.5	Very high	61 Å²	61	32.5 Å²	32.5	27%	0.265	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	153.9	174.2	56.5	169.5	178.4	-168.9	0	110.4	T387 N388 D411 I412	T387-K395 CarbonylContact C-O 3.59Å; T387-K395 WeakPolarHBondContact CA-O 3.18Å; N388-K395 HydrophobicContact CB-CG 4.21Å; N388-K395 PolarHBondContact N-O 2.86Å; N388-K395 PolarHBondContact OD1-N 3.02Å; N388-K395 PolarHBondContact OD1-O 2.98Å; N388-K395 VanDerWaalsContact OD1-O 3.13Å; K395-D411 WeakPolarHBondContact CD-OD1 3.36Å; K395-D411 IonicContact NZ-OD1 2.62Å; K395-D411 PolarHBondContact NZ-OD1 3.05Å; K395-D411 IonicContact NZ-OD2 3.2Å; K395-D411 PolarHBondContact NZ-OD2 3.38Å; K395-I412 CarbonylContact C-O 3.59Å; K395-I412 VanDerWaalsContact CA-O 3.28Å; K395-I412 WeakPolarHBondContact CA-O 3.08Å; K395-I412 VanDerWaalsContact CB-O 3.31Å; K395-I412 WeakPolarHBondContact CB-O 3.41Å
396	V	98.6	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.8	162.8	-171	0	0	0	0	107.3	L202 I205 F378 Y385 T387 I410 I412	L202-V396 HydrophobicContact CD2-CG2 4.43Å; I205-V396 HydrophobicContact CD1-CG2 3.66Å; F378-V396 HydrophobicContact CE1-CG2 4.1Å; F378-V396 HydrophobicContact CZ-CG2 3.93Å; Y385-V396 HydrophobicContact CD1-CG1 3.91Å; Y385-V396 HydrophobicContact CG-CG1 4.28Å; T387-V396 HydrophobicContact CG2-CG2 4.25Å; V396-I410 HydrophobicContact CB-CD1 4.48Å; V396-I410 HydrophobicContact CG1-CD1 3.82Å; V396-I410 HydrophobicContact CG1-CG1 4.41Å; V396-I412 HydrophobicContact CB-CB 4.22Å; V396-I412 PolarHBondContact N-O 3.18Å; V396-I412 PolarHBondContact O-N 2.71Å
397	Y	97.8	Very high	95	Very high	50 Å²	50	40.4 Å²	40.4	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	-5.4	-171.5	86.9	-67.3	0	0	0	115.2	H369 V386 T387 N388 Y409 I410	H369-Y397 PolarHBondContact CE1-OH 3.14Å; H369-Y397 VanDerWaalsContact CE1-OH 3.31Å; H369-Y397 AromaticContact NE2-CE1 3.37Å; H369-Y397 WeakPolarHBondContact NE2-CE1 3.42Å; H369-Y397 AromaticContact NE2-CZ 3.12Å; H369-Y397 PolarHBondContact NE2-OH 3.3Å; V386-Y397 HydrophobicContact CG1-CE1 4.41Å; V386-Y397 WeakPolarHBondContact O-CD1 3.2Å; V386-Y397 PolarHBondContact O-N 3.38Å; T387-Y397 WeakPolarHBondContact O-CE1 3.5Å; N388-Y397 VanDerWaalsContact CA-CD1 3.42Å; N388-Y397 HydrophobicContact CB-CD1 3.62Å; N388-Y397 HydrophobicContact CB-CE1 3.89Å; N388-Y397 HydrophobicContact CB-CG 3.99Å; N388-Y397 VanDerWaalsContact N-CD1 3.29Å; Y397-Y409 HydrophobicContact CD2-CD1 4.02Å; Y397-Y409 HydrophobicContact CD2-CE1 4.28Å; Y397-Y409 HydrophobicContact CE2-CD1 4.3Å; Y397-Y409 HydrophobicContact CE2-CE1 4.08Å; Y397-Y409 CarbonylContact O-C 3.57Å; Y397-Y409 VanDerWaalsContact O-CA 3.29Å; Y397-Y409 WeakPolarHBondContact O-CA 3.47Å; Y397-Y409 WeakPolarHBondContact O-CD1 3.21Å; Y397-I410 WeakPolarHBondContact CA-O 3.23Å; Y397-I410 PolarHBondContact O-N 2.91Å
398	Y	98.6	Very high	94.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	135.2	178.8	174.6	-86.2	0	0	0	109.1	N368 H369 Y385 V386 Y400 Y407 Y409	N368-Y398 WeakPolarHBondContact OD1-CE2 3.17Å; N368-Y398 PolarHBondContact OD1-OH 2.89Å; H369-Y398 HydrophobicContact CB-CD1 4.19Å; H369-Y398 HydrophobicContact CB-CD2 4.5Å; H369-Y398 HydrophobicContact CB-CE1 3.88Å; H369-Y398 HydrophobicContact CB-CE2 4.2Å; H369-Y398 HydrophobicContact CB-CG 4.48Å; H369-Y398 AromaticContact CD2-CD1 3.92Å; H369-Y398 AromaticContact CD2-CD2 3.83Å; H369-Y398 AromaticContact CD2-CG 3.58Å; Y385-Y398 WeakPolarHBondContact CA-O 3.33Å; V386-Y398 HydrophobicContact CB-CD1 4.1Å; V386-Y398 HydrophobicContact CG2-CD1 3.76Å; V386-Y398 HydrophobicContact CG2-CE1 4.44Å; V386-Y398 PolarHBondContact N-O 2.67Å; V386-Y398 PolarHBondContact O-N 3.4Å; Y398-Y400 WeakPolarHBondContact OH-CD2 3.49Å; Y398-Y407 HydrophobicContact CD2-CD2 4.38Å; Y398-Y407 AromaticContact CE2-CD2 3.58Å; Y398-Y407 HydrophobicContact CE2-CD2 3.58Å; Y398-Y407 HydrophobicContact CE2-CE2 4.47Å; Y398-Y407 AromaticContact CE2-CG 3.82Å; Y398-Y407 HydrophobicContact CE2-CG 3.82Å; Y398-Y407 WeakPolarHBondContact OH-CB 3.2Å; Y398-Y409 HydrophobicContact CD2-CD1 4.23Å; Y398-Y409 AromaticContact CD2-CE1 3.93Å; Y398-Y409 HydrophobicContact CD2-CE1 3.93Å
399	A	98.4	Very high	94.6	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.1	174.4	0	0	0	0	0	109.9	T383 L384 Y385 Y407 E408 I410	T383-A399 HydrophobicContact CG2-CB 4.09Å; L384-A399 CarbonylContact O-C 3.57Å; L384-A399 WeakPolarHBondContact O-CA 3.21Å; Y385-A399 HydrophobicContact CD1-CB 3.94Å; Y385-A399 HydrophobicContact CE1-CB 3.85Å; A399-Y407 CarbonylContact O-C 3.52Å; A399-Y407 WeakPolarHBondContact O-CA 2.97Å; A399-Y407 WeakPolarHBondContact O-CB 3.23Å; A399-E408 HydrophobicContact CB-CG 4.08Å; A399-E408 PolarHBondContact N-O 2.86Å; A399-E408 PolarHBondContact O-N 2.82Å; A399-I410 HydrophobicContact CB-CD1 4.05Å
400	Y	98.4	Very high	94.5	Very high	15 Å²	15	49 Å²	49	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.1	173.7	-176	-76.7	0	0	0	109.7	I351 W365 T367 T383 L384 Y398 T402	I351-Y400 HydrophobicContact CD1-CD1 3.74Å; I351-Y400 HydrophobicContact CD1-CE1 4.31Å; I351-Y400 HydrophobicContact CD1-CG 4.36Å; W365-Y400 HydrophobicContact CB-CE1 3.86Å; W365-Y400 HydrophobicContact CG-CE1 4.23Å; T367-Y400 HydrophobicContact CG2-CD1 4.26Å; T367-Y400 HydrophobicContact CG2-CD2 3.72Å; T367-Y400 HydrophobicContact CG2-CE2 4.15Å; T367-Y400 HydrophobicContact CG2-CG 3.82Å; T383-Y400 CarbonylContact C-O 3.53Å; T383-Y400 WeakPolarHBondContact CA-O 3.42Å; L384-Y400 PolarHBondContact N-O 2.87Å; L384-Y400 PolarHBondContact O-N 2.8Å; Y398-Y400 WeakPolarHBondContact OH-CD2 3.49Å; Y400-T402 HydrophobicContact CD1-CG2 4.4Å; Y400-T402 HydrophobicContact CE1-CG2 4.46Å
401	S	95.8	Very high	94.5	Very high	22 Å²	22	50.4 Å²	50.4	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.5	176.5	175.2	0	0	0	0	110.2	N403 S404 S405 T406	S401-N403 VanDerWaalsContact C-N 3.27Å; S401-N403 PolarHBondContact O-N 3.02Å; S401-N403 PolarHBondContact OG-N 3.25Å; S401-S404 WeakPolarHBondContact CB-OG 3.45Å; S401-S404 PolarHBondContact OG-OG 3.13Å; S401-S405 WeakPolarHBondContact O-CA 3.42Å; S401-S405 PolarHBondContact O-N 3.15Å; S401-T406 PolarHBondContact N-O 2.96Å; S401-T406 PolarHBondContact O-N 3.33Å
402	T	94.1	Very high	94.7	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.3	177.4	63	0	0	0	0	112.8	W337 I351 W365 M379 G382 Y400	W337-T402 HydrophobicContact CH2-CG2 4.46Å; W337-T402 HydrophobicContact CZ3-CG2 4.2Å; I351-T402 HydrophobicContact CD1-CG2 4.04Å; I351-T402 HydrophobicContact CG2-CG2 4.37Å; W365-T402 HydrophobicContact CD2-CG2 3.97Å; W365-T402 HydrophobicContact CE3-CG2 4.22Å; W365-T402 HydrophobicContact CG-CG2 4.24Å; W365-T402 PolarHBondContact NE1-O 3.15Å; M379-T402 HydrophobicContact CE-CG2 4.19Å; G382-T402 VanDerWaalsContact O-CB 3.32Å; G382-T402 WeakPolarHBondContact O-CB 3.42Å; G382-T402 WeakPolarHBondContact O-CG2 3.32Å; G382-T402 PolarHBondContact O-N 3.28Å; G382-T402 PolarHBondContact O-OG1 3.35Å; Y400-T402 HydrophobicContact CD1-CG2 4.4Å; Y400-T402 HydrophobicContact CE1-CG2 4.46Å
403	N	87.6	Confident	95	Very high	98 Å²	98	50.2 Å²	50.2	52%	0.524	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-53.5	178.5	-73.8	-14.9	0	0	0	111.1	A145 S401	A145-N403 HydrophobicContact CB-CB 4.12Å; S401-N403 VanDerWaalsContact C-N 3.27Å; S401-N403 PolarHBondContact O-N 3.02Å; S401-N403 PolarHBondContact OG-N 3.25Å
404	S	85.4	Confident	95.3	Very high	28 Å²	28	47.1 Å²	47.1	20%	0.196	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.5	178.4	59.4	0	0	0	0	113.2	S401 T406	S401-S404 WeakPolarHBondContact CB-OG 3.45Å; S401-S404 PolarHBondContact OG-OG 3.13Å; S404-T406 PolarHBondContact O-N 2.86Å; S404-T406 PolarHBondContact OG-N 3.17Å; S404-T406 PolarHBondContact OG-OG1 3.48Å
405	S	92.8	Very high	95.3	Very high	59 Å²	59	51.4 Å²	51.4	41%	0.413	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.8	-170.3	-54.3	0	0	0	0	112.7	S401	S401-S405 WeakPolarHBondContact O-CA 3.42Å; S401-S405 PolarHBondContact O-N 3.15Å
406	T	90.4	Very high	95.2	Very high	55 Å²	55	49.5 Å²	49.5	34%	0.337	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	158.9	177.3	62.3	0	0	0	0	110.8	S401 S404	S401-T406 PolarHBondContact N-O 2.96Å; S401-T406 PolarHBondContact O-N 3.33Å; S404-T406 PolarHBondContact O-N 2.86Å; S404-T406 PolarHBondContact OG-N 3.17Å; S404-T406 PolarHBondContact OG-OG1 3.48Å
407	Y	95.6	Very high	95.2	Very high	113 Å²	113	54.3 Å²	54.3	44%	0.443	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.1	175.6	68	-88.1	0	0	0	111.6	N368 Y398 A399 Y409	N368-Y407 WeakPolarHBondContact ND2-CE1 3.07Å; N368-Y407 VanDerWaalsContact ND2-CE2 3.33Å; N368-Y407 WeakPolarHBondContact ND2-CE2 3.32Å; N368-Y407 PolarHBondContact ND2-OH 2.66Å; N368-Y407 WeakPolarHBondContact OD1-CD1 3.42Å; Y398-Y407 HydrophobicContact CD2-CD2 4.38Å; Y398-Y407 AromaticContact CE2-CD2 3.58Å; Y398-Y407 HydrophobicContact CE2-CD2 3.58Å; Y398-Y407 HydrophobicContact CE2-CE2 4.47Å; Y398-Y407 AromaticContact CE2-CG 3.82Å; Y398-Y407 HydrophobicContact CE2-CG 3.82Å; Y398-Y407 WeakPolarHBondContact OH-CB 3.2Å; A399-Y407 CarbonylContact O-C 3.52Å; A399-Y407 WeakPolarHBondContact O-CA 2.97Å; A399-Y407 WeakPolarHBondContact O-CB 3.23Å; Y407-Y409 HydrophobicContact CE2-CE2 4.14Å
408	E	94.1	Very high	95.2	Very high	83 Å²	83	54.2 Å²	54.2	39%	0.388	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153	172.8	59.3	-179.4	135.1	0	0	110.1	K201 A399 I410	K201-E408 VanDerWaalsContact CE-OE1 3.26Å; K201-E408 WeakPolarHBondContact CE-OE1 3.33Å; K201-E408 IonicContact NZ-OE1 3.26Å; K201-E408 PolarHBondContact NZ-OE1 2.8Å; K201-E408 IonicContact NZ-OE2 2.7Å; K201-E408 PolarHBondContact NZ-OE2 2.93Å; A399-E408 HydrophobicContact CB-CG 4.08Å; A399-E408 PolarHBondContact N-O 2.86Å; A399-E408 PolarHBondContact O-N 2.82Å; E408-I410 HydrophobicContact CG-CG2 3.93Å
409	Y	95.3	Very high	95	Very high	144 Å²	144	57.8 Å²	57.8	57%	0.565	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.2	167.8	-71	-84.3	0	0	0	108.8	Y397 Y398 Y407	Y397-Y409 HydrophobicContact CD2-CD1 4.02Å; Y397-Y409 HydrophobicContact CD2-CE1 4.28Å; Y397-Y409 HydrophobicContact CE2-CD1 4.3Å; Y397-Y409 HydrophobicContact CE2-CE1 4.08Å; Y397-Y409 CarbonylContact O-C 3.57Å; Y397-Y409 VanDerWaalsContact O-CA 3.29Å; Y397-Y409 WeakPolarHBondContact O-CA 3.47Å; Y397-Y409 WeakPolarHBondContact O-CD1 3.21Å; Y398-Y409 HydrophobicContact CD2-CD1 4.23Å; Y398-Y409 AromaticContact CD2-CE1 3.93Å; Y398-Y409 HydrophobicContact CD2-CE1 3.93Å; Y407-Y409 HydrophobicContact CE2-CE2 4.14Å
410	I	94.7	Very high	95	Very high	29 Å²	29	58 Å²	58	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	177.5	-177.9	59.2	174.6	0	0	0	110.1	Y385 V396 Y397 A399 E408 I412	Y385-I410 HydrophobicContact CD1-CD1 3.89Å; Y385-I410 HydrophobicContact CE1-CD1 4.06Å; V396-I410 HydrophobicContact CB-CD1 4.48Å; V396-I410 HydrophobicContact CG1-CD1 3.82Å; V396-I410 HydrophobicContact CG1-CG1 4.41Å; Y397-I410 WeakPolarHBondContact CA-O 3.23Å; Y397-I410 PolarHBondContact O-N 2.91Å; A399-I410 HydrophobicContact CB-CD1 4.05Å; E408-I410 HydrophobicContact CG-CG2 3.93Å; I410-I412 HydrophobicContact CD1-CD1 3.92Å; I410-I412 HydrophobicContact CD1-CG1 4.25Å
411	D	96.4	Very high	95	Very high	103 Å²	103	57.6 Å²	57.6	55%	0.551	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	83.5	176.7	-159.6	-18	0	0	0	109.7	K395	K395-D411 WeakPolarHBondContact CD-OD1 3.36Å; K395-D411 IonicContact NZ-OD1 2.62Å; K395-D411 PolarHBondContact NZ-OD1 3.05Å; K395-D411 IonicContact NZ-OD2 3.2Å; K395-D411 PolarHBondContact NZ-OD2 3.38Å
412	I	97.1	Very high	95.1	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.077	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	108.7	177.4	-55.2	178.9	0	0	0	107.9	L202 I205 K395 V396 I410	L202-I412 HydrophobicContact CB-CD1 4.25Å; L202-I412 HydrophobicContact CD2-CD1 4.07Å; L202-I412 HydrophobicContact CG-CD1 3.83Å; L202-I412 VanDerWaalsContact O-CD1 3.26Å; L202-I412 WeakPolarHBondContact O-CD1 3.3Å; I205-I412 HydrophobicContact CD1-CG2 4.21Å; I205-I412 HydrophobicContact CG1-CG2 4.01Å; K395-I412 CarbonylContact C-O 3.59Å; K395-I412 VanDerWaalsContact CA-O 3.28Å; K395-I412 WeakPolarHBondContact CA-O 3.08Å; K395-I412 VanDerWaalsContact CB-O 3.31Å; K395-I412 WeakPolarHBondContact CB-O 3.41Å; V396-I412 HydrophobicContact CB-CB 4.22Å; V396-I412 PolarHBondContact N-O 3.18Å; V396-I412 PolarHBondContact O-N 2.71Å; I410-I412 HydrophobicContact CD1-CD1 3.92Å; I410-I412 HydrophobicContact CD1-CG1 4.25Å
413	P	97.1	Very high	95.3	Very high	95 Å²	95	56.6 Å²	56.6	62%	0.617	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	140.7	178.4	-25.3	34.5	0	0	0	112.2
414	L	97.9	Very high	95.9	Very high	6 Å²	6	52 Å²	52	3%	0.031	27%	0.265	C	S	.	.			trans	-128.3	114.6	172.6	173.4	67.7	0	0	0	107.3	I205 T387 T394 N416 I421 L424 Y444	I205-L414 HydrophobicContact CD1-CB 4.45Å; I205-L414 HydrophobicContact CD1-CD1 4.08Å; I205-L414 HydrophobicContact CG2-CD1 3.8Å; T387-L414 HydrophobicContact CG2-CD2 3.99Å; T394-L414 CarbonylContact C-O 3.57Å; T394-L414 CarbonylContact O-C 3.46Å; T394-L414 PolarHBondContact O-N 3.29Å; T394-L414 PolarHBondContact OG1-O 3.49Å; L414-N416 PolarHBondContact O-N 3.41Å; L414-I421 HydrophobicContact CD2-CD1 3.97Å; L414-L424 HydrophobicContact CD2-CD2 3.78Å; L414-Y444 HydrophobicContact CD1-CD1 3.78Å; L414-Y444 HydrophobicContact CD1-CD2 4.35Å; L414-Y444 HydrophobicContact CD1-CE1 3.65Å; L414-Y444 HydrophobicContact CD1-CE2 4.25Å; L414-Y444 HydrophobicContact CD1-CG 4.13Å
415	Q	97.2	Very high	96.5	Very high	98 Å²	98	51.1 Å²	51.1	46%	0.458	26%	0.259	S	S	.	.			trans	-78	106.9	-177.3	-176.6	-176.1	14	0	0	111.6	D207 P208 K417 Y444	D207-Q415 PolarHBondContact OD1-OE1 2.85Å; P208-Q415 HydrophobicContact CG-CB 4.35Å; P208-Q415 HydrophobicContact CG-CG 4.28Å; Q415-K417 PolarHBondContact O-N 2.92Å; Q415-K417 VanDerWaalsContact O-N 3.13Å; Q415-Y444 WeakPolarHBondContact O-CE1 3.38Å; Q415-Y444 PolarHBondContact O-OH 3.1Å
416	N	97	Very high	96.8	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	24%	0.241	C	C	.	.			trans	-82	87.1	173.2	-177.2	-3.2	0	0	0	111.7	Y390 T394 L414 Y418 S419 H420 I421 N437	Y390-N416 PolarHBondContact O-ND2 2.9Å; T394-N416 HydrophobicContact CG2-CB 4.01Å; T394-N416 WeakPolarHBondContact OG1-CB 3.44Å; L414-N416 PolarHBondContact O-N 3.41Å; N416-Y418 VanDerWaalsContact C-N 3.34Å; N416-Y418 PolarHBondContact O-N 2.86Å; N416-S419 VanDerWaalsContact ND2-C 3.29Å; N416-S419 PolarHBondContact ND2-O 3.28Å; N416-S419 VanDerWaalsContact OD1-CA 3.25Å; N416-S419 WeakPolarHBondContact OD1-CA 3.38Å; N416-S419 PolarHBondContact OD1-N 2.87Å; N416-H420 PolarHBondContact OD1-N 2.77Å; N416-I421 HydrophobicContact CB-CD1 4.08Å; N416-I421 HydrophobicContact CB-CG1 4.48Å; N416-N437 PolarHBondContact OD1-ND2 2.79Å; N416-N437 PolarHBondContact OD1-OD1 3.17Å
417	K	97.2	Very high	97.1	Very high	101 Å²	101	46.5 Å²	46.5	44%	0.439	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-35.6	-174.7	-174.2	173.2	-179.2	-177.8	0	114	P208 T210 Q415 N437	P208-K417 HydrophobicContact CB-CB 4.36Å; P208-K417 HydrophobicContact CB-CD 4.42Å; P208-K417 HydrophobicContact CG-CB 3.75Å; P208-K417 HydrophobicContact CG-CD 4Å; P208-K417 HydrophobicContact CG-CG 4.44Å; T210-K417 PolarHBondContact OG1-NZ 3.02Å; Q415-K417 PolarHBondContact O-N 2.92Å; Q415-K417 VanDerWaalsContact O-N 3.13Å; K417-N437 PolarHBondContact N-OD1 3.38Å
418	Y	97.6	Very high	97	Very high	49 Å²	49	41.3 Å²	41.3	19%	0.192	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	27.5	-175.5	-54	-78.2	0	0	0	113.3	T210 N416 H420 N437 N438 H440 V442	T210-Y418 HydrophobicContact CG2-CE2 4.39Å; T210-Y418 WeakPolarHBondContact CG2-OH 3.4Å; T210-Y418 PolarHBondContact OG1-OH 3.17Å; N416-Y418 VanDerWaalsContact C-N 3.34Å; N416-Y418 PolarHBondContact O-N 2.86Å; Y418-H420 PolarHBondContact O-N 3.01Å; Y418-N437 WeakPolarHBondContact CB-O 3.49Å; Y418-N437 HydrophobicContact CD2-CB 4.09Å; Y418-N437 WeakPolarHBondContact CD2-OD1 3.39Å; Y418-N437 PolarHBondContact N-OD1 2.83Å; Y418-N438 VanDerWaalsContact O-CB 3.22Å; Y418-N438 WeakPolarHBondContact O-CB 3.46Å; Y418-N438 PolarHBondContact O-ND2 3.12Å; Y418-H440 AromaticContact CD1-CD2 3.58Å; Y418-H440 AromaticContact CD1-CE1 3.89Å; Y418-H440 AromaticContact CD1-CG 3.92Å; Y418-H440 AromaticContact CD1-NE2 3.58Å; Y418-H440 HydrophobicContact CD2-CB 3.64Å; Y418-H440 AromaticContact CD2-CD2 3.94Å; Y418-H440 AromaticContact CD2-CG 3.71Å; Y418-H440 AromaticContact CE1-CD2 3.87Å; Y418-H440 AromaticContact CE1-CE1 3.48Å; Y418-H440 VanDerWaalsContact CE1-CE1 3.48Å; Y418-H440 WeakPolarHBondContact CE1-CE1 3.36Å; Y418-H440 AromaticContact CE1-CG 3.83Å; Y418-H440 AromaticContact CE1-ND1 3.56Å; Y418-H440 AromaticContact CE1-NE2 3.67Å; Y418-H440 HydrophobicContact CE2-CB 3.58Å; Y418-H440 AromaticContact CE2-CG 3.61Å; Y418-H440 AromaticContact CE2-ND1 3.83Å; Y418-H440 HydrophobicContact CG-CB 4.22Å; Y418-H440 AromaticContact CG-CD2 3.6Å; Y418-H440 AromaticContact CG-CG 3.85Å; Y418-H440 AromaticContact CZ-CE1 3.83Å; Y418-H440 AromaticContact CZ-CG 3.66Å; Y418-H440 AromaticContact CZ-ND1 3.41Å; Y418-V442 HydrophobicContact CD2-CG2 4.14Å; Y418-V442 HydrophobicContact CE2-CG2 3.91Å
419	S	95.1	Very high	96.8	Very high	74 Å²	74	41.9 Å²	41.9	52%	0.517	21%	0.209	S	C	.	.	S	Bend	trans	58.4	-7.8	171.1	72.9	0	0	0	0	118.6	S391 N416	S391-S419 VanDerWaalsContact CA-O 3.22Å; S391-S419 WeakPolarHBondContact CA-O 3.43Å; S391-S419 WeakPolarHBondContact CB-O 3.39Å; N416-S419 VanDerWaalsContact ND2-C 3.29Å; N416-S419 PolarHBondContact ND2-O 3.28Å; N416-S419 VanDerWaalsContact OD1-CA 3.25Å; N416-S419 WeakPolarHBondContact OD1-CA 3.38Å; N416-S419 PolarHBondContact OD1-N 2.87Å
420	H	97.9	Very high	96.6	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.037	20%	0.2	C	C	.	.			trans	-145.4	106.3	-180	-173.8	-68.3	0	0	0	112.4	R217 F218 Y390 N416 Y418 N437 N438	R217-H420 PolarHBondContact NH2-CD2 3.5Å; F218-H420 AromaticContact CD1-CE1 3.82Å; F218-H420 AromaticContact CE1-CE1 3.42Å; F218-H420 VanDerWaalsContact CE1-CE1 3.42Å; F218-H420 WeakPolarHBondContact CE1-CE1 3.43Å; F218-H420 AromaticContact CE1-NE2 3.8Å; Y390-H420 AromaticContact CD2-CD2 3.55Å; Y390-H420 AromaticContact CD2-NE2 3.6Å; Y390-H420 AromaticContact CE2-CD2 3.69Å; Y390-H420 AromaticContact CE2-NE2 3.76Å; Y390-H420 CarbonylContact O-C 3.54Å; Y390-H420 WeakPolarHBondContact O-CA 3.3Å; N416-H420 PolarHBondContact OD1-N 2.77Å; Y418-H420 PolarHBondContact O-N 3.01Å; H420-N437 PolarHBondContact N-ND2 3.4Å; H420-N437 CarbonylContact O-C 3.59Å; H420-N437 VanDerWaalsContact O-CA 3.27Å; H420-N437 WeakPolarHBondContact O-CA 3.4Å; H420-N437 PolarHBondContact O-ND2 3.37Å; H420-N438 HydrophobicContact CB-CB 4.13Å; H420-N438 PolarHBondContact O-N 3.27Å
421	I	98.6	Very high	96.4	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.2	175	-61.4	172.1	0	0	0	108.8	E376 Y390 L414 N416 M423 L424	E376-I421 HydrophobicContact CG-CG2 4.33Å; Y390-I421 WeakPolarHBondContact CB-O 3.29Å; Y390-I421 PolarHBondContact O-N 2.82Å; L414-I421 HydrophobicContact CD2-CD1 3.97Å; N416-I421 HydrophobicContact CB-CD1 4.08Å; N416-I421 HydrophobicContact CB-CG1 4.48Å; I421-M423 WeakPolarHBondContact CG2-O 3.31Å; I421-L424 HydrophobicContact CG2-CB 4.24Å
422	S	98.3	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	0.5	178.3	63.8	0	0	0	0	114.1	T273 W321 W436	T273-S422 WeakPolarHBondContact CB-O 3.42Å; T273-S422 PolarHBondContact OG1-O 2.8Å; W321-S422 VanDerWaalsContact CZ2-O 3.26Å; W321-S422 WeakPolarHBondContact CZ2-O 3.28Å; S422-W436 PolarHBondContact N-O 2.89Å; S422-W436 PolarHBondContact OG-O 3.21Å
423	M	98.7	Very high	96.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	138.5	177	174.9	-102.6	171.7	0	0	107.3	G219 M222 I421 D425 A435 W436	G219-M423 WeakPolarHBondContact O-CB 3.22Å; M222-M423 HydrophobicContact CE-CE 4.41Å; I421-M423 WeakPolarHBondContact CG2-O 3.31Å; M423-D425 HydrophobicContact CE-CB 3.44Å; M423-D425 VanDerWaalsContact CE-CB 3.44Å; M423-D425 WeakPolarHBondContact CE-OD2 3.5Å; M423-A435 WeakPolarHBondContact O-CA 3.44Å; M423-W436 HydrophobicContact CB-CB 3.94Å; M423-W436 PolarHBondContact O-N 3.36Å
424	L	98.8	Very high	96.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	91.9	177.7	-174.9	68.8	0	0	0	109.3	E376 F378 T387 L414 I421 L433 Y434 A435 Y444	E376-L424 HydrophobicContact CB-CB 3.96Å; E376-L424 HydrophobicContact CG-CB 4.13Å; F378-L424 HydrophobicContact CD1-CD2 3.75Å; F378-L424 HydrophobicContact CD1-CG 4Å; F378-L424 HydrophobicContact CE1-CD2 3.72Å; F378-L424 HydrophobicContact CE1-CG 4.36Å; T387-L424 HydrophobicContact CG2-CD2 3.92Å; L414-L424 HydrophobicContact CD2-CD2 3.78Å; I421-L424 HydrophobicContact CG2-CB 4.24Å; L424-L433 HydrophobicContact CD1-CB 3.81Å; L424-L433 HydrophobicContact CD1-CD1 4.18Å; L424-L433 HydrophobicContact CG-CD1 4.46Å; L424-Y434 CarbonylContact C-O 3.52Å; L424-Y434 VanDerWaalsContact CA-O 3.29Å; L424-Y434 WeakPolarHBondContact CA-O 3.46Å; L424-A435 HydrophobicContact CD1-CB 3.76Å; L424-Y444 HydrophobicContact CD1-CD2 4.32Å; L424-Y444 HydrophobicContact CD1-CE2 4.34Å
425	D	98.3	Very high	96.7	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.053	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	147.6	178.5	-76.6	-40.6	0	0	0	112.6	M423 L433 Y434	M423-D425 HydrophobicContact CE-CB 3.44Å; M423-D425 VanDerWaalsContact CE-CB 3.44Å; M423-D425 WeakPolarHBondContact CE-OD2 3.5Å; D425-L433 CarbonylContact O-C 3.47Å; D425-L433 VanDerWaalsContact O-CA 3.25Å; D425-L433 WeakPolarHBondContact O-CA 3.36Å; D425-Y434 PolarHBondContact N-O 3.42Å; D425-Y434 PolarHBondContact O-N 2.98Å
426	Y	98.7	Very high	96.7	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.039	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.5	171.4	176.5	-114.6	0	0	0	111.6	D332 E333 M379 I380 P428 R431 L433 V446	D332-Y426 HydrophobicContact CB-CD1 4.39Å; E333-Y426 VanDerWaalsContact OE1-CE1 3.26Å; E333-Y426 WeakPolarHBondContact OE1-CE1 3.49Å; E333-Y426 PolarHBondContact OE1-OH 3.44Å; M379-Y426 WeakPolarHBondContact O-CB 3.36Å; M379-Y426 WeakPolarHBondContact O-CD1 3.5Å; I380-Y426 HydrophobicContact CB-CD1 4.43Å; I380-Y426 HydrophobicContact CB-CE1 4.33Å; I380-Y426 HydrophobicContact CD1-CD2 3.87Å; I380-Y426 HydrophobicContact CD1-CE2 4.03Å; I380-Y426 HydrophobicContact CD1-CG 4.24Å; I380-Y426 HydrophobicContact CG1-CD1 3.83Å; I380-Y426 HydrophobicContact CG1-CD2 3.82Å; I380-Y426 HydrophobicContact CG1-CE1 4.07Å; I380-Y426 HydrophobicContact CG1-CE2 4.08Å; I380-Y426 HydrophobicContact CG1-CG 3.68Å; I380-Y426 HydrophobicContact CG2-CE1 4.03Å; I380-Y426 HydrophobicContact CG2-CE2 4.46Å; Y426-P428 HydrophobicContact CD1-CB 4.37Å; Y426-P428 VanDerWaalsContact CE1-CA 3.46Å; Y426-P428 HydrophobicContact CE1-CB 3.69Å; Y426-R431 HydrophobicContact CE2-CB 4.44Å; Y426-L433 HydrophobicContact CD2-CD2 4.14Å; Y426-L433 HydrophobicContact CG-CD2 4.47Å; Y426-V446 HydrophobicContact CD2-CG2 4.46Å; Y426-V446 HydrophobicContact CE2-CG2 3.83Å
427	N	97.6	Very high	96.8	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.7	166.6	-171.8	-39.9	0	0	0	110	T223 P225 H429 D430 R431 A432 Y434	T223-N427 PolarHBondContact O-ND2 2.87Å; T223-N427 PolarHBondContact OG1-ND2 2.97Å; P225-N427 WeakPolarHBondContact CB-OD1 3.27Å; N427-H429 VanDerWaalsContact C-N 3.27Å; N427-H429 PolarHBondContact O-N 3.27Å; N427-H429 WeakPolarHBondContact OD1-CA 3.46Å; N427-H429 WeakPolarHBondContact OD1-CB 3.43Å; N427-H429 PolarHBondContact OD1-N 3.42Å; N427-D430 PolarHBondContact O-N 3.02Å; N427-D430 PolarHBondContact OD1-N 2.89Å; N427-R431 WeakPolarHBondContact O-CA 3.31Å; N427-R431 PolarHBondContact O-N 2.81Å; N427-A432 PolarHBondContact N-O 3.26Å; N427-A432 PolarHBondContact O-N 3.07Å; N427-Y434 HydrophobicContact CB-CD2 3.83Å; N427-Y434 HydrophobicContact CB-CE2 3.54Å
428	P	93.5	Very high	96.8	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.026	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.1	-179.2	28	-35.6	0	0	0	114.3	P225 V331 E333 Y426	P225-P428 HydrophobicContact CB-CG 3.82Å; P225-P428 HydrophobicContact CG-CG 4.33Å; V331-P428 HydrophobicContact CG1-CG 4.18Å; E333-P428 HydrophobicContact CG-CB 3.99Å; Y426-P428 HydrophobicContact CD1-CB 4.37Å; Y426-P428 VanDerWaalsContact CE1-CA 3.46Å; Y426-P428 HydrophobicContact CE1-CB 3.69Å
429	H	90.9	Very high	96.9	Very high	95 Å²	95	21.7 Å²	21.7	44%	0.44	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-49	174.6	-179.2	-84.8	0	0	0	110.9	P225 N427	P225-H429 HydrophobicContact CB-CB 3.98Å; N427-H429 VanDerWaalsContact C-N 3.27Å; N427-H429 PolarHBondContact O-N 3.27Å; N427-H429 WeakPolarHBondContact OD1-CA 3.46Å; N427-H429 WeakPolarHBondContact OD1-CB 3.43Å; N427-H429 PolarHBondContact OD1-N 3.42Å
430	D	90.2	Very high	97	Very high	69 Å²	69	19.9 Å²	19.9	37%	0.369	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-15.8	-175.3	-57.3	-26.9	0	0	0	113.2	N427 A432 Y434	N427-D430 PolarHBondContact O-N 3.02Å; N427-D430 PolarHBondContact OD1-N 2.89Å; D430-A432 VanDerWaalsContact C-N 3.31Å; D430-A432 HydrophobicContact CB-CB 4.28Å; D430-A432 PolarHBondContact O-N 2.92Å; D430-Y434 PolarHBondContact OD2-OH 2.8Å
431	R	91.6	Very high	97.1	Very high	94 Å²	94	19.5 Å²	19.5	36%	0.355	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	51	-168.6	-56.5	-171.8	-179.5	177.8	4.6	112.2	Y426 N427 V446	Y426-R431 HydrophobicContact CE2-CB 4.44Å; N427-R431 WeakPolarHBondContact O-CA 3.31Å; N427-R431 PolarHBondContact O-N 2.81Å; R431-V446 HydrophobicContact CB-CG2 4.25Å; R431-V446 VanDerWaalsContact O-CG2 3.3Å; R431-V446 WeakPolarHBondContact O-CG2 3.44Å; R431-V446 PolarHBondContact O-N 3.04Å
432	A	96.4	Very high	97.1	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.6	179.5	0	0	0	0	0	110.6	N427 D430 Y434 L443 Y444	N427-A432 PolarHBondContact N-O 3.26Å; N427-A432 PolarHBondContact O-N 3.07Å; D430-A432 VanDerWaalsContact C-N 3.31Å; D430-A432 HydrophobicContact CB-CB 4.28Å; D430-A432 PolarHBondContact O-N 2.92Å; A432-Y434 HydrophobicContact CB-CE2 4.46Å; A432-L443 HydrophobicContact CB-CD2 4.28Å; A432-Y444 CarbonylContact C-O 3.58Å; A432-Y444 VanDerWaalsContact CA-O 3.22Å; A432-Y444 WeakPolarHBondContact CA-O 3.39Å; A432-Y444 WeakPolarHBondContact CB-O 3.33Å
433	L	98.8	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.8	167.4	-57	173.2	0	0	0	109.1	I205 F378 L424 D425 Y426 L443 Y444 V446	I205-L433 HydrophobicContact CD1-CD1 4.02Å; I205-L433 HydrophobicContact CG1-CD1 4.49Å; I205-L433 HydrophobicContact CG2-CD1 4.42Å; F378-L433 HydrophobicContact CB-CD2 4.4Å; F378-L433 HydrophobicContact CD1-CD1 4.47Å; F378-L433 HydrophobicContact CD1-CD2 4.09Å; F378-L433 HydrophobicContact CD2-CD2 3.62Å; F378-L433 HydrophobicContact CE1-CD1 3.93Å; F378-L433 HydrophobicContact CE1-CD2 4.26Å; F378-L433 HydrophobicContact CE2-CD1 4.26Å; F378-L433 HydrophobicContact CE2-CD2 3.8Å; F378-L433 HydrophobicContact CG-CD2 3.77Å; F378-L433 HydrophobicContact CZ-CD1 3.81Å; F378-L433 HydrophobicContact CZ-CD2 4.12Å; L424-L433 HydrophobicContact CD1-CB 3.81Å; L424-L433 HydrophobicContact CD1-CD1 4.18Å; L424-L433 HydrophobicContact CG-CD1 4.46Å; D425-L433 CarbonylContact O-C 3.47Å; D425-L433 VanDerWaalsContact O-CA 3.25Å; D425-L433 WeakPolarHBondContact O-CA 3.36Å; Y426-L433 HydrophobicContact CD2-CD2 4.14Å; Y426-L433 HydrophobicContact CG-CD2 4.47Å; L433-L443 CarbonylContact O-C 3.58Å; L433-L443 WeakPolarHBondContact O-CA 3.29Å; L433-Y444 HydrophobicContact CB-CD2 4.3Å; L433-Y444 PolarHBondContact N-O 3.18Å; L433-Y444 PolarHBondContact O-N 2.77Å; L433-V446 HydrophobicContact CD1-CG1 4Å; L433-V446 HydrophobicContact CD2-CG1 4.33Å; L433-V446 HydrophobicContact CG-CG1 3.71Å
434	Y	98.8	Very high	97	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.016	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.7	170.6	-75.9	-113.3	0	0	0	108.4	W221 T223 M252 L424 D425 N427 D430 A432 L443	W221-Y434 AromaticContact CD2-CD1 3.83Å; W221-Y434 HydrophobicContact CD2-CD1 3.83Å; W221-Y434 HydrophobicContact CD2-CE1 4.48Å; W221-Y434 AromaticContact CE2-CD1 3.67Å; W221-Y434 AromaticContact CE3-CD1 3.81Å; W221-Y434 HydrophobicContact CE3-CD1 3.81Å; W221-Y434 AromaticContact CE3-CE1 4Å; W221-Y434 HydrophobicContact CE3-CE1 4Å; W221-Y434 AromaticContact CH2-CD1 3.48Å; W221-Y434 HydrophobicContact CH2-CD1 3.48Å; W221-Y434 VanDerWaalsContact CH2-CD1 3.48Å; W221-Y434 AromaticContact CH2-CE1 3.54Å; W221-Y434 HydrophobicContact CH2-CE1 3.54Å; W221-Y434 HydrophobicContact CH2-CG 4.49Å; W221-Y434 AromaticContact CZ2-CD1 3.51Å; W221-Y434 HydrophobicContact CZ2-CD1 3.51Å; W221-Y434 HydrophobicContact CZ2-CE1 4.08Å; W221-Y434 HydrophobicContact CZ2-CG 4.23Å; W221-Y434 AromaticContact CZ3-CD1 3.66Å; W221-Y434 HydrophobicContact CZ3-CD1 3.66Å; W221-Y434 AromaticContact CZ3-CE1 3.52Å; W221-Y434 HydrophobicContact CZ3-CE1 3.52Å; T223-Y434 HydrophobicContact CG2-CE1 4.23Å; T223-Y434 PolarHBondContact OG1-OH 3.37Å; M252-Y434 HydrophobicContact CE-CE1 4.34Å; L424-Y434 CarbonylContact C-O 3.52Å; L424-Y434 VanDerWaalsContact CA-O 3.29Å; L424-Y434 WeakPolarHBondContact CA-O 3.46Å; D425-Y434 PolarHBondContact N-O 3.42Å; D425-Y434 PolarHBondContact O-N 2.98Å; N427-Y434 HydrophobicContact CB-CD2 3.83Å; N427-Y434 HydrophobicContact CB-CE2 3.54Å; D430-Y434 PolarHBondContact OD2-OH 2.8Å; A432-Y434 HydrophobicContact CB-CE2 4.46Å; Y434-L443 HydrophobicContact CD1-CD2 3.72Å; Y434-L443 HydrophobicContact CD2-CD2 3.53Å; Y434-L443 HydrophobicContact CE1-CD2 3.77Å; Y434-L443 HydrophobicContact CE2-CD2 3.58Å; Y434-L443 HydrophobicContact CG-CD2 3.59Å
435	A	98.8	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.5	-177.8	0	0	0	0	0	112.5	W221 M423 L424 V442 Y444	W221-A435 PolarHBondContact NE1-O 2.75Å; M423-A435 WeakPolarHBondContact O-CA 3.44Å; L424-A435 HydrophobicContact CD1-CB 3.76Å; A435-V442 HydrophobicContact CB-CB 4.4Å; A435-V442 PolarHBondContact N-O 2.91Å; A435-V442 PolarHBondContact O-N 2.74Å; A435-Y444 HydrophobicContact CB-CD2 4.26Å; A435-Y444 HydrophobicContact CB-CE2 3.67Å
436	W	98.8	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.7	162.6	-166.3	-73.6	0	0	0	109.5	S216 R217 F218 G219 Y236 D238 S422 M423 Q441	S216-W436 VanDerWaalsContact O-CZ2 3.32Å; S216-W436 WeakPolarHBondContact O-CZ2 3.48Å; S216-W436 PolarHBondContact O-NE1 3.47Å; S216-W436 VanDerWaalsContact O-NE1 3.16Å; R217-W436 PolarHBondContact O-NE1 3.3Å; F218-W436 VanDerWaalsContact C-CE2 3.48Å; F218-W436 WeakPolarHBondContact O-CZ2 3.45Å; G219-W436 VanDerWaalsContact C-CD2 3.49Å; G219-W436 WeakPolarHBondContact O-CB 3.45Å; Y236-W436 HydrophobicContact CD2-CH2 4.36Å; Y236-W436 AromaticContact CD2-CZ3 3.84Å; Y236-W436 HydrophobicContact CD2-CZ3 3.84Å; Y236-W436 HydrophobicContact CE1-CH2 4.16Å; Y236-W436 HydrophobicContact CE1-CZ3 4.46Å; Y236-W436 HydrophobicContact CE2-CE3 4.47Å; Y236-W436 AromaticContact CE2-CH2 3.46Å; Y236-W436 HydrophobicContact CE2-CH2 3.46Å; Y236-W436 VanDerWaalsContact CE2-CH2 3.46Å; Y236-W436 AromaticContact CE2-CZ3 3.33Å; Y236-W436 HydrophobicContact CE2-CZ3 3.33Å; Y236-W436 AromaticContact CZ-CH2 3.34Å; Y236-W436 AromaticContact CZ-CZ3 3.69Å; Y236-W436 WeakPolarHBondContact OH-CH2 3.41Å; D238-W436 HydrophobicContact CB-CH2 4.46Å; S422-W436 PolarHBondContact N-O 2.89Å; S422-W436 PolarHBondContact OG-O 3.21Å; M423-W436 HydrophobicContact CB-CB 3.94Å; M423-W436 PolarHBondContact O-N 3.36Å; W436-Q441 HydrophobicContact CE3-CG 4.1Å; W436-Q441 HydrophobicContact CZ3-CG 4.34Å; W436-Q441 VanDerWaalsContact CZ3-NE2 3.32Å
437	N	98.5	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	90.6	-174.2	-166.6	-163.9	0	0	0	110	N416 K417 Y418 H420 G439 H440 V442	N416-N437 PolarHBondContact OD1-ND2 2.79Å; N416-N437 PolarHBondContact OD1-OD1 3.17Å; K417-N437 PolarHBondContact N-OD1 3.38Å; Y418-N437 WeakPolarHBondContact CB-O 3.49Å; Y418-N437 HydrophobicContact CD2-CB 4.09Å; Y418-N437 WeakPolarHBondContact CD2-OD1 3.39Å; Y418-N437 PolarHBondContact N-OD1 2.83Å; H420-N437 PolarHBondContact N-ND2 3.4Å; H420-N437 CarbonylContact O-C 3.59Å; H420-N437 VanDerWaalsContact O-CA 3.27Å; H420-N437 WeakPolarHBondContact O-CA 3.4Å; H420-N437 PolarHBondContact O-ND2 3.37Å; N437-G439 PolarHBondContact O-N 2.96Å; N437-H440 PolarHBondContact N-O 2.98Å; N437-H440 WeakPolarHBondContact O-CB 3.23Å; N437-H440 PolarHBondContact O-CD2 2.8Å; N437-H440 PolarHBondContact O-N 3.22Å; N437-V442 HydrophobicContact CB-CG2 4.1Å
438	N	98.1	Very high	95.1	Very high	59 Å²	59	29.3 Å²	29.3	32%	0.316	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	44	175	-161	37.1	0	0	0	114.8	R217 Y418 H420 H440	R217-N438 WeakPolarHBondContact CG-OD1 3.49Å; R217-N438 PolarHBondContact NE-OD1 3.23Å; Y418-N438 VanDerWaalsContact O-CB 3.22Å; Y418-N438 WeakPolarHBondContact O-CB 3.46Å; Y418-N438 PolarHBondContact O-ND2 3.12Å; H420-N438 HydrophobicContact CB-CB 4.13Å; H420-N438 PolarHBondContact O-N 3.27Å; N438-H440 PolarHBondContact O-CD2 2.96Å
439	G	98.1	Very high	94	Very high	8 Å²	8	34.6 Å²	34.6	8%	0.082	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	9.7	-176.4	0	0	0	0	0	114.6	S214 S216 N437	S214-G439 PolarHBondContact N-O 3.01Å; S214-G439 VanDerWaalsContact O-O 3.06Å; S216-G439 VanDerWaalsContact O-CA 3.23Å; S216-G439 WeakPolarHBondContact O-CA 3.33Å; N437-G439 PolarHBondContact O-N 2.96Å
440	H	98.8	Very high	92.4	Very high	36 Å²	36	33.7 Å²	33.7	17%	0.167	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.5	172.1	-58.3	-104	0	0	0	110.1	K212 T213 Y418 N437 N438 V442	K212-H440 CarbonylContact O-C 3.59Å; K212-H440 WeakPolarHBondContact O-CA 3.44Å; T213-H440 PolarHBondContact OG1-CE1 3.4Å; T213-H440 VanDerWaalsContact OG1-CE1 3.24Å; T213-H440 PolarHBondContact OG1-ND1 2.87Å; Y418-H440 AromaticContact CD1-CD2 3.58Å; Y418-H440 AromaticContact CD1-CE1 3.89Å; Y418-H440 AromaticContact CD1-CG 3.92Å; Y418-H440 AromaticContact CD1-NE2 3.58Å; Y418-H440 HydrophobicContact CD2-CB 3.64Å; Y418-H440 AromaticContact CD2-CD2 3.94Å; Y418-H440 AromaticContact CD2-CG 3.71Å; Y418-H440 AromaticContact CE1-CD2 3.87Å; Y418-H440 AromaticContact CE1-CE1 3.48Å; Y418-H440 VanDerWaalsContact CE1-CE1 3.48Å; Y418-H440 WeakPolarHBondContact CE1-CE1 3.36Å; Y418-H440 AromaticContact CE1-CG 3.83Å; Y418-H440 AromaticContact CE1-ND1 3.56Å; Y418-H440 AromaticContact CE1-NE2 3.67Å; Y418-H440 HydrophobicContact CE2-CB 3.58Å; Y418-H440 AromaticContact CE2-CG 3.61Å; Y418-H440 AromaticContact CE2-ND1 3.83Å; Y418-H440 HydrophobicContact CG-CB 4.22Å; Y418-H440 AromaticContact CG-CD2 3.6Å; Y418-H440 AromaticContact CG-CG 3.85Å; Y418-H440 AromaticContact CZ-CE1 3.83Å; Y418-H440 AromaticContact CZ-CG 3.66Å; Y418-H440 AromaticContact CZ-ND1 3.41Å; N437-H440 PolarHBondContact N-O 2.98Å; N437-H440 WeakPolarHBondContact O-CB 3.23Å; N437-H440 PolarHBondContact O-CD2 2.8Å; N437-H440 PolarHBondContact O-N 3.22Å; N438-H440 PolarHBondContact O-CD2 2.96Å; H440-V442 HydrophobicContact CB-CG2 4.1Å
441	Q	98.6	Very high	90.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.1	172.2	-69.2	80.9	45.9	0	0	108.4	I211 K212 S214 W221 Y236 F255 W436	I211-Q441 PolarHBondContact N-O 3.43Å; K212-Q441 HydrophobicContact CB-CB 4.38Å; K212-Q441 PolarHBondContact N-O 3.43Å; K212-Q441 PolarHBondContact O-N 2.85Å; K212-Q441 PolarHBondContact O-OE1 3.35Å; S214-Q441 PolarHBondContact O-NE2 3.34Å; S214-Q441 PolarHBondContact OG-OE1 2.86Å; W221-Q441 HydrophobicContact CB-CG 4.24Å; W221-Q441 HydrophobicContact CD2-CB 3.79Å; W221-Q441 HydrophobicContact CD2-CG 3.9Å; W221-Q441 HydrophobicContact CE3-CB 4.4Å; W221-Q441 HydrophobicContact CG-CB 4.04Å; W221-Q441 HydrophobicContact CG-CG 3.62Å; W221-Q441 HydrophobicContact CZ2-CB 4.04Å; Y236-Q441 HydrophobicContact CE2-CG 4.31Å; F255-Q441 HydrophobicContact CE1-CB 4.13Å; F255-Q441 HydrophobicContact CE1-CG 4.43Å; F255-Q441 HydrophobicContact CZ-CB 4.04Å; F255-Q441 HydrophobicContact CZ-CG 3.85Å; W436-Q441 HydrophobicContact CE3-CG 4.1Å; W436-Q441 HydrophobicContact CZ3-CG 4.34Å; W436-Q441 VanDerWaalsContact CZ3-NE2 3.32Å
442	V	98.4	Very high	87.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.1	-167.3	179	0	0	0	0	110.2	P208 I209 Y418 A435 N437 H440 Y444	P208-V442 HydrophobicContact CB-CG1 3.32Å; I209-V442 CarbonylContact O-C 3.55Å; I209-V442 VanDerWaalsContact O-CA 3.29Å; I209-V442 WeakPolarHBondContact O-CA 3.38Å; Y418-V442 HydrophobicContact CD2-CG2 4.14Å; Y418-V442 HydrophobicContact CE2-CG2 3.91Å; A435-V442 HydrophobicContact CB-CB 4.4Å; A435-V442 PolarHBondContact N-O 2.91Å; A435-V442 PolarHBondContact O-N 2.74Å; N437-V442 HydrophobicContact CB-CG2 4.1Å; H440-V442 HydrophobicContact CB-CG2 4.1Å; V442-Y444 HydrophobicContact CB-CE2 4.45Å; V442-Y444 HydrophobicContact CG1-CD2 4.34Å; V442-Y444 HydrophobicContact CG1-CE2 3.76Å
443	L	98.3	Very high	84.4	Confident	23 Å²	23	38.9 Å²	38.9	12%	0.12	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.3	170.9	-72.6	177.7	0	0	0	111.6	I209 I211 W221 A432 L433 Y434	I209-L443 PolarHBondContact N-O 2.91Å; I209-L443 PolarHBondContact O-N 2.88Å; I211-L443 HydrophobicContact CD1-CD1 3.86Å; I211-L443 HydrophobicContact CD1-CG 4.22Å; I211-L443 HydrophobicContact CG1-CB 4.37Å; I211-L443 HydrophobicContact CG1-CD1 3.9Å; I211-L443 HydrophobicContact CG1-CG 3.82Å; W221-L443 HydrophobicContact CH2-CD1 4.2Å; W221-L443 HydrophobicContact CH2-CD2 3.76Å; W221-L443 HydrophobicContact CH2-CG 3.73Å; W221-L443 HydrophobicContact CZ2-CD2 3.81Å; W221-L443 HydrophobicContact CZ2-CG 3.93Å; A432-L443 HydrophobicContact CB-CD2 4.28Å; L433-L443 CarbonylContact O-C 3.58Å; L433-L443 WeakPolarHBondContact O-CA 3.29Å; Y434-L443 HydrophobicContact CD1-CD2 3.72Å; Y434-L443 HydrophobicContact CD2-CD2 3.53Å; Y434-L443 HydrophobicContact CE1-CD2 3.77Å; Y434-L443 HydrophobicContact CE2-CD2 3.58Å; Y434-L443 HydrophobicContact CG-CD2 3.59Å
444	Y	98.1	Very high	81.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.1	166.4	-53.6	-99.2	0	0	0	109.4	I205 S206 P208 L414 Q415 L424 A432 L433 A435 V442	I205-Y444 HydrophobicContact CG2-CD1 3.85Å; I205-Y444 HydrophobicContact CG2-CG 3.95Å; S206-Y444 WeakPolarHBondContact O-CD1 3.25Å; P208-Y444 HydrophobicContact CB-CD1 4.1Å; P208-Y444 HydrophobicContact CB-CE1 3.46Å; P208-Y444 VanDerWaalsContact CB-CE1 3.46Å; P208-Y444 HydrophobicContact CG-CE1 3.98Å; L414-Y444 HydrophobicContact CD1-CD1 3.78Å; L414-Y444 HydrophobicContact CD1-CD2 4.35Å; L414-Y444 HydrophobicContact CD1-CE1 3.65Å; L414-Y444 HydrophobicContact CD1-CE2 4.25Å; L414-Y444 HydrophobicContact CD1-CG 4.13Å; Q415-Y444 WeakPolarHBondContact O-CE1 3.38Å; Q415-Y444 PolarHBondContact O-OH 3.1Å; L424-Y444 HydrophobicContact CD1-CD2 4.32Å; L424-Y444 HydrophobicContact CD1-CE2 4.34Å; A432-Y444 CarbonylContact C-O 3.58Å; A432-Y444 VanDerWaalsContact CA-O 3.22Å; A432-Y444 WeakPolarHBondContact CA-O 3.39Å; A432-Y444 WeakPolarHBondContact CB-O 3.33Å; L433-Y444 HydrophobicContact CB-CD2 4.3Å; L433-Y444 PolarHBondContact N-O 3.18Å; L433-Y444 PolarHBondContact O-N 2.77Å; A435-Y444 HydrophobicContact CB-CD2 4.26Å; A435-Y444 HydrophobicContact CB-CE2 3.67Å; V442-Y444 HydrophobicContact CB-CE2 4.45Å; V442-Y444 HydrophobicContact CG1-CD2 4.34Å; V442-Y444 HydrophobicContact CG1-CE2 3.76Å
445	N	93.4	Very high	78.2	Confident	85 Å²	85	51.3 Å²	51.3	46%	0.455	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.3	170.4	-67.9	-22.7	0	0	0	109.3	S206	S206-N445 PolarHBondContact N-O 3.5Å; S206-N445 PolarHBondContact OG-N 2.84Å
446	V	92.6	Very high	75.2	Confident	18 Å²	18	60.2 Å²	60.2	11%	0.109	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.6	175.6	-60.6	0	0	0	0	111.8	L202 I380 Y426 R431 L433 L448	L202-V446 HydrophobicContact CD1-CB 3.73Å; L202-V446 HydrophobicContact CD1-CG1 3.96Å; I380-V446 HydrophobicContact CD1-CG1 4.42Å; I380-V446 HydrophobicContact CD1-CG2 4.42Å; Y426-V446 HydrophobicContact CD2-CG2 4.46Å; Y426-V446 HydrophobicContact CE2-CG2 3.83Å; R431-V446 HydrophobicContact CB-CG2 4.25Å; R431-V446 VanDerWaalsContact O-CG2 3.3Å; R431-V446 WeakPolarHBondContact O-CG2 3.44Å; R431-V446 PolarHBondContact O-N 3.04Å; L433-V446 HydrophobicContact CD1-CG1 4Å; L433-V446 HydrophobicContact CD2-CG1 4.33Å; L433-V446 HydrophobicContact CG-CG1 3.71Å; V446-L448 HydrophobicContact CB-CD2 4.49Å; V446-L448 HydrophobicContact CG2-CD2 4.14Å; V446-L448 HydrophobicContact CG2-CG 4.37Å
447	T	83.1	Confident	72.1	Confident	85 Å²	85	71.4 Å²	71.4	52%	0.521	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.9	170.2	-56.4	0	0	0	0	108.8	T203 G204	T203-T447 PolarHBondContact N-O 2.97Å; T203-T447 PolarHBondContact OG1-O 3.49Å; T203-T447 VanDerWaalsContact OG1-O 3.09Å; G204-T447 PolarHBondContact N-O 2.91Å; G204-T447 PolarHBondContact O-N 2.98Å
448	L	83.5	Confident	70.8	Confident	32 Å²	32	75 Å²	75	17%	0.168	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.5	177.3	-52.3	-176.3	0	0	0	109.2	K201 L202 I380 V446	K201-L448 CarbonylContact O-C 3.59Å; K201-L448 WeakPolarHBondContact O-CA 3.32Å; L202-L448 HydrophobicContact CB-CD2 4.31Å; L202-L448 HydrophobicContact CD1-CD2 3.99Å; I380-L448 HydrophobicContact CD1-CD2 4.23Å; I380-L448 HydrophobicContact CG2-CD1 3.86Å; I380-L448 HydrophobicContact CG2-CD2 3.93Å; V446-L448 HydrophobicContact CB-CD2 4.49Å; V446-L448 HydrophobicContact CG2-CD2 4.14Å; V446-L448 HydrophobicContact CG2-CG 4.37Å
449	F	71	Confident	69.4	Low	116 Å²	116	75.8 Å²	75.8	51%	0.509	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.9	172.1	-175.2	-100.9	0	0	0	109.6	G200 K201 T203 V451	G200-F449 CarbonylContact C-O 3.6Å; G200-F449 VanDerWaalsContact CA-O 3.27Å; G200-F449 WeakPolarHBondContact CA-O 3.5Å; K201-F449 PolarHBondContact N-O 3.27Å; K201-F449 PolarHBondContact O-N 2.77Å; T203-F449 HydrophobicContact CG2-CB 3.41Å; T203-F449 VanDerWaalsContact CG2-CB 3.41Å; T203-F449 HydrophobicContact CG2-CG 4.36Å; F449-V451 HydrophobicContact CD1-CG2 3.82Å; F449-V451 HydrophobicContact CE1-CB 4.3Å; F449-V451 HydrophobicContact CE1-CG2 3.76Å
450	H	56.6	Low	67.8	Low	76 Å²	76	79.6 Å²	79.6	35%	0.352	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-84.5	121.2	163.5	-93.1	-54.9	0	0	0	109.8	L197 A198 C199 I452	L197-H450 PolarHBondContact O-CE1 3.22Å; L197-H450 PolarHBondContact O-NE2 3.13Å; A198-H450 WeakPolarHBondContact CA-NE2 3.32Å; A198-H450 PolarHBondContact O-NE2 2.59Å; C199-H450 PolarHBondContact N-CE1 3.17Å; C199-H450 VanDerWaalsContact N-CE1 3.26Å; C199-H450 PolarHBondContact N-NE2 2.77Å; C199-H450 PolarHBondContact O-CE1 3.39Å; C199-H450 PolarHBondContact O-ND1 2.79Å; H450-I452 HydrophobicContact CB-CG1 4.33Å; H450-I452 PolarHBondContact O-N 2.92Å
451	V	41.6	Very low	66	Low	54 Å²	54	82.1 Å²	82.1	33%	0.327	42%	0.415	S	S	.	.			trans	-73.6	81	169.6	-174	0	0	0	0	108.5	Y143 F449 R453	Y143-V451 HydrophobicContact CE2-CG1 4.48Å; F449-V451 HydrophobicContact CD1-CG2 3.82Å; F449-V451 HydrophobicContact CE1-CB 4.3Å; F449-V451 HydrophobicContact CE1-CG2 3.76Å; V451-R453 HydrophobicContact CG1-CB 4.49Å; V451-R453 HydrophobicContact CG1-CG 3.58Å; V451-R453 PolarHBondContact O-N 3.35Å
452	I	37.9	Very low	63.9	Low	99 Å²	99	87.3 Å²	87.3	51%	0.508	44%	0.441	S	S	.	.			trans	-91.3	79.1	159.5	-67.1	-177.5	0	0	0	104.8	R86 H450 S454	R86-I452 VanDerWaalsContact NH2-CG2 3.26Å; H450-I452 HydrophobicContact CB-CG1 4.33Å; H450-I452 PolarHBondContact O-N 2.92Å; I452-S454 PolarHBondContact O-N 3.26Å
453	R	29.8	Very low	61.6	Low	121 Å²	121	93.1 Å²	93.1	46%	0.457	47%	0.471	S	S	.	.			trans	-63.8	102.3	179.3	-82.6	-175.3	-167.8	-178.9	-2	109.9	R86 Y143 V451	R86-R453 PolarHBondContact NH2-O 3.08Å; Y143-R453 WeakPolarHBondContact OH-CB 3.41Å; Y143-R453 VanDerWaalsContact OH-CD 3.23Å; Y143-R453 WeakPolarHBondContact OH-CD 3.43Å; Y143-R453 WeakPolarHBondContact OH-CG 3.13Å; V451-R453 HydrophobicContact CG1-CB 4.49Å; V451-R453 HydrophobicContact CG1-CG 3.58Å; V451-R453 PolarHBondContact O-N 3.35Å
454	S	33.5	Very low	59	Low	84 Å²	84	98.1 Å²	98.1	59%	0.587	50%	0.496	S	S	*	.			trans	-96.6	74.7	165.9	59.3	0	0	0	0	108.3	I452	I452-S454 PolarHBondContact O-N 3.26Å
455	E	35.2	Very low	56	Low	182 Å²	182	105.6 Å²	105.6	85%	0.85	53%	0.534	S	S	*	.			trans	-125.2	81.4	155.5	-66.4	-178.2	-178.7	0	0	102.1
456	E	34.7	Very low	52.9	Low	186 Å²	186	107.3 Å²	107.3	87%	0.869	54%	0.541	S	S	*	.				-150.3	137.3	61.3	-69.3	157.4	162	0	0	109.9
457	L	35.3	Very low	49.3	Very low	235 Å²	235	115.5 Å²	115.5	100%	1.23	58%	0.58	S	S	*	*			trans	-98.6	0	155.9	-119.7	165.4	0	0	0	107.7

Retrieved 457 of 457 residues in 226.8 ms (Link to these results)

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