A0A077ZJ85_TRITR Loading...

OprD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 468 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	30.3	Very low	31.7	Very low	254 Å²	254	171.1 Å²	171.1	100%	1.251	88%	0.883	S	S	*	*				0	131.5	0	-104	166.1	162.5	0	0	108.1
2	R	27.7	Very low	31.8	Very low	240 Å²	240	164.6 Å²	164.6	91%	0.906	87%	0.874	S	S	*	*			trans	-77.5	135.9	-172.7	-91.2	178.8	171.8	180	-3	112.7
3	T	26.2	Very low	32.1	Very low	110 Å²	110	163.7 Å²	163.7	68%	0.675	87%	0.868	S	S	*	*			trans	43	129.1	133	-11.7	0	0	0	0	121.2
4	F	32.4	Very low	32.5	Very low	213 Å²	213	158.9 Å²	158.9	93%	0.934	86%	0.863	S	S	*	*				-152.1	130.7	123.6	-96.3	-73.7	0	0	0	111.3
5	S	28.9	Very low	32.6	Very low	112 Å²	112	157.1 Å²	157.1	78%	0.783	85%	0.85	S	S	*	*			trans	-92.5	146.6	167.9	61.6	0	0	0	0	110.4
6	G	31.6	Very low	32.6	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	82%	0.822	S	S	*	*			trans	-173.4	108	166	0	0	0	0	0	112.4
7	K	29.4	Very low	32.4	Very low	205 Å²	205	145.3 Å²	145.3	89%	0.891	81%	0.814	S	S	*	*			trans	-68.1	141.8	168.1	-68	176.1	173.3	-177.4	0	110.1
8	R	34.1	Very low	32.6	Very low	249 Å²	249	144.7 Å²	144.7	94%	0.94	81%	0.814	S	S	*	*			trans	-169.6	117.6	142.4	-103.1	165.8	-163.8	-143.6	4.5	112.5
9	S	33.4	Very low	32.8	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	81%	0.811	S	S	*	*			trans	57.8	94.5	139	-159.6	0	0	0	0	120.5	L11	S9-L11 PolarHBondContact O-N 3.23Å
10	T	38.5	Very low	32.7	Very low	145 Å²	145	140.8 Å²	140.8	89%	0.89	81%	0.806	S	S	*	*	S	Bend	trans	-64	91.2	150.5	38.7	0	0	0	0	111.1
11	L	35.6	Very low	32.6	Very low	167 Å²	167	142.3 Å²	142.3	87%	0.874	81%	0.808	S	S	*	*			trans	-173.7	62.6	150.2	-148.6	73.7	0	0	0	111.4	S9	S9-L11 PolarHBondContact O-N 3.23Å
12	A	33.6	Very low	32.5	Very low	93 Å²	93	136.4 Å²	136.4	77%	0.769	79%	0.792	S	S	*	*	S	Bend	trans	-156.2	22	166.7	0	0	0	0	0	112.6
13	L	35.2	Very low	32.7	Very low	153 Å²	153	127.1 Å²	127.1	80%	0.801	77%	0.772	S	S	*	*			trans	-127.8	44.5	-169.5	-143.9	95.5	0	0	0	113.2
14	A	37.3	Very low	32.9	Very low	97 Å²	97	132.5 Å²	132.5	80%	0.802	79%	0.786	S	S	*	*	S	Bend	trans	-114	-8	173.5	0	0	0	0	0	114.9
15	I	35.2	Very low	33.3	Very low	131 Å²	131	129.4 Å²	129.4	67%	0.672	78%	0.776	S	S	*	*	S	Bend	trans	-126.5	2.1	173.1	-59.3	-179	0	0	0	113	W194	I15-W194 HydrophobicContact CD1-CD2 4.33Å
16	A	31.9	Very low	33.6	Very low	48 Å²	48	128.5 Å²	128.5	40%	0.397	78%	0.775	S	S	.	*			trans	-102.1	23.8	171.2	0	0	0	0	0	113.6	V18	A16-V18 VanDerWaalsContact C-N 3.31Å; A16-V18 PolarHBondContact O-N 3.3Å
17	G	29.5	Very low	34.4	Very low	66 Å²	66	131.4 Å²	131.4	68%	0.68	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-5.9	-175.1	0	0	0	0	0	116.2
18	V	36.5	Very low	35.3	Very low	135 Å²	135	125.6 Å²	125.6	82%	0.818	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-4.9	178.9	178.7	0	0	0	0	113.2	A16	A16-V18 VanDerWaalsContact C-N 3.31Å; A16-V18 PolarHBondContact O-N 3.3Å
19	T	35	Very low	36.3	Very low	124 Å²	124	122 Å²	122	76%	0.761	75%	0.747	S	S	*	*	S	Bend	trans	-112.7	23.4	-178.4	48.3	0	0	0	0	115.4
20	A	31.2	Very low	37.3	Very low	86 Å²	86	120.3 Å²	120.3	71%	0.711	74%	0.739	S	S	*	*			trans	-106	25	176.5	0	0	0	0	0	114.7
21	M	30.2	Very low	38.2	Very low	173 Å²	173	121.9 Å²	121.9	85%	0.852	73%	0.729	S	S	*	*			trans	-112.9	90.9	159.1	-70.5	-153.4	-65.9	0	0	109.3	G23	M21-G23 PolarHBondContact O-N 3.14Å
22	S	28.7	Very low	39.4	Very low	130 Å²	130	117.2 Å²	117.2	91%	0.909	71%	0.714	S	S	*	*			trans	-64	77.7	162.5	54.1	0	0	0	0	109.6
23	G	33.1	Very low	41.1	Very low	46 Å²	46	119.3 Å²	119.3	47%	0.474	71%	0.708	S	S	.	*			trans	-111.2	129.3	159.1	0	0	0	0	0	107.1	M21 M25	M21-G23 PolarHBondContact O-N 3.14Å; G23-M25 PolarHBondContact O-N 3.19Å
24	F	28.9	Very low	43.3	Very low	222 Å²	222	112.7 Å²	112.7	97%	0.974	68%	0.677	S	S	*	*			trans	-60.7	87.9	170.3	-141.4	-87.4	0	0	0	107.8
25	M	40.8	Very low	45.8	Very low	148 Å²	148	110.7 Å²	110.7	73%	0.729	65%	0.65	S	S	*	*			trans	-89.8	105.4	172.3	-71.9	-162.3	-86.1	0	0	106.6	G23 M27	G23-M25 PolarHBondContact O-N 3.19Å; M25-M27 VanDerWaalsContact C-N 3.3Å; M25-M27 PolarHBondContact O-N 3.27Å
26	A	35.8	Very low	48.5	Very low	93 Å²	93	108.8 Å²	108.8	77%	0.769	64%	0.641	S	S	*	*			trans	-60.6	101.5	163.5	0	0	0	0	0	106.3
27	M	48	Very low	51.3	Low	140 Å²	140	111.9 Å²	111.9	69%	0.69	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-58.5	127.7	170.2	-63.3	-153.2	-61.4	0	0	106.6	M25 E29 F87	M25-M27 VanDerWaalsContact C-N 3.3Å; M25-M27 PolarHBondContact O-N 3.27Å; M27-E29 PolarHBondContact O-N 3.41Å; M27-F87 HydrophobicContact SD-CE2 4.34Å
28	P	49.4	Very low	54.4	Low	83 Å²	83	114 Å²	114	54%	0.539	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-52.2	140.1	166.6	-12.7	20.8	0	0	0	108.4	A30 A84	P28-A30 PolarHBondContact O-N 3.45Å; P28-A84 HydrophobicContact CB-CB 4.35Å; P28-A84 HydrophobicContact CG-CB 4.05Å
29	E	54.8	Low	57.2	Low	174 Å²	174	108.1 Å²	108.1	81%	0.813	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-53.6	127.8	172.2	-169.9	172.5	-166	0	0	108.7	M27 R31	M27-E29 PolarHBondContact O-N 3.41Å; E29-R31 PolarHBondContact O-N 3.34Å
30	A	54.5	Low	60.2	Low	73 Å²	73	104.5 Å²	104.5	60%	0.603	59%	0.589	S	S	*	*			trans	-62.4	104.8	179.6	0	0	0	0	0	108.7	P28 A83	P28-A30 PolarHBondContact O-N 3.45Å; A30-A83 HydrophobicContact CB-CB 4.35Å
31	R	56.8	Low	63.4	Low	177 Å²	177	101.9 Å²	101.9	67%	0.668	56%	0.563	S	S	*	*			trans	-80.6	147.3	172	-64.7	-174	176.4	-176.4	0.1	108.8	E29 E33	E29-R31 PolarHBondContact O-N 3.34Å; R31-E33 HydrophobicContact CB-CB 4.33Å
32	A	61.2	Low	66.6	Low	69 Å²	69	95.9 Å²	95.9	57%	0.57	54%	0.536	S	S	*	.	S	Bend	trans	-62.6	-36.8	171	0	0	0	0	0	111	G34 F35 I36	A32-G34 PolarHBondContact O-N 2.89Å; A32-F35 PolarHBondContact O-N 3.14Å; A32-F35 VanDerWaalsContact O-N 3.17Å; A32-I36 PolarHBondContact O-N 2.91Å; A32-I36 VanDerWaalsContact O-N 3.1Å
33	E	68.3	Low	69.8	Low	137 Å²	137	90 Å²	90	64%	0.64	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	124.2	167.6	-70.7	178.4	172.3	0	0	109.7	R31 D37	R31-E33 HydrophobicContact CB-CB 4.33Å; E33-D37 WeakPolarHBondContact CA-OD2 3.07Å
34	G	81.4	Confident	72.9	Confident	14 Å²	14	87.8 Å²	87.8	14%	0.144	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-16.7	179.4	0	0	0	0	0	115.5	A32 D38 G81 Y82	A32-G34 PolarHBondContact O-N 2.89Å; G34-D38 WeakPolarHBondContact CA-OD2 3.14Å; G34-G81 CarbonylContact O-C 3.59Å; G34-G81 VanDerWaalsContact O-C 3.29Å; G34-G81 WeakPolarHBondContact O-CA 3.41Å; G34-Y82 PolarHBondContact O-N 3.16Å
35	F	90.3	Very high	76.2	Confident	56 Å²	56	81 Å²	81	25%	0.246	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-52.3	174.1	-175	-95.9	0	0	0	113	A32 S80 G81 A83 L89	A32-F35 PolarHBondContact O-N 3.14Å; A32-F35 VanDerWaalsContact O-N 3.17Å; F35-S80 WeakPolarHBondContact CE2-OG 3.27Å; F35-G81 PolarHBondContact O-N 3.1Å; F35-A83 HydrophobicContact CB-CB 4.31Å; F35-A83 HydrophobicContact CD2-CB 3.83Å; F35-A83 HydrophobicContact CG-CB 4.3Å; F35-L89 HydrophobicContact CZ-CB 4.39Å
36	I	92	Very high	78.9	Confident	91 Å²	91	75.6 Å²	75.6	47%	0.467	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-43.8	177.1	-60.7	-59.2	0	0	0	110.4	A32 D38 S39	A32-I36 PolarHBondContact O-N 2.91Å; A32-I36 VanDerWaalsContact O-N 3.1Å; I36-D38 VanDerWaalsContact C-N 3.27Å; I36-D38 PolarHBondContact O-N 3.22Å; I36-S39 VanDerWaalsContact O-CB 3.22Å; I36-S39 WeakPolarHBondContact O-CB 3.26Å; I36-S39 PolarHBondContact O-N 3.14Å; I36-S39 PolarHBondContact O-OG 2.77Å
37	D	90.9	Very high	81.9	Confident	112 Å²	112	72.8 Å²	72.8	60%	0.599	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.1	-175.8	-63	-27.8	0	0	0	113	E33 S39	E33-D37 WeakPolarHBondContact CA-OD2 3.07Å; D37-S39 VanDerWaalsContact C-N 3.32Å
38	D	93.7	Very high	84.2	Confident	111 Å²	111	67.8 Å²	67.8	59%	0.594	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	8.7	175.6	-69.2	-1.2	0	0	0	112.3	G34 I36	G34-D38 WeakPolarHBondContact CA-OD2 3.14Å; I36-D38 VanDerWaalsContact C-N 3.27Å; I36-D38 PolarHBondContact O-N 3.22Å
39	S	96.7	Very high	86.5	Confident	11 Å²	11	67.3 Å²	67.3	8%	0.077	35%	0.352	C	S	.	.			trans	-78.2	150.7	178.1	72.8	0	0	0	0	111.9	I36 D37 Q79	I36-S39 VanDerWaalsContact O-CB 3.22Å; I36-S39 WeakPolarHBondContact O-CB 3.26Å; I36-S39 PolarHBondContact O-N 3.14Å; I36-S39 PolarHBondContact O-OG 2.77Å; D37-S39 VanDerWaalsContact C-N 3.32Å; S39-Q79 CarbonylContact C-O 3.59Å; S39-Q79 WeakPolarHBondContact CA-O 3.45Å; S39-Q79 WeakPolarHBondContact CB-O 3.3Å
40	T	97.6	Very high	88.6	Confident	49 Å²	49	59.9 Å²	59.9	30%	0.301	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.6	174.5	62	0	0	0	0	110.4	F78 Q79 F468	T40-F78 WeakPolarHBondContact O-CA 3.26Å; T40-Q79 PolarHBondContact N-O 3.03Å; T40-Q79 PolarHBondContact O-N 2.89Å; T40-F468 CarbonylContact C-O 3.56Å; T40-F468 VanDerWaalsContact CA-O 3.32Å; T40-F468 WeakPolarHBondContact CA-O 3.29Å
41	L	98	Very high	90.6	Very high	30 Å²	30	61.6 Å²	61.6	16%	0.157	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	108.3	168.5	-179.2	61.6	0	0	0	109.2	L76 D77 F78 I467 F468	L41-L76 HydrophobicContact CD1-CB 4.22Å; L41-L76 HydrophobicContact CD1-CD2 4.29Å; L41-D77 WeakPolarHBondContact CA-O 3.33Å; L41-F78 HydrophobicContact CD1-CB 4.06Å; L41-I467 HydrophobicContact CB-CB 4.34Å; L41-I467 HydrophobicContact CD2-CB 4.25Å; L41-I467 HydrophobicContact CD2-CD1 3.76Å; L41-I467 HydrophobicContact CD2-CG1 4.45Å; L41-I467 HydrophobicContact CD2-CG2 4.45Å; L41-I467 HydrophobicContact CG-CB 4.28Å; L41-I467 HydrophobicContact CG-CD1 4.06Å; L41-I467 HydrophobicContact CG-CG1 4.42Å; L41-I467 PolarHBondContact O-N 3.39Å; L41-F468 HydrophobicContact CB-CD1 4.05Å; L41-F468 HydrophobicContact CB-CD2 4.09Å; L41-F468 HydrophobicContact CB-CE1 3.59Å; L41-F468 HydrophobicContact CB-CE2 3.64Å; L41-F468 HydrophobicContact CB-CG 4.28Å; L41-F468 HydrophobicContact CB-CZ 3.37Å; L41-F468 HydrophobicContact CD2-CD1 4.48Å; L41-F468 HydrophobicContact CD2-CE1 3.63Å; L41-F468 HydrophobicContact CD2-CZ 3.91Å; L41-F468 HydrophobicContact CG-CE1 4.27Å; L41-F468 HydrophobicContact CG-CZ 4.28Å; L41-F468 PolarHBondContact N-O 3.13Å
42	T	97.3	Very high	92.6	Very high	47 Å²	47	53.7 Å²	53.7	29%	0.288	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	164.1	178.1	63.5	0	0	0	0	110.4	L76 D77 T466	T42-L76 CarbonylContact O-C 3.53Å; T42-L76 WeakPolarHBondContact O-CA 3.22Å; T42-D77 PolarHBondContact N-O 3.04Å; T42-D77 PolarHBondContact O-N 2.8Å; T42-T466 HydrophobicContact CG2-CG2 4.24Å
43	G	96.8	Very high	94.3	Very high	6 Å²	6	53.3 Å²	53.3	6%	0.062	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-176.2	175.6	0	0	0	0	0	111.6	N75 F465	G43-N75 WeakPolarHBondContact CA-O 3.4Å; G43-F465 VanDerWaalsContact C-CE1 3.47Å; G43-F465 PolarHBondContact N-O 2.85Å; G43-F465 PolarHBondContact O-N 3.44Å; G43-F465 VanDerWaalsContact O-O 3.09Å
44	G	97.3	Very high	95.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.5	177.2	0	0	0	0	0	110.8	Y46 A74 N75 A463 F465	G44-Y46 VanDerWaalsContact C-CE2 3.46Å; G44-Y46 WeakPolarHBondContact O-CE2 3.44Å; G44-A74 VanDerWaalsContact O-CA 3.23Å; G44-A74 WeakPolarHBondContact O-CA 3.44Å; G44-N75 PolarHBondContact N-O 3.11Å; G44-N75 PolarHBondContact N-OD1 3.23Å; G44-N75 PolarHBondContact O-N 2.77Å; G44-N75 VanDerWaalsContact O-N 3.12Å; G44-A463 WeakPolarHBondContact CA-O 3.03Å; G44-F465 VanDerWaalsContact N-CE1 3.29Å
45	I	98.3	Very high	96.5	Very high	80 Å²	80	49.4 Å²	49.4	41%	0.41	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.9	164.8	-57.3	176.3	0	0	0	106.7	W72 A463 F465	I45-W72 HydrophobicContact CG2-CE3 3.7Å; I45-W72 HydrophobicContact CG2-CZ3 3.65Å; I45-A463 HydrophobicContact CB-CB 4.46Å; I45-A463 PolarHBondContact N-O 3.2Å; I45-A463 WeakPolarHBondContact O-CB 3.41Å; I45-A463 PolarHBondContact O-N 2.88Å; I45-F465 HydrophobicContact CG1-CE1 4.05Å
46	Y	98.3	Very high	96.8	Very high	34 Å²	34	48.6 Å²	48.6	13%	0.133	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.5	-175.6	-45.3	-99	0	0	0	110	G44 W72 N73 N75 F166 M167 V461 I462	G44-Y46 VanDerWaalsContact C-CE2 3.46Å; G44-Y46 WeakPolarHBondContact O-CE2 3.44Å; Y46-W72 CarbonylContact O-C 3.52Å; Y46-W72 VanDerWaalsContact O-CA 3.3Å; Y46-W72 WeakPolarHBondContact O-CA 3.49Å; Y46-N73 HydrophobicContact CD2-CB 4.14Å; Y46-N73 PolarHBondContact N-O 2.97Å; Y46-N73 PolarHBondContact O-N 3.39Å; Y46-N75 WeakPolarHBondContact CE2-OD1 3.45Å; Y46-N75 PolarHBondContact OH-OD1 2.9Å; Y46-F166 VanDerWaalsContact CB-CE2 3.42Å; Y46-F166 HydrophobicContact CD1-CB 3.93Å; Y46-F166 AromaticContact CD1-CD1 3.6Å; Y46-F166 HydrophobicContact CD1-CD1 3.6Å; Y46-F166 HydrophobicContact CD1-CD2 4.26Å; Y46-F166 HydrophobicContact CD1-CE1 4.1Å; Y46-F166 AromaticContact CD1-CG 3.69Å; Y46-F166 HydrophobicContact CD1-CG 3.69Å; Y46-F166 HydrophobicContact CD2-CB 4.33Å; Y46-F166 HydrophobicContact CE1-CB 4.31Å; Y46-F166 HydrophobicContact CE1-CD1 4.33Å; Y46-F166 HydrophobicContact CE1-CG 4.47Å; Y46-F166 HydrophobicContact CG-CB 3.95Å; Y46-F166 HydrophobicContact CG-CD1 4.11Å; Y46-F166 AromaticContact CG-CD2 3.92Å; Y46-F166 HydrophobicContact CG-CD2 3.92Å; Y46-F166 HydrophobicContact CG-CE2 4.36Å; Y46-F166 AromaticContact CG-CG 3.76Å; Y46-F166 HydrophobicContact CG-CG 3.76Å; Y46-M167 HydrophobicContact CD2-SD 4.17Å; Y46-M167 HydrophobicContact CE2-SD 4.04Å; Y46-V461 CarbonylContact C-O 3.48Å; Y46-V461 VanDerWaalsContact CA-O 3.23Å; Y46-V461 WeakPolarHBondContact CA-O 3.21Å; Y46-I462 HydrophobicContact CD1-CB 4.28Å; Y46-I462 HydrophobicContact CD1-CG1 4.16Å; Y46-I462 HydrophobicContact CD1-CG2 3.87Å; Y46-I462 HydrophobicContact CE1-CG2 3.72Å
47	Y	98.2	Very high	97	Very high	35 Å²	35	45.5 Å²	45.5	14%	0.137	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.8	170.5	176.6	-105.5	0	0	0	108.2	Q49 S70 T71 W72 F459 M460 V461	Y47-Q49 HydrophobicContact CE1-CB 3.66Å; Y47-Q49 PolarHBondContact OH-OE1 2.78Å; Y47-S70 WeakPolarHBondContact OH-CB 3.14Å; Y47-T71 WeakPolarHBondContact CA-O 3.28Å; Y47-W72 AromaticContact CD2-CD1 3.82Å; Y47-W72 AromaticContact CD2-CD2 3.86Å; Y47-W72 HydrophobicContact CD2-CD2 3.86Å; Y47-W72 AromaticContact CD2-CE2 3.46Å; Y47-W72 VanDerWaalsContact CD2-CE2 3.46Å; Y47-W72 HydrophobicContact CD2-CG 4.1Å; Y47-W72 AromaticContact CD2-CZ2 3.84Å; Y47-W72 HydrophobicContact CD2-CZ2 3.84Å; Y47-W72 AromaticContact CD2-NE1 3.44Å; Y47-W72 HydrophobicContact CE2-CZ2 4.45Å; Y47-W72 AromaticContact CE2-NE1 3.69Å; Y47-W72 HydrophobicContact CG-CZ2 4.28Å; Y47-F459 HydrophobicContact CD1-CD1 4.02Å; Y47-F459 HydrophobicContact CD1-CE1 4.12Å; Y47-F459 AromaticContact CE1-CD1 3.86Å; Y47-F459 HydrophobicContact CE1-CD1 3.86Å; Y47-F459 HydrophobicContact CE1-CE1 4.17Å; Y47-M460 CarbonylContact O-C 3.5Å; Y47-M460 VanDerWaalsContact O-CA 3.25Å; Y47-M460 WeakPolarHBondContact O-CA 3.27Å; Y47-V461 HydrophobicContact CD1-CG2 4.25Å; Y47-V461 PolarHBondContact N-O 2.61Å; Y47-V461 PolarHBondContact O-N 2.87Å
48	W	97.2	Very high	97.2	Very high	35 Å²	35	44.5 Å²	44.5	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.9	172.3	-163.1	-52.1	0	0	0	108.6	H69 S70 T71 I111 F166 K458 M460	W48-H69 AromaticContact CD1-CE1 3.95Å; W48-S70 CarbonylContact O-C 3.58Å; W48-S70 WeakPolarHBondContact O-CA 3.39Å; W48-T71 PolarHBondContact N-O 2.89Å; W48-T71 PolarHBondContact O-N 2.74Å; W48-I111 HydrophobicContact CB-CG1 4.42Å; W48-I111 HydrophobicContact CB-CG2 3.95Å; W48-I111 HydrophobicContact CD2-CD1 3.77Å; W48-I111 HydrophobicContact CD2-CG1 3.81Å; W48-I111 HydrophobicContact CE3-CD1 3.33Å; W48-I111 HydrophobicContact CE3-CG1 3.87Å; W48-I111 HydrophobicContact CE3-CG2 4.47Å; W48-I111 HydrophobicContact CG-CG1 4.08Å; W48-I111 HydrophobicContact CG-CG2 4.48Å; W48-I111 HydrophobicContact CH2-CD1 3.84Å; W48-I111 HydrophobicContact CZ2-CD1 4.21Å; W48-I111 HydrophobicContact CZ3-CD1 3.39Å; W48-I111 HydrophobicContact CZ3-CG1 4.35Å; W48-F166 HydrophobicContact CB-CE2 3.67Å; W48-F166 HydrophobicContact CB-CZ 3.94Å; W48-F166 HydrophobicContact CD2-CE2 4.4Å; W48-F166 HydrophobicContact CD2-CZ 4.2Å; W48-F166 HydrophobicContact CE3-CD1 4.42Å; W48-F166 HydrophobicContact CE3-CD2 4.24Å; W48-F166 AromaticContact CE3-CE1 3.88Å; W48-F166 HydrophobicContact CE3-CE1 3.88Å; W48-F166 AromaticContact CE3-CE2 3.72Å; W48-F166 HydrophobicContact CE3-CE2 3.72Å; W48-F166 AromaticContact CE3-CZ 3.51Å; W48-F166 HydrophobicContact CE3-CZ 3.51Å; W48-F166 HydrophobicContact CG-CE2 4.44Å; W48-F166 HydrophobicContact CG-CZ 4.42Å; W48-F166 HydrophobicContact CZ3-CE1 4.34Å; W48-F166 HydrophobicContact CZ3-CZ 4.4Å; W48-K458 HydrophobicContact CZ2-CD 3.61Å; W48-K458 HydrophobicContact CZ2-CG 4.42Å; W48-M460 HydrophobicContact CD2-CG 3.89Å; W48-M460 HydrophobicContact CD2-SD 4.18Å; W48-M460 HydrophobicContact CE3-CG 4.17Å; W48-M460 HydrophobicContact CE3-SD 4.1Å; W48-M460 HydrophobicContact CG-CG 4.12Å; W48-M460 HydrophobicContact CH2-SD 4.18Å; W48-M460 HydrophobicContact CZ2-SD 4.26Å; W48-M460 HydrophobicContact CZ3-SD 4.08Å
49	Q	97.6	Very high	97.2	Very high	73 Å²	73	42 Å²	42	34%	0.341	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.9	166.3	-179.2	172.6	-11.8	0	0	109.1	Y47 H69 K458 F459	Y47-Q49 HydrophobicContact CE1-CB 3.66Å; Y47-Q49 PolarHBondContact OH-OE1 2.78Å; Q49-H69 VanDerWaalsContact CA-O 3.31Å; Q49-H69 WeakPolarHBondContact CA-O 3.3Å; Q49-K458 CarbonylContact O-C 3.56Å; Q49-K458 WeakPolarHBondContact O-CA 3.46Å; Q49-F459 HydrophobicContact CB-CB 4.49Å; Q49-F459 PolarHBondContact N-O 2.89Å; Q49-F459 PolarHBondContact O-N 2.61Å
50	R	97.2	Very high	97.1	Very high	17 Å²	17	44.5 Å²	44.5	6%	0.064	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.6	-178.2	-173.4	178.9	-168	167.5	12.6	110.8	S68 H69 D456 V457 K458	R50-S68 VanDerWaalsContact O-CA 3.31Å; R50-S68 WeakPolarHBondContact O-CA 3.45Å; R50-H69 WeakPolarHBondContact CB-NE2 3.28Å; R50-H69 PolarHBondContact N-O 2.87Å; R50-H69 PolarHBondContact O-N 2.85Å; R50-D456 IonicContact CZ-OD1 3.45Å; R50-D456 IonicContact CZ-OD2 3.89Å; R50-D456 IonicContact NE-OD1 2.79Å; R50-D456 PolarHBondContact NE-OD1 2.88Å; R50-D456 IonicContact NE-OD2 3.53Å; R50-D456 VanDerWaalsContact NH2-CG 3.31Å; R50-D456 IonicContact NH2-OD1 2.79Å; R50-D456 PolarHBondContact NH2-OD1 3.45Å; R50-D456 IonicContact NH2-OD2 3.64Å; R50-D456 PolarHBondContact NH2-OD2 2.77Å; R50-V457 CarbonylContact C-O 3.48Å; R50-V457 VanDerWaalsContact CA-O 3.27Å; R50-V457 WeakPolarHBondContact CA-O 3.2Å; R50-K458 HydrophobicContact CB-CG 4.39Å; R50-K458 HydrophobicContact CG-CG 3.89Å
51	E	97.6	Very high	97	Very high	109 Å²	109	46.6 Å²	46.6	51%	0.509	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.1	167.1	-70	177.1	-161.7	0	0	107.5	V457	E51-V457 PolarHBondContact N-O 2.88Å; E51-V457 PolarHBondContact O-N 2.87Å
52	R	97.8	Very high	96.9	Very high	11 Å²	11	50.5 Å²	50.5	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.5	179.9	-167.6	169	68.7	-168.7	1.9	109.6	N66 L67 H107 E454 R455 D456	R52-N66 HydrophobicContact CG-CB 4.5Å; R52-N66 PolarHBondContact NE-OD1 2.79Å; R52-N66 PolarHBondContact NH2-OD1 3.29Å; R52-N66 WeakPolarHBondContact O-CA 3.4Å; R52-N66 WeakPolarHBondContact O-CB 3.48Å; R52-N66 PolarHBondContact O-N 2.84Å; R52-L67 HydrophobicContact CB-CB 4.11Å; R52-L67 VanDerWaalsContact CZ-CD1 3.48Å; R52-L67 PolarHBondContact N-O 2.85Å; R52-L67 PolarHBondContact O-N 2.82Å; R52-H107 PolarHBondContact NH2-CE1 3.49Å; R52-H107 PolarHBondContact NH2-NE2 2.86Å; R52-E454 WeakPolarHBondContact CD-OE2 3.32Å; R52-E454 IonicContact CZ-OE1 2.88Å; R52-E454 IonicContact NE-OE1 3.74Å; R52-R455 CarbonylContact C-O 3.59Å; R52-R455 VanDerWaalsContact CA-O 3.25Å; R52-R455 WeakPolarHBondContact CA-O 3.38Å; R52-D456 VanDerWaalsContact CB-OD1 3.3Å; R52-D456 WeakPolarHBondContact CB-OD1 3.43Å; R52-D456 WeakPolarHBondContact CD-OD1 3.11Å; R52-D456 HydrophobicContact CG-CB 4.13Å; R52-D456 WeakPolarHBondContact CG-OD1 3.36Å
53	D	98	Very high	96.9	Very high	62 Å²	62	51.5 Å²	51.5	33%	0.332	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.3	169.3	-65.3	-31.9	0	0	0	109.7	Y63 K64 T65 E454 R455	D53-Y63 HydrophobicContact CB-CD1 4.11Å; D53-K64 CarbonylContact C-O 3.56Å; D53-K64 VanDerWaalsContact CA-O 3.24Å; D53-K64 WeakPolarHBondContact CA-O 3.27Å; D53-T65 VanDerWaalsContact OD1-CA 3.28Å; D53-T65 WeakPolarHBondContact OD1-CA 3.42Å; D53-T65 PolarHBondContact OD1-N 2.95Å; D53-E454 VanDerWaalsContact O-CA 3.27Å; D53-E454 WeakPolarHBondContact O-CA 3.36Å; D53-R455 PolarHBondContact N-O 3.24Å; D53-R455 PolarHBondContact O-N 3.12Å
54	R	97.9	Very high	96.9	Very high	29 Å²	29	55.2 Å²	55.2	11%	0.109	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.7	175.6	-172.4	178.7	-64.3	178.3	-4.5	110.3	Y63 K64 N66 S442 Q452 D453 E454	R54-Y63 WeakPolarHBondContact O-CA 3.29Å; R54-K64 PolarHBondContact N-O 2.87Å; R54-K64 PolarHBondContact O-N 2.85Å; R54-N66 HydrophobicContact CB-CB 3.77Å; R54-S442 WeakPolarHBondContact CD-OG 3.14Å; R54-Q452 HydrophobicContact CG-CB 4.33Å; R54-D453 CarbonylContact C-O 3.56Å; R54-D453 WeakPolarHBondContact CA-O 3.32Å; R54-E454 HydrophobicContact CB-CG 3.91Å; R54-E454 HydrophobicContact CG-CG 3.83Å; R54-E454 IonicContact CZ-OE1 2.8Å; R54-E454 IonicContact NE-OE1 3.96Å; R54-E454 PolarHBondContact NE-OE1 3.22Å; R54-E454 IonicContact NH2-OE1 3.68Å; R54-E454 PolarHBondContact NH2-OE1 3.45Å
55	K	98.1	Very high	96.8	Very high	40 Å²	40	57.3 Å²	57.3	17%	0.174	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	135.3	174.2	-175	-175.7	177.3	-165.9	0	111.2	V57 D61 Y63 Q452 D453	K55-V57 HydrophobicContact CD-CG1 4.39Å; K55-V57 HydrophobicContact CG-CG1 4.47Å; K55-D61 WeakPolarHBondContact CE-OD1 3.32Å; K55-Y63 HydrophobicContact CB-CD1 4.37Å; K55-Y63 HydrophobicContact CB-CD2 4.47Å; K55-Y63 HydrophobicContact CB-CE1 4.08Å; K55-Y63 HydrophobicContact CB-CE2 4.19Å; K55-Y63 HydrophobicContact CD-CE2 4.48Å; K55-Y63 HydrophobicContact CG-CE2 4.35Å; K55-Q452 HydrophobicContact CB-CB 4.47Å; K55-Q452 VanDerWaalsContact O-CB 3.22Å; K55-Q452 WeakPolarHBondContact O-CB 3.27Å; K55-D453 HydrophobicContact CB-CB 3.96Å; K55-D453 HydrophobicContact CD-CB 3.94Å; K55-D453 WeakPolarHBondContact CD-OD2 3.22Å; K55-D453 PolarHBondContact N-O 2.8Å; K55-D453 IonicContact NZ-OD2 3.75Å; K55-D453 PolarHBondContact NZ-OD2 3.15Å
56	D	96.7	Very high	96.7	Very high	39 Å²	39	53.9 Å²	53.9	21%	0.209	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	98.7	173.1	-176.3	-5.5	0	0	0	109.9	T58 D59 D61 K62 K64	D56-T58 PolarHBondContact O-N 2.95Å; D56-T58 WeakPolarHBondContact OD1-CA 3.46Å; D56-T58 WeakPolarHBondContact OD1-CB 3.39Å; D56-T58 PolarHBondContact OD1-N 3.17Å; D56-T58 PolarHBondContact OD1-OG1 3.14Å; D56-D59 HydrophobicContact CB-CB 4.43Å; D56-D59 PolarHBondContact O-N 2.83Å; D56-D59 PolarHBondContact OD1-N 3.11Å; D56-D61 WeakPolarHBondContact O-CA 3.43Å; D56-D61 PolarHBondContact O-N 2.74Å; D56-D61 VanDerWaalsContact O-N 3.12Å; D56-K62 PolarHBondContact N-O 3.3Å; D56-K64 HydrophobicContact CB-CD 4.12Å; D56-K64 IonicContact OD2-NZ 3.84Å; D56-K64 PolarHBondContact OD2-NZ 2.98Å
57	V	96.3	Very high	96.5	Very high	26 Å²	26	52.3 Å²	52.3	16%	0.158	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.7	177.9	-60.7	0	0	0	0	113.1	K55 D61 P441 Q452	K55-V57 HydrophobicContact CD-CG1 4.39Å; K55-V57 HydrophobicContact CG-CG1 4.47Å; V57-D61 WeakPolarHBondContact CA-OD1 3.42Å; V57-D61 WeakPolarHBondContact CG1-OD1 3.33Å; V57-P441 HydrophobicContact CG2-CB 4.21Å; V57-P441 HydrophobicContact CG2-CG 3.9Å; V57-Q452 VanDerWaalsContact CG1-CD 3.49Å; V57-Q452 HydrophobicContact CG1-CG 4.05Å; V57-Q452 VanDerWaalsContact CG1-OE1 3.27Å; V57-Q452 HydrophobicContact CG2-CG 4.43Å
58	T	94.7	Very high	96.4	Very high	91 Å²	91	52.2 Å²	52.2	56%	0.558	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-11.3	177.6	72.8	0	0	0	0	113.3	D56 P441	D56-T58 PolarHBondContact O-N 2.95Å; D56-T58 WeakPolarHBondContact OD1-CA 3.46Å; D56-T58 WeakPolarHBondContact OD1-CB 3.39Å; D56-T58 PolarHBondContact OD1-N 3.17Å; D56-T58 PolarHBondContact OD1-OG1 3.14Å; T58-P441 HydrophobicContact CG2-CB 4.15Å; T58-P441 HydrophobicContact CG2-CG 3.63Å
59	D	94.4	Very high	96.4	Very high	59 Å²	59	50.9 Å²	50.9	32%	0.316	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	50.1	176.4	-174.6	11.5	0	0	0	111.4	D56 D61 K62 K64	D56-D59 HydrophobicContact CB-CB 4.43Å; D56-D59 PolarHBondContact O-N 2.83Å; D56-D59 PolarHBondContact OD1-N 3.11Å; D59-D61 PolarHBondContact O-N 2.98Å; D59-K62 WeakPolarHBondContact O-CD 3.36Å; D59-K62 VanDerWaalsContact O-CG 3.32Å; D59-K62 WeakPolarHBondContact O-CG 3.48Å; D59-K62 IonicContact OD1-NZ 2.79Å; D59-K62 PolarHBondContact OD1-NZ 3.11Å; D59-K62 IonicContact OD2-NZ 2.78Å; D59-K64 WeakPolarHBondContact OD2-CE 3.43Å; D59-K64 IonicContact OD2-NZ 2.67Å; D59-K64 PolarHBondContact OD2-NZ 3.36Å
60	G	93.7	Very high	96.4	Very high	63 Å²	63	48.1 Å²	48.1	65%	0.649	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	38.9	174.3	0	0	0	0	0	113.9	K62	G60-K62 PolarHBondContact O-N 3.01Å
61	D	94.7	Very high	96.4	Very high	92 Å²	92	47.3 Å²	47.3	49%	0.492	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	27.1	175.7	-58.3	-53.1	0	0	0	114.5	K55 D56 V57 D59	K55-D61 WeakPolarHBondContact CE-OD1 3.32Å; D56-D61 WeakPolarHBondContact O-CA 3.43Å; D56-D61 PolarHBondContact O-N 2.74Å; D56-D61 VanDerWaalsContact O-N 3.12Å; V57-D61 WeakPolarHBondContact CA-OD1 3.42Å; V57-D61 WeakPolarHBondContact CG1-OD1 3.33Å; D59-D61 PolarHBondContact O-N 2.98Å
62	K	96.5	Very high	96.4	Very high	112 Å²	112	47.1 Å²	47.1	49%	0.487	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.5	177.9	-68.4	174.3	-163.4	146.7	0	111	D56 D59 G60	D56-K62 PolarHBondContact N-O 3.3Å; D59-K62 WeakPolarHBondContact O-CD 3.36Å; D59-K62 VanDerWaalsContact O-CG 3.32Å; D59-K62 WeakPolarHBondContact O-CG 3.48Å; D59-K62 IonicContact OD1-NZ 2.79Å; D59-K62 PolarHBondContact OD1-NZ 3.11Å; D59-K62 IonicContact OD2-NZ 2.78Å; G60-K62 PolarHBondContact O-N 3.01Å
63	Y	97.2	Very high	96.4	Very high	68 Å²	68	46.7 Å²	46.7	27%	0.267	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.8	164	-77.9	-97.5	0	0	0	109.3	D53 R54 K55 D453 R455	D53-Y63 HydrophobicContact CB-CD1 4.11Å; R54-Y63 WeakPolarHBondContact O-CA 3.29Å; K55-Y63 HydrophobicContact CB-CD1 4.37Å; K55-Y63 HydrophobicContact CB-CD2 4.47Å; K55-Y63 HydrophobicContact CB-CE1 4.08Å; K55-Y63 HydrophobicContact CB-CE2 4.19Å; K55-Y63 HydrophobicContact CD-CE2 4.48Å; K55-Y63 HydrophobicContact CG-CE2 4.35Å; Y63-D453 HydrophobicContact CE1-CB 4.44Å; Y63-D453 WeakPolarHBondContact OH-CB 3.43Å; Y63-R455 HydrophobicContact CD1-CG 4.21Å; Y63-R455 HydrophobicContact CE1-CG 3.82Å
64	K	96.4	Very high	96.4	Very high	84 Å²	84	45.3 Å²	45.3	37%	0.365	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.4	178	-65.2	179.3	-179.9	173.2	0	109.4	D53 R54 D56 D59 N66	D53-K64 CarbonylContact C-O 3.56Å; D53-K64 VanDerWaalsContact CA-O 3.24Å; D53-K64 WeakPolarHBondContact CA-O 3.27Å; R54-K64 PolarHBondContact N-O 2.87Å; R54-K64 PolarHBondContact O-N 2.85Å; D56-K64 HydrophobicContact CB-CD 4.12Å; D56-K64 IonicContact OD2-NZ 3.84Å; D56-K64 PolarHBondContact OD2-NZ 2.98Å; D59-K64 WeakPolarHBondContact OD2-CE 3.43Å; D59-K64 IonicContact OD2-NZ 2.67Å; D59-K64 PolarHBondContact OD2-NZ 3.36Å; K64-N66 PolarHBondContact O-N 2.85Å
65	T	96.1	Very high	96.5	Very high	44 Å²	44	44.7 Å²	44.7	27%	0.27	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	126.3	172.4	-59.9	0	0	0	0	109.6	D53 N102	D53-T65 VanDerWaalsContact OD1-CA 3.28Å; D53-T65 WeakPolarHBondContact OD1-CA 3.42Å; D53-T65 PolarHBondContact OD1-N 2.95Å; T65-N102 HydrophobicContact CG2-CB 4.47Å
66	N	95.3	Very high	96.5	Very high	8 Å²	8	47 Å²	47	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-41.7	178	178.4	-92.4	0	0	0	110.5	R52 R54 K64 S106	R52-N66 HydrophobicContact CG-CB 4.5Å; R52-N66 PolarHBondContact NE-OD1 2.79Å; R52-N66 PolarHBondContact NH2-OD1 3.29Å; R52-N66 WeakPolarHBondContact O-CA 3.4Å; R52-N66 WeakPolarHBondContact O-CB 3.48Å; R52-N66 PolarHBondContact O-N 2.84Å; R54-N66 HydrophobicContact CB-CB 3.77Å; K64-N66 PolarHBondContact O-N 2.85Å; N66-S106 PolarHBondContact ND2-OG 3.19Å; N66-S106 PolarHBondContact O-N 2.83Å; N66-S106 PolarHBondContact O-OG 2.85Å
67	L	95.2	Very high	96.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.6	165	-72.4	179.2	0	0	0	109.9	R52 H107 N109	R52-L67 HydrophobicContact CB-CB 4.11Å; R52-L67 VanDerWaalsContact CZ-CD1 3.48Å; R52-L67 PolarHBondContact N-O 2.85Å; R52-L67 PolarHBondContact O-N 2.82Å; L67-H107 WeakPolarHBondContact CD2-O 3.37Å; L67-N109 HydrophobicContact CD2-CB 4.13Å
68	S	96.2	Very high	96.7	Very high	34 Å²	34	46.9 Å²	46.9	24%	0.238	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	104.2	169	177.3	0	0	0	0	109.6	R50 E101 N102 S105	R50-S68 VanDerWaalsContact O-CA 3.31Å; R50-S68 WeakPolarHBondContact O-CA 3.45Å; S68-E101 CarbonylContact O-C 3.54Å; S68-E101 WeakPolarHBondContact O-CA 3.21Å; S68-N102 PolarHBondContact O-N 3.44Å; S68-S105 PolarHBondContact N-OG 3.02Å; S68-S105 VanDerWaalsContact N-OG 3.08Å
69	H	96.5	Very high	96.8	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.4	-169.8	77.2	98.5	0	0	0	113.8	W48 Q49 R50 T71 A100 E101 N109	W48-H69 AromaticContact CD1-CE1 3.95Å; Q49-H69 VanDerWaalsContact CA-O 3.31Å; Q49-H69 WeakPolarHBondContact CA-O 3.3Å; R50-H69 WeakPolarHBondContact CB-NE2 3.28Å; R50-H69 PolarHBondContact N-O 2.87Å; R50-H69 PolarHBondContact O-N 2.85Å; H69-T71 PolarHBondContact ND1-OG1 3.05Å; H69-T71 VanDerWaalsContact ND1-OG1 3.16Å; H69-A100 CarbonylContact C-O 3.44Å; H69-A100 VanDerWaalsContact CA-O 3.25Å; H69-A100 WeakPolarHBondContact CA-O 3.3Å; H69-E101 WeakPolarHBondContact CB-OE2 3.41Å; H69-E101 IonicContact CG-OE2 3.7Å; H69-N109 HydrophobicContact CB-CB 4.42Å
70	S	97.3	Very high	97	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	124.6	167	64.3	0	0	0	0	110.2	Y47 W48 M99 A100	Y47-S70 WeakPolarHBondContact OH-CB 3.14Å; W48-S70 CarbonylContact O-C 3.58Å; W48-S70 WeakPolarHBondContact O-CA 3.39Å; S70-M99 WeakPolarHBondContact O-CB 3.41Å; S70-M99 PolarHBondContact O-N 2.82Å; S70-A100 PolarHBondContact N-O 2.9Å; S70-A100 PolarHBondContact O-N 2.9Å; S70-A100 WeakPolarHBondContact OG-CB 3.48Å; S70-A100 PolarHBondContact OG-N 3.11Å
71	T	97.4	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.4	-172.7	-50.3	0	0	0	0	109.6	Y47 W48 H69 A96 I97 I111 A112	Y47-T71 WeakPolarHBondContact CA-O 3.28Å; W48-T71 PolarHBondContact N-O 2.89Å; W48-T71 PolarHBondContact O-N 2.74Å; H69-T71 PolarHBondContact ND1-OG1 3.05Å; H69-T71 VanDerWaalsContact ND1-OG1 3.16Å; T71-A96 HydrophobicContact CG2-CB 4.33Å; T71-I97 WeakPolarHBondContact CA-O 3.17Å; T71-I111 HydrophobicContact CG2-CB 4.43Å; T71-I111 HydrophobicContact CG2-CG2 3.88Å; T71-A112 HydrophobicContact CG2-CB 3.97Å
72	W	98.1	Very high	97.2	Very high	105 Å²	105	38.7 Å²	38.7	40%	0.398	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143.7	165.3	-71	80.1	0	0	0	110	I45 Y46 Y47 A96 I97	I45-W72 HydrophobicContact CG2-CE3 3.7Å; I45-W72 HydrophobicContact CG2-CZ3 3.65Å; Y46-W72 CarbonylContact O-C 3.52Å; Y46-W72 VanDerWaalsContact O-CA 3.3Å; Y46-W72 WeakPolarHBondContact O-CA 3.49Å; Y47-W72 AromaticContact CD2-CD1 3.82Å; Y47-W72 AromaticContact CD2-CD2 3.86Å; Y47-W72 HydrophobicContact CD2-CD2 3.86Å; Y47-W72 AromaticContact CD2-CE2 3.46Å; Y47-W72 VanDerWaalsContact CD2-CE2 3.46Å; Y47-W72 HydrophobicContact CD2-CG 4.1Å; Y47-W72 AromaticContact CD2-CZ2 3.84Å; Y47-W72 HydrophobicContact CD2-CZ2 3.84Å; Y47-W72 AromaticContact CD2-NE1 3.44Å; Y47-W72 HydrophobicContact CE2-CZ2 4.45Å; Y47-W72 AromaticContact CE2-NE1 3.69Å; Y47-W72 HydrophobicContact CG-CZ2 4.28Å; W72-A96 CarbonylContact O-C 3.58Å; W72-A96 VanDerWaalsContact O-CA 3.32Å; W72-A96 WeakPolarHBondContact O-CA 2.97Å; W72-I97 HydrophobicContact CB-CB 4.34Å; W72-I97 PolarHBondContact N-O 2.83Å; W72-I97 PolarHBondContact O-N 2.93Å
73	N	98.2	Very high	97	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.4	164.3	-57.4	89.5	0	0	0	110.1	Y46 T95 A96 I111 F166 M167	Y46-N73 HydrophobicContact CD2-CB 4.14Å; Y46-N73 PolarHBondContact N-O 2.97Å; Y46-N73 PolarHBondContact O-N 3.39Å; N73-T95 WeakPolarHBondContact CA-O 3.36Å; N73-T95 WeakPolarHBondContact CB-O 3.12Å; N73-T95 PolarHBondContact ND2-O 2.78Å; N73-A96 WeakPolarHBondContact ND2-CA 3.19Å; N73-A96 WeakPolarHBondContact ND2-CB 3.47Å; N73-I111 PolarHBondContact ND2-O 2.79Å; N73-I111 WeakPolarHBondContact OD1-CG2 2.83Å; N73-F166 HydrophobicContact CB-CD2 4.28Å; N73-F166 WeakPolarHBondContact OD1-CD2 3.4Å; N73-M167 HydrophobicContact CB-CE 3.37Å; N73-M167 HydrophobicContact CB-SD 4.04Å; N73-M167 VanDerWaalsContact CG-CE 3.43Å; N73-M167 VanDerWaalsContact ND2-CE 3.28Å; N73-M167 WeakPolarHBondContact ND2-CE 3.34Å
74	A	98.4	Very high	96.7	Very high	34 Å²	34	32.1 Å²	32.1	28%	0.281	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.6	167.6	0	0	0	0	0	109.4	G44 F94 T95	G44-A74 VanDerWaalsContact O-CA 3.23Å; G44-A74 WeakPolarHBondContact O-CA 3.44Å; A74-F94 CarbonylContact O-C 3.58Å; A74-F94 WeakPolarHBondContact O-CA 3.22Å; A74-F94 WeakPolarHBondContact O-CB 3.34Å; A74-T95 HydrophobicContact CB-CG2 4Å; A74-T95 PolarHBondContact N-O 2.85Å; A74-T95 VanDerWaalsContact N-O 3.16Å; A74-T95 PolarHBondContact O-N 2.8Å
75	N	98.5	Very high	96.5	Very high	16 Å²	16	34 Å²	34	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.5	175.7	77.5	-47.4	0	0	0	112.1	G43 G44 Y46 A93 F94 Y134 M167	G43-N75 WeakPolarHBondContact CA-O 3.4Å; G44-N75 PolarHBondContact N-O 3.11Å; G44-N75 PolarHBondContact N-OD1 3.23Å; G44-N75 PolarHBondContact O-N 2.77Å; G44-N75 VanDerWaalsContact O-N 3.12Å; Y46-N75 WeakPolarHBondContact CE2-OD1 3.45Å; Y46-N75 PolarHBondContact OH-OD1 2.9Å; N75-A93 VanDerWaalsContact CA-O 3.3Å; N75-A93 WeakPolarHBondContact CA-O 3.19Å; N75-A93 WeakPolarHBondContact CB-O 3.43Å; N75-F94 HydrophobicContact CB-CB 3.61Å; N75-Y134 HydrophobicContact CB-CE1 4.41Å; N75-Y134 PolarHBondContact ND2-OH 2.93Å; N75-M167 HydrophobicContact CB-CG 4.27Å
76	L	98.6	Very high	96.5	Very high	87 Å²	87	34 Å²	34	46%	0.455	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.5	165.2	-71.1	173.7	0	0	0	107.7	L41 T42 A92 A93 F465 I467	L41-L76 HydrophobicContact CD1-CB 4.22Å; L41-L76 HydrophobicContact CD1-CD2 4.29Å; T42-L76 CarbonylContact O-C 3.53Å; T42-L76 WeakPolarHBondContact O-CA 3.22Å; L76-A92 WeakPolarHBondContact O-CA 3.2Å; L76-A92 WeakPolarHBondContact O-CB 3.47Å; L76-A93 PolarHBondContact N-O 2.81Å; L76-A93 PolarHBondContact O-N 2.79Å; L76-F465 HydrophobicContact CD2-CE2 3.93Å; L76-F465 HydrophobicContact CD2-CZ 3.99Å; L76-I467 HydrophobicContact CD2-CD1 4.1Å
77	D	98.3	Very high	96.5	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	102.7	-179.3	-159.8	-44.3	0	0	0	108.3	L41 T42 Q79 A92 Y134 K135	L41-D77 WeakPolarHBondContact CA-O 3.33Å; T42-D77 PolarHBondContact N-O 3.04Å; T42-D77 PolarHBondContact O-N 2.8Å; D77-Q79 WeakPolarHBondContact OD1-CG 3.15Å; D77-A92 HydrophobicContact CB-CB 3.97Å; D77-Y134 WeakPolarHBondContact CB-OH 3.34Å; D77-Y134 PolarHBondContact OD2-OH 2.82Å; D77-K135 IonicContact OD1-NZ 2.7Å; D77-K135 IonicContact OD2-NZ 2.92Å; D77-K135 PolarHBondContact OD2-NZ 2.89Å
78	F	98.5	Very high	96.6	Very high	51 Å²	51	38.4 Å²	38.4	22%	0.224	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.1	174.1	174.8	-99.7	0	0	0	109.4	T40 L41 D90 I91 F468	T40-F78 WeakPolarHBondContact O-CA 3.26Å; L41-F78 HydrophobicContact CD1-CB 4.06Å; F78-D90 WeakPolarHBondContact O-CA 3.38Å; F78-I91 WeakPolarHBondContact CA-O 3.16Å; F78-I91 WeakPolarHBondContact CB-O 3.47Å; F78-I91 PolarHBondContact N-O 2.8Å; F78-I91 PolarHBondContact O-N 3.09Å; F78-I91 VanDerWaalsContact O-O 3.14Å; F78-F468 HydrophobicContact CD2-CE2 4.46Å; F78-F468 HydrophobicContact CD2-CZ 4.46Å; F78-F468 HydrophobicContact CE2-CE2 4.32Å; F78-F468 HydrophobicContact CE2-CZ 4.5Å
79	Q	97.7	Very high	96.7	Very high	69 Å²	69	40 Å²	40	32%	0.322	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119	171.8	-55	-166.9	-77.2	0	0	108.4	S39 T40 D77 D90	S39-Q79 CarbonylContact C-O 3.59Å; S39-Q79 WeakPolarHBondContact CA-O 3.45Å; S39-Q79 WeakPolarHBondContact CB-O 3.3Å; T40-Q79 PolarHBondContact N-O 3.03Å; T40-Q79 PolarHBondContact O-N 2.89Å; D77-Q79 WeakPolarHBondContact OD1-CG 3.15Å; Q79-D90 WeakPolarHBondContact CA-OD1 3.18Å; Q79-D90 WeakPolarHBondContact CB-OD1 2.79Å
80	S	97.8	Very high	96.8	Very high	4 Å²	4	40 Å²	40	3%	0.028	21%	0.206	C	C	.	.			trans	-69	164.8	173.3	79.8	0	0	0	0	110.9	F35 G88 L89 K139	F35-S80 WeakPolarHBondContact CE2-OG 3.27Å; S80-G88 WeakPolarHBondContact OG-CA 3.48Å; S80-L89 WeakPolarHBondContact CB-O 3.45Å; S80-L89 PolarHBondContact N-O 2.95Å; S80-L89 PolarHBondContact OG-N 2.64Å; S80-L89 PolarHBondContact OG-O 2.81Å; S80-K139 VanDerWaalsContact O-CE 3.23Å; S80-K139 WeakPolarHBondContact O-CE 3.23Å; S80-K139 PolarHBondContact O-NZ 3.34Å
81	G	96.5	Very high	96.9	Very high	4 Å²	4	43 Å²	43	4%	0.041	22%	0.22	C	C	.	.			trans	-70.3	-155.6	156.5	0	0	0	0	0	112.4	G34 F35 G88	G34-G81 CarbonylContact O-C 3.59Å; G34-G81 VanDerWaalsContact O-C 3.29Å; G34-G81 WeakPolarHBondContact O-CA 3.41Å; F35-G81 PolarHBondContact O-N 3.1Å; G81-G88 WeakPolarHBondContact O-CA 3.25Å
82	Y	95.5	Very high	96.9	Very high	56 Å²	56	43 Å²	43	22%	0.22	22%	0.221	C	C	.	.			trans	-120.2	113.2	-179.6	-69.6	-93.9	0	0	0	112.3	G34 D85 M86 F87 K139 K141	G34-Y82 PolarHBondContact O-N 3.16Å; Y82-D85 PolarHBondContact O-N 3.17Å; Y82-M86 WeakPolarHBondContact CD1-O 3.44Å; Y82-F87 CarbonylContact C-O 3.52Å; Y82-F87 VanDerWaalsContact CA-O 3.3Å; Y82-F87 WeakPolarHBondContact CA-O 3.36Å; Y82-K139 HydrophobicContact CE1-CD 4.24Å; Y82-K139 HydrophobicContact CE1-CG 3.98Å; Y82-K141 HydrophobicContact CD1-CD 3.87Å; Y82-K141 HydrophobicContact CD1-CG 3.73Å; Y82-K141 HydrophobicContact CD2-CD 3.92Å; Y82-K141 VanDerWaalsContact CD2-CE 3.42Å; Y82-K141 HydrophobicContact CE1-CB 4.02Å; Y82-K141 HydrophobicContact CE1-CD 3.7Å; Y82-K141 HydrophobicContact CE1-CG 3.59Å; Y82-K141 HydrophobicContact CE2-CD 3.75Å; Y82-K141 HydrophobicContact CG-CD 3.96Å; Y82-K141 HydrophobicContact CG-CG 4.25Å
83	A	94.1	Very high	97	Very high	19 Å²	19	39.5 Å²	39.5	16%	0.157	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-66.4	134.6	168.2	0	0	0	0	0	109.9	A30 F35 D85 M86 F87	A30-A83 HydrophobicContact CB-CB 4.35Å; F35-A83 HydrophobicContact CB-CB 4.31Å; F35-A83 HydrophobicContact CD2-CB 3.83Å; F35-A83 HydrophobicContact CG-CB 4.3Å; A83-D85 PolarHBondContact O-N 3.34Å; A83-D85 VanDerWaalsContact O-N 3.17Å; A83-M86 PolarHBondContact O-N 2.92Å; A83-F87 PolarHBondContact N-O 2.85Å; A83-F87 PolarHBondContact O-N 3.47Å
84	A	90.8	Very high	97	Very high	22 Å²	22	39.7 Å²	39.7	18%	0.182	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	30.3	-173.6	0	0	0	0	0	113.3	P28 M86	P28-A84 HydrophobicContact CB-CB 4.35Å; P28-A84 HydrophobicContact CG-CB 4.05Å; A84-M86 VanDerWaalsContact O-CG 3.3Å; A84-M86 WeakPolarHBondContact O-CG 3.23Å; A84-M86 PolarHBondContact O-N 2.99Å
85	D	91.5	Very high	97	Very high	125 Å²	125	40 Å²	40	67%	0.668	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	8.2	-174.6	-59.8	-53.4	0	0	0	115.2	Y82 A83 K141	Y82-D85 PolarHBondContact O-N 3.17Å; A83-D85 PolarHBondContact O-N 3.34Å; A83-D85 VanDerWaalsContact O-N 3.17Å; D85-K141 WeakPolarHBondContact O-CE 3.02Å; D85-K141 WeakPolarHBondContact O-CG 3.16Å
86	M	95.3	Very high	96.9	Very high	42 Å²	42	39.2 Å²	39.2	21%	0.207	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-40.3	-168.5	-68.8	177	82.5	0	0	113.9	Y82 A83 A84 F140 K141 Y142	Y82-M86 WeakPolarHBondContact CD1-O 3.44Å; A83-M86 PolarHBondContact O-N 2.92Å; A84-M86 VanDerWaalsContact O-CG 3.3Å; A84-M86 WeakPolarHBondContact O-CG 3.23Å; A84-M86 PolarHBondContact O-N 2.99Å; M86-F140 HydrophobicContact CB-CD2 4.33Å; M86-F140 HydrophobicContact CB-CE2 4.05Å; M86-F140 HydrophobicContact CE-CE2 3.42Å; M86-F140 VanDerWaalsContact CE-CE2 3.42Å; M86-F140 HydrophobicContact CE-CZ 3.58Å; M86-F140 CarbonylContact O-C 3.57Å; M86-F140 WeakPolarHBondContact O-CA 3.42Å; M86-K141 WeakPolarHBondContact CA-O 3.27Å; M86-K141 PolarHBondContact O-N 2.78Å; M86-Y142 HydrophobicContact CE-CD2 3.7Å; M86-Y142 HydrophobicContact CE-CE2 4.45Å; M86-Y142 HydrophobicContact CE-CG 4.08Å; M86-Y142 HydrophobicContact CG-CD2 4.47Å; M86-Y142 HydrophobicContact SD-CD2 4.29Å
87	F	96.6	Very high	96.8	Very high	95 Å²	95	38.8 Å²	38.8	42%	0.417	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.2	-168.8	-58.4	-82.9	0	0	0	112.5	M27 Y82 A83 K139 F140	M27-F87 HydrophobicContact SD-CE2 4.34Å; Y82-F87 CarbonylContact C-O 3.52Å; Y82-F87 VanDerWaalsContact CA-O 3.3Å; Y82-F87 WeakPolarHBondContact CA-O 3.36Å; A83-F87 PolarHBondContact N-O 2.85Å; A83-F87 PolarHBondContact O-N 3.47Å; F87-K139 CarbonylContact C-O 3.6Å; F87-F140 AromaticContact CD1-CD2 3.82Å; F87-F140 HydrophobicContact CD1-CD2 3.82Å; F87-F140 AromaticContact CE1-CD2 3.54Å; F87-F140 HydrophobicContact CE1-CD2 3.54Å; F87-F140 AromaticContact CE1-CE2 3.9Å; F87-F140 HydrophobicContact CE1-CE2 3.9Å; F87-F140 HydrophobicContact CZ-CD2 4.06Å; F87-F140 AromaticContact CZ-CE2 3.95Å; F87-F140 HydrophobicContact CZ-CE2 3.95Å
88	G	97.9	Very high	96.5	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	177	178.2	0	0	0	0	0	112.5	S80 G81 A138 K139	S80-G88 WeakPolarHBondContact OG-CA 3.48Å; G81-G88 WeakPolarHBondContact O-CA 3.25Å; G88-A138 WeakPolarHBondContact O-CA 3.46Å; G88-K139 VanDerWaalsContact C-CG 3.44Å; G88-K139 PolarHBondContact N-O 2.89Å; G88-K139 PolarHBondContact O-N 2.81Å
89	L	98.2	Very high	96.2	Very high	66 Å²	66	43.8 Å²	43.8	35%	0.346	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.3	178.3	-174	75.6	0	0	0	109.8	F35 S80 I91 A137	F35-L89 HydrophobicContact CZ-CB 4.39Å; S80-L89 WeakPolarHBondContact CB-O 3.45Å; S80-L89 PolarHBondContact N-O 2.95Å; S80-L89 PolarHBondContact OG-N 2.64Å; S80-L89 PolarHBondContact OG-O 2.81Å; L89-I91 HydrophobicContact CD2-CD1 3.67Å; L89-I91 HydrophobicContact CD2-CG1 4.04Å; L89-I91 HydrophobicContact CG-CD1 4.27Å; L89-I91 HydrophobicContact CG-CG1 4.08Å; L89-A137 CarbonylContact C-O 3.48Å; L89-A137 WeakPolarHBondContact CA-O 3.16Å
90	D	98.3	Very high	95.9	Very high	7 Å²	7	43 Å²	43	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.3	170	-66.4	-22	0	0	0	109.1	F78 Q79 A136 A137 K139	F78-D90 WeakPolarHBondContact O-CA 3.38Å; Q79-D90 WeakPolarHBondContact CA-OD1 3.18Å; Q79-D90 WeakPolarHBondContact CB-OD1 2.79Å; D90-A136 WeakPolarHBondContact O-CA 3.45Å; D90-A137 PolarHBondContact N-O 3.29Å; D90-A137 PolarHBondContact O-N 2.73Å; D90-K139 WeakPolarHBondContact OD1-CD 3.16Å; D90-K139 VanDerWaalsContact OD1-CE 3.3Å; D90-K139 WeakPolarHBondContact OD1-CE 3.47Å; D90-K139 IonicContact OD1-NZ 3.5Å; D90-K139 PolarHBondContact OD1-NZ 2.89Å
91	I	98.5	Very high	95.4	Very high	77 Å²	77	45.3 Å²	45.3	40%	0.395	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.4	176.1	-60.8	177.5	0	0	0	108.1	F78 L89 L133 K135	F78-I91 WeakPolarHBondContact CA-O 3.16Å; F78-I91 WeakPolarHBondContact CB-O 3.47Å; F78-I91 PolarHBondContact N-O 2.8Å; F78-I91 PolarHBondContact O-N 3.09Å; F78-I91 VanDerWaalsContact O-O 3.14Å; L89-I91 HydrophobicContact CD2-CD1 3.67Å; L89-I91 HydrophobicContact CD2-CG1 4.04Å; L89-I91 HydrophobicContact CG-CD1 4.27Å; L89-I91 HydrophobicContact CG-CG1 4.08Å; I91-L133 HydrophobicContact CG2-CD1 3.99Å; I91-K135 WeakPolarHBondContact CA-O 3.23Å
92	A	98.6	Very high	94.9	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.2	177.7	0	0	0	0	0	112	L76 D77 L133 Y134 K135	L76-A92 WeakPolarHBondContact O-CA 3.2Å; L76-A92 WeakPolarHBondContact O-CB 3.47Å; D77-A92 HydrophobicContact CB-CB 3.97Å; A92-L133 WeakPolarHBondContact O-CD1 3.42Å; A92-Y134 VanDerWaalsContact C-CD1 3.47Å; A92-Y134 VanDerWaalsContact C-CE1 3.49Å; A92-Y134 HydrophobicContact CB-CD1 3.86Å; A92-Y134 HydrophobicContact CB-CD2 4.43Å; A92-Y134 HydrophobicContact CB-CE1 3.23Å; A92-Y134 HydrophobicContact CB-CE2 3.85Å; A92-Y134 HydrophobicContact CB-CG 4.44Å; A92-Y134 WeakPolarHBondContact CB-OH 3.45Å; A92-Y134 VanDerWaalsContact O-CD1 3.23Å; A92-Y134 WeakPolarHBondContact O-CD1 3.27Å; A92-Y134 PolarHBondContact O-N 2.76Å; A92-K135 HydrophobicContact CB-CB 3.76Å; A92-K135 HydrophobicContact CB-CD 3.95Å; A92-K135 HydrophobicContact CB-CG 4.16Å; A92-K135 PolarHBondContact N-O 3.44Å; A92-K135 PolarHBondContact O-N 3.12Å
93	A	98.6	Very high	94.3	Very high	32 Å²	32	48.8 Å²	48.8	26%	0.264	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.5	179	0	0	0	0	0	110.2	N75 L76 S132 L133	N75-A93 VanDerWaalsContact CA-O 3.3Å; N75-A93 WeakPolarHBondContact CA-O 3.19Å; N75-A93 WeakPolarHBondContact CB-O 3.43Å; L76-A93 PolarHBondContact N-O 2.81Å; L76-A93 PolarHBondContact O-N 2.79Å; A93-S132 CarbonylContact C-O 3.55Å; A93-S132 VanDerWaalsContact CA-O 3.28Å; A93-S132 WeakPolarHBondContact CA-O 3.13Å; A93-L133 HydrophobicContact CB-CD1 4.27Å
94	F	98.3	Very high	93.9	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.022	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.1	171.8	75.8	-88.4	0	0	0	111.5	A74 N75 F113 I131 S132 Y134 M167 P201	A74-F94 CarbonylContact O-C 3.58Å; A74-F94 WeakPolarHBondContact O-CA 3.22Å; A74-F94 WeakPolarHBondContact O-CB 3.34Å; N75-F94 HydrophobicContact CB-CB 3.61Å; F94-F113 AromaticContact CD2-CZ 3.99Å; F94-F113 HydrophobicContact CD2-CZ 3.99Å; F94-F113 AromaticContact CE2-CE1 3.67Å; F94-F113 HydrophobicContact CE2-CE1 3.67Å; F94-F113 HydrophobicContact CE2-CE2 4.31Å; F94-F113 AromaticContact CE2-CZ 3.34Å; F94-F113 HydrophobicContact CE2-CZ 3.34Å; F94-F113 AromaticContact CZ-CE1 3.7Å; F94-F113 HydrophobicContact CZ-CE1 3.7Å; F94-F113 AromaticContact CZ-CZ 3.77Å; F94-F113 HydrophobicContact CZ-CZ 3.77Å; F94-I131 CarbonylContact O-C 3.59Å; F94-I131 WeakPolarHBondContact O-CA 3.44Å; F94-I131 WeakPolarHBondContact O-CG1 3.3Å; F94-S132 PolarHBondContact N-O 2.84Å; F94-S132 PolarHBondContact O-N 2.85Å; F94-Y134 HydrophobicContact CB-CD1 4.49Å; F94-Y134 AromaticContact CD1-CD1 3.64Å; F94-Y134 HydrophobicContact CD1-CD1 3.64Å; F94-Y134 HydrophobicContact CD1-CE1 4.37Å; F94-Y134 HydrophobicContact CD1-CG 4.13Å; F94-Y134 HydrophobicContact CE1-CD1 4.44Å; F94-M167 HydrophobicContact CB-CB 4.43Å; F94-M167 HydrophobicContact CB-CE 4.39Å; F94-M167 HydrophobicContact CB-CG 3.62Å; F94-M167 HydrophobicContact CB-SD 4.26Å; F94-M167 HydrophobicContact CD1-CB 3.74Å; F94-M167 HydrophobicContact CD1-CG 3.88Å; F94-M167 HydrophobicContact CD2-CB 4.16Å; F94-M167 HydrophobicContact CD2-CE 3.41Å; F94-M167 VanDerWaalsContact CD2-CE 3.41Å; F94-M167 HydrophobicContact CD2-CG 3.99Å; F94-M167 HydrophobicContact CD2-SD 4.32Å; F94-M167 HydrophobicContact CE1-CB 3.93Å; F94-M167 HydrophobicContact CE2-CB 4.3Å; F94-M167 HydrophobicContact CE2-CE 3.79Å; F94-M167 HydrophobicContact CG-CB 3.86Å; F94-M167 HydrophobicContact CG-CE 4.01Å; F94-M167 HydrophobicContact CG-CG 3.56Å; F94-M167 HydrophobicContact CG-SD 4.36Å; F94-M167 HydrophobicContact CZ-CB 4.19Å; F94-P201 VanDerWaalsContact CZ-O 3.25Å; F94-P201 WeakPolarHBondContact CZ-O 3.41Å
95	T	98.4	Very high	93.8	Very high	41 Å²	41	53.7 Å²	53.7	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	152.8	173.4	-174.7	0	0	0	0	110.1	N73 A74 G130	N73-T95 WeakPolarHBondContact CA-O 3.36Å; N73-T95 WeakPolarHBondContact CB-O 3.12Å; N73-T95 PolarHBondContact ND2-O 2.78Å; A74-T95 HydrophobicContact CB-CG2 4Å; A74-T95 PolarHBondContact N-O 2.85Å; A74-T95 VanDerWaalsContact N-O 3.16Å; A74-T95 PolarHBondContact O-N 2.8Å; T95-G130 VanDerWaalsContact CA-O 3.25Å; T95-G130 WeakPolarHBondContact CA-O 3.36Å; T95-G130 WeakPolarHBondContact CB-O 3.46Å; T95-G130 PolarHBondContact OG1-O 2.92Å
96	A	97.8	Very high	93.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.4	165.5	0	0	0	0	0	107.7	T71 W72 N73 F113 S129 G130	T71-A96 HydrophobicContact CG2-CB 4.33Å; W72-A96 CarbonylContact O-C 3.58Å; W72-A96 VanDerWaalsContact O-CA 3.32Å; W72-A96 WeakPolarHBondContact O-CA 2.97Å; N73-A96 WeakPolarHBondContact ND2-CA 3.19Å; N73-A96 WeakPolarHBondContact ND2-CB 3.47Å; A96-F113 HydrophobicContact CB-CD2 3.74Å; A96-F113 HydrophobicContact CB-CE2 3.55Å; A96-F113 HydrophobicContact CB-CZ 4.36Å; A96-S129 CarbonylContact O-C 3.6Å; A96-S129 WeakPolarHBondContact O-CA 3.31Å; A96-S129 WeakPolarHBondContact O-CB 3.27Å; A96-G130 PolarHBondContact N-O 2.8Å; A96-G130 VanDerWaalsContact N-O 3.12Å; A96-G130 PolarHBondContact O-N 2.88Å
97	I	96.4	Very high	92.9	Very high	78 Å²	78	50.4 Å²	50.4	40%	0.4	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	105.7	177.5	-55.5	172.4	0	0	0	106.7	T71 W72 M99 S129	T71-I97 WeakPolarHBondContact CA-O 3.17Å; W72-I97 HydrophobicContact CB-CB 4.34Å; W72-I97 PolarHBondContact N-O 2.83Å; W72-I97 PolarHBondContact O-N 2.93Å; I97-M99 HydrophobicContact CG2-SD 3.94Å; I97-M99 PolarHBondContact O-N 2.85Å; I97-S129 WeakPolarHBondContact CA-OG 3.38Å
98	E	91.7	Very high	92.6	Very high	50 Å²	50	45.9 Å²	45.9	23%	0.234	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.1	173.3	-173.9	-173.3	-164.2	0	0	108.6	E101 K128 S129	E98-E101 HydrophobicContact CG-CB 4.23Å; E98-E101 WeakPolarHBondContact OE1-CB 3.44Å; E98-E101 WeakPolarHBondContact OE1-CG 3.47Å; E98-K128 WeakPolarHBondContact OE2-CA 3.42Å; E98-S129 PolarHBondContact N-OG 2.84Å
99	M	92.4	Very high	92.4	Very high	118 Å²	118	45.6 Å²	45.6	58%	0.581	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	-37.1	-177.7	-68.5	-62.9	-60	0	0	112.3	S70 I97	S70-M99 WeakPolarHBondContact O-CB 3.41Å; S70-M99 PolarHBondContact O-N 2.82Å; I97-M99 HydrophobicContact CG2-SD 3.94Å; I97-M99 PolarHBondContact O-N 2.85Å
100	A	90.2	Very high	92.2	Very high	54 Å²	54	45.3 Å²	45.3	45%	0.446	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	140.6	174	0	0	0	0	0	108.6	H69 S70	H69-A100 CarbonylContact C-O 3.44Å; H69-A100 VanDerWaalsContact CA-O 3.25Å; H69-A100 WeakPolarHBondContact CA-O 3.3Å; S70-A100 PolarHBondContact N-O 2.9Å; S70-A100 PolarHBondContact O-N 2.9Å; S70-A100 WeakPolarHBondContact OG-CB 3.48Å; S70-A100 PolarHBondContact OG-N 3.11Å
101	E	88	Confident	92.1	Very high	51 Å²	51	45.4 Å²	45.4	24%	0.238	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	134	174.8	-179.7	64.5	-119.2	0	0	107	S68 H69 E98 S105 N109	S68-E101 CarbonylContact O-C 3.54Å; S68-E101 WeakPolarHBondContact O-CA 3.21Å; H69-E101 WeakPolarHBondContact CB-OE2 3.41Å; H69-E101 IonicContact CG-OE2 3.7Å; E98-E101 HydrophobicContact CG-CB 4.23Å; E98-E101 WeakPolarHBondContact OE1-CB 3.44Å; E98-E101 WeakPolarHBondContact OE1-CG 3.47Å; E101-S105 WeakPolarHBondContact OE1-CB 3.47Å; E101-S105 PolarHBondContact OE1-OG 2.97Å; E101-N109 PolarHBondContact OE2-ND2 2.91Å
102	N	85.8	Confident	91.9	Very high	55 Å²	55	41.8 Å²	41.8	29%	0.294	25%	0.252	S	S	.	.			trans	-78.6	130.5	174.7	-170.2	-16.4	0	0	0	109.2	T65 S68 D104 S105	T65-N102 HydrophobicContact CG2-CB 4.47Å; S68-N102 PolarHBondContact O-N 3.44Å; N102-D104 PolarHBondContact O-N 2.79Å; N102-D104 VanDerWaalsContact O-N 3.11Å; N102-D104 PolarHBondContact OD1-N 2.84Å; N102-S105 VanDerWaalsContact O-CB 3.29Å; N102-S105 WeakPolarHBondContact O-CB 3.46Å; N102-S105 PolarHBondContact O-N 3.48Å; N102-S105 PolarHBondContact O-OG 2.9Å
103	G	83.6	Confident	91.8	Very high	78 Å²	78	41.8 Å²	41.8	80%	0.804	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.5	175.9	0	0	0	0	0	114.1	S105	G103-S105 VanDerWaalsContact C-N 3.35Å
104	D	85.6	Confident	91.6	Very high	120 Å²	120	40.2 Å²	40.2	64%	0.642	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.3	174.8	-63.9	-28	0	0	0	113.4	N102 S106	N102-D104 PolarHBondContact O-N 2.79Å; N102-D104 VanDerWaalsContact O-N 3.11Å; N102-D104 PolarHBondContact OD1-N 2.84Å; D104-S106 PolarHBondContact O-N 2.66Å
105	S	88	Confident	91.4	Very high	25 Å²	25	45.1 Å²	45.1	18%	0.175	26%	0.261	C	S	.	.			trans	-59.1	135.1	174.3	-73.1	0	0	0	0	111	S68 E101 N102 G103	S68-S105 PolarHBondContact N-OG 3.02Å; S68-S105 VanDerWaalsContact N-OG 3.08Å; E101-S105 WeakPolarHBondContact OE1-CB 3.47Å; E101-S105 PolarHBondContact OE1-OG 2.97Å; N102-S105 VanDerWaalsContact O-CB 3.29Å; N102-S105 WeakPolarHBondContact O-CB 3.46Å; N102-S105 PolarHBondContact O-N 3.48Å; N102-S105 PolarHBondContact O-OG 2.9Å; G103-S105 VanDerWaalsContact C-N 3.35Å
106	S	82.7	Confident	91.3	Very high	61 Å²	61	43.8 Å²	43.8	43%	0.427	25%	0.253	S	S	.	.			trans	-86.4	-14.4	-166.3	62.1	0	0	0	0	115	N66 D104	N66-S106 PolarHBondContact ND2-OG 3.19Å; N66-S106 PolarHBondContact O-N 2.83Å; N66-S106 PolarHBondContact O-OG 2.85Å; D104-S106 PolarHBondContact O-N 2.66Å
107	H	85	Confident	91.2	Very high	36 Å²	36	46.1 Å²	46.1	17%	0.167	27%	0.266	C	S	.	.	S	Bend	trans	-165.2	168.9	-178	61.2	79.2	0	0	0	110.2	R52 L67 W124	R52-H107 PolarHBondContact NH2-CE1 3.49Å; R52-H107 PolarHBondContact NH2-NE2 2.86Å; L67-H107 WeakPolarHBondContact CD2-O 3.37Å; H107-W124 HydrophobicContact CB-CE3 3.78Å; H107-W124 HydrophobicContact CB-CZ3 4.23Å
108	P	90.6	Very high	91.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.			trans	-54.5	141.5	175.3	-26.7	36.4	0	0	0	112.5	E110 D127	P108-E110 VanDerWaalsContact C-N 3.25Å; P108-E110 PolarHBondContact O-N 2.89Å; P108-D127 VanDerWaalsContact CA-OD2 3.31Å; P108-D127 WeakPolarHBondContact CA-OD2 3.42Å
109	N	93.2	Very high	91.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.011	25%	0.25	C	C	.	.			trans	-78.4	-6.2	-174.8	67.6	50.2	0	0	0	114.5	L67 H69 E101 I111 A112 D127	L67-N109 HydrophobicContact CD2-CB 4.13Å; H69-N109 HydrophobicContact CB-CB 4.42Å; E101-N109 PolarHBondContact OE2-ND2 2.91Å; N109-I111 PolarHBondContact O-N 3.1Å; N109-I111 VanDerWaalsContact O-N 3.1Å; N109-I111 WeakPolarHBondContact OD1-CA 3.42Å; N109-I111 WeakPolarHBondContact OD1-CB 3.41Å; N109-I111 PolarHBondContact OD1-N 3.42Å; N109-A112 PolarHBondContact OD1-N 3.24Å; N109-D127 PolarHBondContact N-OD1 3.19Å; N109-D127 PolarHBondContact N-OD2 2.66Å; N109-D127 PolarHBondContact ND2-OD2 2.91Å; N109-D127 VanDerWaalsContact ND2-OD2 3.14Å
110	E	94.4	Very high	91.5	Very high	61 Å²	61	38.6 Å²	38.6	29%	0.285	23%	0.227	S	C	.	.	S	Bend	trans	66.2	3	177.9	-58.6	175.2	165.9	0	0	115	P108 S165 W202 Y332	P108-E110 VanDerWaalsContact C-N 3.25Å; P108-E110 PolarHBondContact O-N 2.89Å; E110-S165 WeakPolarHBondContact O-CB 3.37Å; E110-W202 HydrophobicContact CB-CD2 3.91Å; E110-W202 HydrophobicContact CB-CE3 3.61Å; E110-W202 HydrophobicContact CB-CG 4.45Å; E110-W202 HydrophobicContact CB-CH2 4.42Å; E110-W202 HydrophobicContact CB-CZ3 3.88Å; E110-W202 HydrophobicContact CG-CD2 3.94Å; E110-W202 HydrophobicContact CG-CE3 4.07Å; E110-W202 HydrophobicContact CG-CG 4.44Å; E110-W202 HydrophobicContact CG-CH2 4.29Å; E110-W202 HydrophobicContact CG-CZ2 4.19Å; E110-W202 HydrophobicContact CG-CZ3 4.23Å; E110-Y332 WeakPolarHBondContact CG-OH 3.36Å; E110-Y332 WeakPolarHBondContact OE1-CE2 3.37Å; E110-Y332 PolarHBondContact OE1-OH 3.32Å
111	I	95.8	Very high	91.6	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.041	23%	0.233	C	C	.	.	S	Bend	trans	-106.3	-38.9	175.6	-51.9	-51.3	0	0	0	111.1	W48 T71 N73 N109 F166	W48-I111 HydrophobicContact CB-CG1 4.42Å; W48-I111 HydrophobicContact CB-CG2 3.95Å; W48-I111 HydrophobicContact CD2-CD1 3.77Å; W48-I111 HydrophobicContact CD2-CG1 3.81Å; W48-I111 HydrophobicContact CE3-CD1 3.33Å; W48-I111 HydrophobicContact CE3-CG1 3.87Å; W48-I111 HydrophobicContact CE3-CG2 4.47Å; W48-I111 HydrophobicContact CG-CG1 4.08Å; W48-I111 HydrophobicContact CG-CG2 4.48Å; W48-I111 HydrophobicContact CH2-CD1 3.84Å; W48-I111 HydrophobicContact CZ2-CD1 4.21Å; W48-I111 HydrophobicContact CZ3-CD1 3.39Å; W48-I111 HydrophobicContact CZ3-CG1 4.35Å; T71-I111 HydrophobicContact CG2-CB 4.43Å; T71-I111 HydrophobicContact CG2-CG2 3.88Å; N73-I111 PolarHBondContact ND2-O 2.79Å; N73-I111 WeakPolarHBondContact OD1-CG2 2.83Å; N109-I111 PolarHBondContact O-N 3.1Å; N109-I111 VanDerWaalsContact O-N 3.1Å; N109-I111 WeakPolarHBondContact OD1-CA 3.42Å; N109-I111 WeakPolarHBondContact OD1-CB 3.41Å; N109-I111 PolarHBondContact OD1-N 3.42Å; I111-F166 HydrophobicContact CG2-CD2 4.27Å; I111-F166 HydrophobicContact CG2-CE2 4.37Å
112	A	95.5	Very high	91.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	23%	0.225	C	C	.	.	S	Bend	trans	-82.9	-178.4	166.3	0	0	0	0	0	110.7	T71 N109 D127 W202	T71-A112 HydrophobicContact CG2-CB 3.97Å; N109-A112 PolarHBondContact OD1-N 3.24Å; A112-D127 HydrophobicContact CB-CB 3.76Å; A112-W202 WeakPolarHBondContact O-CA 3.43Å; A112-W202 WeakPolarHBondContact O-CB 3.34Å
113	F	96.1	Very high	92.3	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.2	171.8	-63.7	-73.4	0	0	0	109.5	F94 A96 D127 K128 G130 P201 W202 L204	F94-F113 AromaticContact CD2-CZ 3.99Å; F94-F113 HydrophobicContact CD2-CZ 3.99Å; F94-F113 AromaticContact CE2-CE1 3.67Å; F94-F113 HydrophobicContact CE2-CE1 3.67Å; F94-F113 HydrophobicContact CE2-CE2 4.31Å; F94-F113 AromaticContact CE2-CZ 3.34Å; F94-F113 HydrophobicContact CE2-CZ 3.34Å; F94-F113 AromaticContact CZ-CE1 3.7Å; F94-F113 HydrophobicContact CZ-CE1 3.7Å; F94-F113 AromaticContact CZ-CZ 3.77Å; F94-F113 HydrophobicContact CZ-CZ 3.77Å; A96-F113 HydrophobicContact CB-CD2 3.74Å; A96-F113 HydrophobicContact CB-CE2 3.55Å; A96-F113 HydrophobicContact CB-CZ 4.36Å; F113-D127 CarbonylContact O-C 3.2Å; F113-D127 VanDerWaalsContact O-CA 3.24Å; F113-D127 WeakPolarHBondContact O-CA 3.09Å; F113-K128 HydrophobicContact CB-CG 4.08Å; F113-K128 PolarHBondContact N-O 2.69Å; F113-K128 VanDerWaalsContact N-O 3.08Å; F113-K128 PolarHBondContact O-N 2.71Å; F113-G130 VanDerWaalsContact CD2-CA 3.49Å; F113-G130 VanDerWaalsContact CE2-O 3.3Å; F113-G130 WeakPolarHBondContact CE2-O 3.48Å; F113-P201 VanDerWaalsContact CE1-O 3.26Å; F113-P201 WeakPolarHBondContact CE1-O 3.23Å; F113-W202 CarbonylContact C-O 3.51Å; F113-W202 VanDerWaalsContact CA-O 3.28Å; F113-W202 WeakPolarHBondContact CA-O 3.48Å; F113-L204 HydrophobicContact CB-CD2 4.46Å; F113-L204 HydrophobicContact CB-CG 4.27Å; F113-L204 HydrophobicContact CD1-CD2 3.41Å; F113-L204 VanDerWaalsContact CD1-CD2 3.41Å; F113-L204 HydrophobicContact CD1-CG 3.84Å; F113-L204 HydrophobicContact CD2-CD2 3.97Å; F113-L204 HydrophobicContact CE1-CD2 3.47Å; F113-L204 VanDerWaalsContact CE1-CD2 3.47Å; F113-L204 HydrophobicContact CE1-CG 4.35Å; F113-L204 HydrophobicContact CE2-CD2 4.01Å; F113-L204 HydrophobicContact CG-CD2 3.67Å; F113-L204 HydrophobicContact CG-CG 3.98Å; F113-L204 HydrophobicContact CZ-CD2 3.76Å
114	S	94.8	Very high	92.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	147.6	166.6	175.4	0	0	0	0	110.2	S116 E122 K128 W202	S114-S116 CarbonylContact C-O 3.46Å; S114-S116 WeakPolarHBondContact CB-O 3.3Å; S114-S116 PolarHBondContact O-N 2.86Å; S114-S116 VanDerWaalsContact O-O 3.06Å; S114-S116 PolarHBondContact OG-N 2.91Å; S114-S116 VanDerWaalsContact OG-N 3.12Å; S114-S116 PolarHBondContact OG-O 2.82Å; S114-E122 VanDerWaalsContact CB-OE2 3.3Å; S114-E122 WeakPolarHBondContact CB-OE2 3.3Å; S114-E122 VanDerWaalsContact OG-CD 3.27Å; S114-E122 PolarHBondContact OG-OE1 2.98Å; S114-E122 VanDerWaalsContact OG-OE1 3.07Å; S114-E122 PolarHBondContact OG-OE2 2.79Å; S114-K128 WeakPolarHBondContact O-CE 3.32Å; S114-K128 PolarHBondContact O-NZ 2.96Å; S114-W202 PolarHBondContact N-O 3.4Å
115	K	94.1	Very high	92.9	Very high	108 Å²	108	40.1 Å²	40.1	47%	0.47	21%	0.205	S	C	.	.	S	Bend	trans	-60.7	-35.3	169.5	-77.6	-178.9	-164	159.3	0	111.1	S125 G126 D127 K128	K115-S125 VanDerWaalsContact CB-OG 3.32Å; K115-S125 WeakPolarHBondContact CB-OG 3.37Å; K115-S125 WeakPolarHBondContact CD-O 3.42Å; K115-S125 WeakPolarHBondContact CE-O 3.19Å; K115-S125 PolarHBondContact NZ-O 3.04Å; K115-G126 WeakPolarHBondContact CG-O 3.49Å; K115-G126 PolarHBondContact N-O 3.44Å; K115-D127 WeakPolarHBondContact CE-O 3.41Å; K115-D127 WeakPolarHBondContact CG-O 3.48Å; K115-K128 HydrophobicContact CG-CB 4.37Å; K115-K128 PolarHBondContact O-NZ 2.88Å
116	S	95.1	Very high	93.1	Very high	13 Å²	13	39.7 Å²	39.7	9%	0.091	21%	0.205	C	C	.	.	S	Bend	trans	-67.1	129.5	165	-73.1	0	0	0	0	109.6	S114 K118 D121 D123 H203	S114-S116 CarbonylContact C-O 3.46Å; S114-S116 WeakPolarHBondContact CB-O 3.3Å; S114-S116 PolarHBondContact O-N 2.86Å; S114-S116 VanDerWaalsContact O-O 3.06Å; S114-S116 PolarHBondContact OG-N 2.91Å; S114-S116 VanDerWaalsContact OG-N 3.12Å; S114-S116 PolarHBondContact OG-O 2.82Å; S116-K118 VanDerWaalsContact C-N 3.28Å; S116-K118 PolarHBondContact O-N 2.86Å; S116-D121 PolarHBondContact OG-O 3.04Å; S116-D123 PolarHBondContact OG-N 2.98Å; S116-D123 PolarHBondContact OG-OD1 3.33Å; S116-H203 PolarHBondContact O-CD2 3.19Å
117	N	95.4	Very high	93.6	Very high	49 Å²	49	37.1 Å²	37.1	26%	0.262	19%	0.186	S	C	.	.	S	Bend	trans	-79.6	-13.9	-179.5	-77.6	-24	0	0	0	113.5	K128 H203 L204 E205	N117-K128 PolarHBondContact OD1-NZ 2.85Å; N117-H203 WeakPolarHBondContact O-CB 3.32Å; N117-L204 PolarHBondContact O-N 3.16Å; N117-L204 VanDerWaalsContact O-N 3.16Å; N117-E205 HydrophobicContact CB-CB 4.18Å; N117-E205 HydrophobicContact CB-CG 3.89Å; N117-E205 WeakPolarHBondContact CB-OE1 3.19Å; N117-E205 PolarHBondContact ND2-OE1 2.8Å; N117-E205 PolarHBondContact O-N 2.68Å
118	K	96.1	Very high	94	Very high	60 Å²	60	38 Å²	38	26%	0.261	19%	0.19	S	C	.	.	S	Bend	trans	-136.6	152.3	-167.8	-71.4	-172.3	175.4	-166.3	0	110.9	S116 D121 E122 H203 E205 D207	S116-K118 VanDerWaalsContact C-N 3.28Å; S116-K118 PolarHBondContact O-N 2.86Å; K118-D121 HydrophobicContact CB-CB 4.24Å; K118-E122 PolarHBondContact O-N 3.17Å; K118-H203 PolarHBondContact O-NE2 2.81Å; K118-E205 VanDerWaalsContact CE-OE2 3.22Å; K118-E205 WeakPolarHBondContact CE-OE2 3.32Å; K118-E205 HydrophobicContact CG-CB 3.82Å; K118-D207 WeakPolarHBondContact CB-OD2 3.43Å
119	A	95.7	Very high	94.3	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.041	21%	0.209	C	C	.	.	S	Bend	trans	-71.5	-42.5	-173.8	0	0	0	0	0	112.9	D121 E122 D207 A333	A119-D121 VanDerWaalsContact C-N 3.32Å; A119-E122 VanDerWaalsContact O-CB 3.28Å; A119-E122 WeakPolarHBondContact O-CB 3.4Å; A119-E122 PolarHBondContact O-N 3.28Å; A119-D207 PolarHBondContact N-OD2 2.72Å; A119-A333 HydrophobicContact CB-CB 3.93Å
120	Y	95.2	Very high	94.5	Very high	23 Å²	23	41.5 Å²	41.5	9%	0.09	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.8	-176.8	-68.4	-85.4	0	0	0	113.2	D207 E208 Y210 K214 T331 S334	Y120-D207 HydrophobicContact CD2-CB 4.43Å; Y120-D207 VanDerWaalsContact CD2-OD2 3.3Å; Y120-D207 WeakPolarHBondContact CD2-OD2 3.35Å; Y120-D207 PolarHBondContact N-OD2 3.03Å; Y120-D207 VanDerWaalsContact N-OD2 3.08Å; Y120-E208 WeakPolarHBondContact CD2-O 3.37Å; Y120-E208 WeakPolarHBondContact CE2-O 3.44Å; Y120-Y210 AromaticContact CD1-CD2 3.83Å; Y120-Y210 HydrophobicContact CD1-CD2 3.83Å; Y120-Y210 HydrophobicContact CD1-CG 4.36Å; Y120-Y210 AromaticContact CD2-CD2 3.52Å; Y120-Y210 HydrophobicContact CD2-CD2 3.52Å; Y120-Y210 HydrophobicContact CD2-CE2 4.04Å; Y120-Y210 AromaticContact CE1-CD2 3.93Å; Y120-Y210 HydrophobicContact CE1-CD2 3.93Å; Y120-Y210 HydrophobicContact CE1-CG 4.25Å; Y120-Y210 AromaticContact CE2-CD2 3.66Å; Y120-Y210 HydrophobicContact CE2-CD2 3.66Å; Y120-Y210 HydrophobicContact CE2-CE2 4.44Å; Y120-Y210 AromaticContact CG-CD2 3.61Å; Y120-Y210 HydrophobicContact CG-CD2 3.61Å; Y120-Y210 HydrophobicContact CG-CE2 4.22Å; Y120-Y210 AromaticContact CZ-CD2 3.82Å; Y120-Y210 PolarHBondContact OH-N 2.72Å; Y120-Y210 PolarHBondContact OH-O 2.95Å; Y120-K214 HydrophobicContact CD1-CB 4.04Å; Y120-K214 HydrophobicContact CD1-CG 4.07Å; Y120-T331 HydrophobicContact CD1-CG2 4.36Å; Y120-T331 HydrophobicContact CE1-CG2 4.03Å; Y120-S334 VanDerWaalsContact CZ-CB 3.43Å; Y120-S334 WeakPolarHBondContact OH-CB 3.49Å
121	D	93.8	Very high	94.7	Very high	110 Å²	110	44.4 Å²	44.4	59%	0.588	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	11.4	171.8	-62.4	-33.4	0	0	0	113	S116 K118 A119 D123	S116-D121 PolarHBondContact OG-O 3.04Å; K118-D121 HydrophobicContact CB-CB 4.24Å; A119-D121 VanDerWaalsContact C-N 3.32Å; D121-D123 PolarHBondContact O-N 3.26Å
122	E	94.3	Very high	94.8	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.061	23%	0.234	C	C	.	.			trans	-62.1	118	-179.4	-175.6	58.1	-116.1	0	0	111.2	S114 K118 A119 W124 H203 Y332	S114-E122 VanDerWaalsContact CB-OE2 3.3Å; S114-E122 WeakPolarHBondContact CB-OE2 3.3Å; S114-E122 VanDerWaalsContact OG-CD 3.27Å; S114-E122 PolarHBondContact OG-OE1 2.98Å; S114-E122 VanDerWaalsContact OG-OE1 3.07Å; S114-E122 PolarHBondContact OG-OE2 2.79Å; K118-E122 PolarHBondContact O-N 3.17Å; A119-E122 VanDerWaalsContact O-CB 3.28Å; A119-E122 WeakPolarHBondContact O-CB 3.4Å; A119-E122 PolarHBondContact O-N 3.28Å; E122-W124 HydrophobicContact CG-CD2 3.95Å; E122-W124 HydrophobicContact CG-CE3 4.04Å; E122-W124 HydrophobicContact CG-CH2 4.25Å; E122-W124 HydrophobicContact CG-CZ2 4.15Å; E122-W124 HydrophobicContact CG-CZ3 4.19Å; E122-W124 WeakPolarHBondContact OE1-CA 3.47Å; E122-W124 PolarHBondContact OE1-N 2.89Å; E122-H203 IonicContact OE2-CD2 3.12Å; E122-H203 IonicContact OE2-CE1 2.74Å; E122-H203 IonicContact OE2-NE2 3.19Å; E122-H203 PolarHBondContact OE2-NE2 2.69Å; E122-Y332 HydrophobicContact CG-CD1 4.32Å; E122-Y332 HydrophobicContact CG-CE1 4.17Å
123	D	93.2	Very high	94.9	Very high	100 Å²	100	47.5 Å²	47.5	54%	0.535	25%	0.25	S	S	.	.			trans	-111.7	1.9	-178.2	74.8	-3.4	0	0	0	113.2	S116 D121 S125	S116-D123 PolarHBondContact OG-N 2.98Å; S116-D123 PolarHBondContact OG-OD1 3.33Å; D121-D123 PolarHBondContact O-N 3.26Å; D123-S125 PolarHBondContact O-N 3.45Å; D123-S125 WeakPolarHBondContact OD1-CB 3.3Å; D123-S125 PolarHBondContact OD1-N 2.87Å; D123-S125 PolarHBondContact OD1-OG 3.16Å
124	W	92.1	Very high	95	Very high	115 Å²	115	47.8 Å²	47.8	44%	0.436	25%	0.251	S	S	.	.			trans	63.1	23	176.9	-42.4	94.6	0	0	0	113.7	H107 E122 G126 Y332	H107-W124 HydrophobicContact CB-CE3 3.78Å; H107-W124 HydrophobicContact CB-CZ3 4.23Å; E122-W124 HydrophobicContact CG-CD2 3.95Å; E122-W124 HydrophobicContact CG-CE3 4.04Å; E122-W124 HydrophobicContact CG-CH2 4.25Å; E122-W124 HydrophobicContact CG-CZ2 4.15Å; E122-W124 HydrophobicContact CG-CZ3 4.19Å; E122-W124 WeakPolarHBondContact OE1-CA 3.47Å; E122-W124 PolarHBondContact OE1-N 2.89Å; W124-G126 PolarHBondContact O-N 3.34Å; W124-G126 VanDerWaalsContact O-N 3.09Å; W124-Y332 AromaticContact CH2-CD1 3.53Å; W124-Y332 HydrophobicContact CH2-CD1 3.53Å; W124-Y332 HydrophobicContact CH2-CD2 4.08Å; W124-Y332 AromaticContact CH2-CE1 3.77Å; W124-Y332 HydrophobicContact CH2-CE1 3.77Å; W124-Y332 HydrophobicContact CH2-CE2 4.3Å; W124-Y332 AromaticContact CH2-CG 3.7Å; W124-Y332 HydrophobicContact CH2-CG 3.7Å; W124-Y332 HydrophobicContact CZ2-CD1 4.32Å; W124-Y332 HydrophobicContact CZ3-CD1 4.07Å; W124-Y332 AromaticContact CZ3-CE1 3.79Å; W124-Y332 HydrophobicContact CZ3-CE1 3.79Å; W124-Y332 HydrophobicContact CZ3-CE2 4.35Å; W124-Y332 HydrophobicContact CZ3-CG 4.44Å; W124-Y332 AromaticContact CZ3-CZ 3.95Å
125	S	90.4	Very high	95.1	Very high	51 Å²	51	49.6 Å²	49.6	36%	0.357	26%	0.259	S	S	.	.			trans	-74.2	5.4	-176.4	60.7	0	0	0	0	115.1	K115 D123	K115-S125 VanDerWaalsContact CB-OG 3.32Å; K115-S125 WeakPolarHBondContact CB-OG 3.37Å; K115-S125 WeakPolarHBondContact CD-O 3.42Å; K115-S125 WeakPolarHBondContact CE-O 3.19Å; K115-S125 PolarHBondContact NZ-O 3.04Å; D123-S125 PolarHBondContact O-N 3.45Å; D123-S125 WeakPolarHBondContact OD1-CB 3.3Å; D123-S125 PolarHBondContact OD1-N 2.87Å; D123-S125 PolarHBondContact OD1-OG 3.16Å
126	G	90.7	Very high	95.3	Very high	17 Å²	17	46 Å²	46	18%	0.175	25%	0.25	C	S	.	.			trans	100.6	-162.2	176.6	0	0	0	0	0	113.1	K115 W124	K115-G126 WeakPolarHBondContact CG-O 3.49Å; K115-G126 PolarHBondContact N-O 3.44Å; W124-G126 PolarHBondContact O-N 3.34Å; W124-G126 VanDerWaalsContact O-N 3.09Å
127	D	93.8	Very high	95.5	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.032	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	169.4	-170.2	-65.8	-79.3	0	0	0	113.7	P108 N109 A112 F113 K115	P108-D127 VanDerWaalsContact CA-OD2 3.31Å; P108-D127 WeakPolarHBondContact CA-OD2 3.42Å; N109-D127 PolarHBondContact N-OD1 3.19Å; N109-D127 PolarHBondContact N-OD2 2.66Å; N109-D127 PolarHBondContact ND2-OD2 2.91Å; N109-D127 VanDerWaalsContact ND2-OD2 3.14Å; A112-D127 HydrophobicContact CB-CB 3.76Å; F113-D127 CarbonylContact O-C 3.2Å; F113-D127 VanDerWaalsContact O-CA 3.24Å; F113-D127 WeakPolarHBondContact O-CA 3.09Å; K115-D127 WeakPolarHBondContact CE-O 3.41Å; K115-D127 WeakPolarHBondContact CG-O 3.48Å
128	K	94.7	Very high	95.7	Very high	54 Å²	54	46 Å²	46	24%	0.235	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.4	172.4	68.1	-177.4	176.7	-148.8	0	111.1	E98 F113 S114 K115 N117	E98-K128 WeakPolarHBondContact OE2-CA 3.42Å; F113-K128 HydrophobicContact CB-CG 4.08Å; F113-K128 PolarHBondContact N-O 2.69Å; F113-K128 VanDerWaalsContact N-O 3.08Å; F113-K128 PolarHBondContact O-N 2.71Å; S114-K128 WeakPolarHBondContact O-CE 3.32Å; S114-K128 PolarHBondContact O-NZ 2.96Å; K115-K128 HydrophobicContact CG-CB 4.37Å; K115-K128 PolarHBondContact O-NZ 2.88Å; N117-K128 PolarHBondContact OD1-NZ 2.85Å
129	S	96.7	Very high	95.8	Very high	58 Å²	58	44 Å²	44	41%	0.406	25%	0.249	S	C	.	.			trans	-76.5	155.4	166.7	-59.3	0	0	0	0	111.9	A96 I97 E98	A96-S129 CarbonylContact O-C 3.6Å; A96-S129 WeakPolarHBondContact O-CA 3.31Å; A96-S129 WeakPolarHBondContact O-CB 3.27Å; I97-S129 WeakPolarHBondContact CA-OG 3.38Å; E98-S129 PolarHBondContact N-OG 2.84Å
130	G	97.3	Very high	95.9	Very high	19 Å²	19	46 Å²	46	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-173.9	-179	0	0	0	0	0	114.6	T95 A96 F113	T95-G130 VanDerWaalsContact CA-O 3.25Å; T95-G130 WeakPolarHBondContact CA-O 3.36Å; T95-G130 WeakPolarHBondContact CB-O 3.46Å; T95-G130 PolarHBondContact OG1-O 2.92Å; A96-G130 PolarHBondContact N-O 2.8Å; A96-G130 VanDerWaalsContact N-O 3.12Å; A96-G130 PolarHBondContact O-N 2.88Å; F113-G130 VanDerWaalsContact CD2-CA 3.49Å; F113-G130 VanDerWaalsContact CE2-O 3.3Å; F113-G130 WeakPolarHBondContact CE2-O 3.48Å
131	I	97.9	Very high	95.9	Very high	122 Å²	122	48.8 Å²	48.8	63%	0.626	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	136.1	174.1	-174.2	170.5	0	0	0	109.2	F94 L204	F94-I131 CarbonylContact O-C 3.59Å; F94-I131 WeakPolarHBondContact O-CA 3.44Å; F94-I131 WeakPolarHBondContact O-CG1 3.3Å; I131-L204 WeakPolarHBondContact O-CD2 3.3Å
132	S	97.9	Very high	96	Very high	5 Å²	5	50.9 Å²	50.9	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.9	-176.9	-168.6	0	0	0	0	110.5	A93 F94 K199	A93-S132 CarbonylContact C-O 3.55Å; A93-S132 VanDerWaalsContact CA-O 3.28Å; A93-S132 WeakPolarHBondContact CA-O 3.13Å; F94-S132 PolarHBondContact N-O 2.84Å; F94-S132 PolarHBondContact O-N 2.85Å; S132-K199 PolarHBondContact OG-NZ 2.62Å
133	L	97.7	Very high	96.1	Very high	68 Å²	68	53.7 Å²	53.7	36%	0.356	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117.5	166.7	-169.3	71.8	0	0	0	107.9	I91 A92 A93 K135 A136 Y151 K199	I91-L133 HydrophobicContact CG2-CD1 3.99Å; A92-L133 WeakPolarHBondContact O-CD1 3.42Å; A93-L133 HydrophobicContact CB-CD1 4.27Å; L133-K135 WeakPolarHBondContact CD1-O 3.29Å; L133-K135 WeakPolarHBondContact CG-O 3.41Å; L133-A136 HydrophobicContact CD2-CB 3.52Å; L133-A136 HydrophobicContact CG-CB 4.11Å; L133-Y151 HydrophobicContact CD2-CD2 4.31Å; L133-K199 WeakPolarHBondContact O-CE 3.33Å; L133-K199 PolarHBondContact O-NZ 2.76Å
134	Y	97.3	Very high	96.2	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-18.2	178.9	75.3	-82.4	0	0	0	113.1	N75 D77 A92 F94 Q153 P168 T170	N75-Y134 HydrophobicContact CB-CE1 4.41Å; N75-Y134 PolarHBondContact ND2-OH 2.93Å; D77-Y134 WeakPolarHBondContact CB-OH 3.34Å; D77-Y134 PolarHBondContact OD2-OH 2.82Å; A92-Y134 VanDerWaalsContact C-CD1 3.47Å; A92-Y134 VanDerWaalsContact C-CE1 3.49Å; A92-Y134 HydrophobicContact CB-CD1 3.86Å; A92-Y134 HydrophobicContact CB-CD2 4.43Å; A92-Y134 HydrophobicContact CB-CE1 3.23Å; A92-Y134 HydrophobicContact CB-CE2 3.85Å; A92-Y134 HydrophobicContact CB-CG 4.44Å; A92-Y134 WeakPolarHBondContact CB-OH 3.45Å; A92-Y134 VanDerWaalsContact O-CD1 3.23Å; A92-Y134 WeakPolarHBondContact O-CD1 3.27Å; A92-Y134 PolarHBondContact O-N 2.76Å; F94-Y134 HydrophobicContact CB-CD1 4.49Å; F94-Y134 AromaticContact CD1-CD1 3.64Å; F94-Y134 HydrophobicContact CD1-CD1 3.64Å; F94-Y134 HydrophobicContact CD1-CE1 4.37Å; F94-Y134 HydrophobicContact CD1-CG 4.13Å; F94-Y134 HydrophobicContact CE1-CD1 4.44Å; Y134-Q153 PolarHBondContact O-NE2 3.35Å; Y134-P168 HydrophobicContact CD2-CG 3.77Å; Y134-P168 HydrophobicContact CE2-CG 4.05Å; Y134-T170 VanDerWaalsContact CA-OG1 3.23Å; Y134-T170 WeakPolarHBondContact CA-OG1 3.41Å; Y134-T170 WeakPolarHBondContact CB-OG1 3.07Å; Y134-T170 WeakPolarHBondContact O-CG2 3.23Å; Y134-T170 PolarHBondContact O-OG1 2.93Å
135	K	98.4	Very high	96.5	Very high	38 Å²	38	49.1 Å²	49.1	17%	0.165	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.7	167.5	-67.4	172.6	-175	166.5	0	110.5	D77 I91 A92 L133 Y151	D77-K135 IonicContact OD1-NZ 2.7Å; D77-K135 IonicContact OD2-NZ 2.92Å; D77-K135 PolarHBondContact OD2-NZ 2.89Å; I91-K135 WeakPolarHBondContact CA-O 3.23Å; A92-K135 HydrophobicContact CB-CB 3.76Å; A92-K135 HydrophobicContact CB-CD 3.95Å; A92-K135 HydrophobicContact CB-CG 4.16Å; A92-K135 PolarHBondContact N-O 3.44Å; A92-K135 PolarHBondContact O-N 3.12Å; L133-K135 WeakPolarHBondContact CD1-O 3.29Å; L133-K135 WeakPolarHBondContact CG-O 3.41Å; K135-Y151 WeakPolarHBondContact CA-O 3.34Å
136	A	98.6	Very high	96.9	Very high	34 Å²	34	48.4 Å²	48.4	28%	0.281	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	85.1	168.9	0	0	0	0	0	106.8	D90 L133 Y151	D90-A136 WeakPolarHBondContact O-CA 3.45Å; L133-A136 HydrophobicContact CD2-CB 3.52Å; L133-A136 HydrophobicContact CG-CB 4.11Å; A136-Y151 HydrophobicContact CB-CD2 4.33Å; A136-Y151 HydrophobicContact CB-CG 4.48Å; A136-Y151 PolarHBondContact N-O 2.65Å; A136-Y151 VanDerWaalsContact N-O 3.1Å; A136-Y151 PolarHBondContact O-N 2.88Å
137	A	98.7	Very high	97.2	Very high	4 Å²	4	49 Å²	49	3%	0.033	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.5	-167	0	0	0	0	0	112	L89 D90 A149 I152	L89-A137 CarbonylContact C-O 3.48Å; L89-A137 WeakPolarHBondContact CA-O 3.16Å; D90-A137 PolarHBondContact N-O 3.29Å; D90-A137 PolarHBondContact O-N 2.73Å; A137-A149 CarbonylContact C-O 3.39Å; A137-A149 VanDerWaalsContact CA-O 3.23Å; A137-A149 WeakPolarHBondContact CA-O 3.43Å; A137-I152 HydrophobicContact CB-CG2 3.46Å; A137-I152 VanDerWaalsContact CB-CG2 3.46Å
138	A	98.7	Very high	97.4	Very high	57 Å²	57	50.3 Å²	50.3	47%	0.471	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.5	160.9	0	0	0	0	0	108.6	G88 R148 A149	G88-A138 WeakPolarHBondContact O-CA 3.46Å; A138-R148 CarbonylContact O-C 3.53Å; A138-R148 WeakPolarHBondContact O-CA 3.38Å; A138-A149 PolarHBondContact N-O 2.79Å; A138-A149 PolarHBondContact O-N 2.78Å
139	K	98.1	Very high	97.6	Very high	17 Å²	17	50 Å²	50	7%	0.074	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.3	172.7	62.3	-176.3	177.2	-166.1	0	110.8	S80 Y82 F87 G88 D90 A147 R148	S80-K139 VanDerWaalsContact O-CE 3.23Å; S80-K139 WeakPolarHBondContact O-CE 3.23Å; S80-K139 PolarHBondContact O-NZ 3.34Å; Y82-K139 HydrophobicContact CE1-CD 4.24Å; Y82-K139 HydrophobicContact CE1-CG 3.98Å; F87-K139 CarbonylContact C-O 3.6Å; G88-K139 VanDerWaalsContact C-CG 3.44Å; G88-K139 PolarHBondContact N-O 2.89Å; G88-K139 PolarHBondContact O-N 2.81Å; D90-K139 WeakPolarHBondContact OD1-CD 3.16Å; D90-K139 VanDerWaalsContact OD1-CE 3.3Å; D90-K139 WeakPolarHBondContact OD1-CE 3.47Å; D90-K139 IonicContact OD1-NZ 3.5Å; D90-K139 PolarHBondContact OD1-NZ 2.89Å; K139-A147 CarbonylContact C-O 3.5Å; K139-A147 WeakPolarHBondContact CA-O 3.31Å; K139-R148 HydrophobicContact CB-CG 3.87Å
140	F	97.8	Very high	97.7	Very high	48 Å²	48	48.5 Å²	48.5	21%	0.211	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.8	-178	174	-95.9	0	0	0	110	M86 F87 W146 A147	M86-F140 HydrophobicContact CB-CD2 4.33Å; M86-F140 HydrophobicContact CB-CE2 4.05Å; M86-F140 HydrophobicContact CE-CE2 3.42Å; M86-F140 VanDerWaalsContact CE-CE2 3.42Å; M86-F140 HydrophobicContact CE-CZ 3.58Å; M86-F140 CarbonylContact O-C 3.57Å; M86-F140 WeakPolarHBondContact O-CA 3.42Å; F87-F140 AromaticContact CD1-CD2 3.82Å; F87-F140 HydrophobicContact CD1-CD2 3.82Å; F87-F140 AromaticContact CE1-CD2 3.54Å; F87-F140 HydrophobicContact CE1-CD2 3.54Å; F87-F140 AromaticContact CE1-CE2 3.9Å; F87-F140 HydrophobicContact CE1-CE2 3.9Å; F87-F140 HydrophobicContact CZ-CD2 4.06Å; F87-F140 AromaticContact CZ-CE2 3.95Å; F87-F140 HydrophobicContact CZ-CE2 3.95Å; F140-W146 CarbonylContact O-C 3.57Å; F140-W146 VanDerWaalsContact O-CA 3.23Å; F140-W146 WeakPolarHBondContact O-CA 3.44Å; F140-A147 HydrophobicContact CB-CB 4.29Å; F140-A147 HydrophobicContact CD1-CB 4.47Å; F140-A147 PolarHBondContact N-O 3.28Å; F140-A147 PolarHBondContact O-N 3.22Å
141	K	96.6	Very high	97.8	Very high	81 Å²	81	50.8 Å²	50.8	35%	0.352	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.7	166.9	71.1	-178.4	-179.2	-172.7	0	111.4	Y82 D85 M86 V145	Y82-K141 HydrophobicContact CD1-CD 3.87Å; Y82-K141 HydrophobicContact CD1-CG 3.73Å; Y82-K141 HydrophobicContact CD2-CD 3.92Å; Y82-K141 VanDerWaalsContact CD2-CE 3.42Å; Y82-K141 HydrophobicContact CE1-CB 4.02Å; Y82-K141 HydrophobicContact CE1-CD 3.7Å; Y82-K141 HydrophobicContact CE1-CG 3.59Å; Y82-K141 HydrophobicContact CE2-CD 3.75Å; Y82-K141 HydrophobicContact CG-CD 3.96Å; Y82-K141 HydrophobicContact CG-CG 4.25Å; D85-K141 WeakPolarHBondContact O-CE 3.02Å; D85-K141 WeakPolarHBondContact O-CG 3.16Å; M86-K141 WeakPolarHBondContact CA-O 3.27Å; M86-K141 PolarHBondContact O-N 2.78Å; K141-V145 CarbonylContact C-O 3.5Å; K141-V145 WeakPolarHBondContact CA-O 3.41Å
142	Y	95.5	Very high	97.8	Very high	154 Å²	154	45.1 Å²	45.1	60%	0.604	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.7	114.7	169.6	-178.5	-105.5	0	0	0	110.6	M86 V145	M86-Y142 HydrophobicContact CE-CD2 3.7Å; M86-Y142 HydrophobicContact CE-CE2 4.45Å; M86-Y142 HydrophobicContact CE-CG 4.08Å; M86-Y142 HydrophobicContact CG-CD2 4.47Å; M86-Y142 HydrophobicContact SD-CD2 4.29Å; Y142-V145 PolarHBondContact N-O 2.8Å; Y142-V145 PolarHBondContact O-N 3.41Å
143	G	95.2	Very high	97.8	Very high	73 Å²	73	45.7 Å²	45.7	75%	0.753	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-126.1	-172.9	0	0	0	0	0	111	V145	G143-V145 VanDerWaalsContact C-N 3.28Å; G143-V145 PolarHBondContact O-N 3.05Å
144	P	96.5	Very high	97.7	Very high	55 Å²	55	43.5 Å²	43.5	36%	0.357	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.4	178.7	32.5	-33.7	0	0	0	113.4	A178 N179 F180	P144-A178 HydrophobicContact CB-CB 4.42Å; P144-A178 CarbonylContact O-C 3.52Å; P144-A178 WeakPolarHBondContact O-CA 3.23Å; P144-A178 WeakPolarHBondContact O-CB 3.29Å; P144-N179 WeakPolarHBondContact CB-O 3.25Å; P144-N179 PolarHBondContact O-N 2.9Å; P144-F180 HydrophobicContact CB-CD1 3.93Å; P144-F180 HydrophobicContact CB-CE1 3.97Å; P144-F180 HydrophobicContact CG-CD1 3.94Å; P144-F180 HydrophobicContact CG-CE1 3.55Å; P144-F180 HydrophobicContact CG-CZ 4.45Å
145	V	97.8	Very high	97.6	Very high	63 Å²	63	47.1 Å²	47.1	38%	0.382	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	141.5	-170.9	-178.1	0	0	0	0	110.7	K141 Y142 G143 G177 A178	K141-V145 CarbonylContact C-O 3.5Å; K141-V145 WeakPolarHBondContact CA-O 3.41Å; Y142-V145 PolarHBondContact N-O 2.8Å; Y142-V145 PolarHBondContact O-N 3.41Å; G143-V145 VanDerWaalsContact C-N 3.28Å; G143-V145 PolarHBondContact O-N 3.05Å; V145-G177 WeakPolarHBondContact CA-O 3.41Å; V145-A178 HydrophobicContact CG2-CB 4.05Å
146	W	98.1	Very high	97.5	Very high	37 Å²	37	46.1 Å²	46.1	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.7	172.3	59.3	-90.2	0	0	0	110.7	F140 E175 A176 G177	F140-W146 CarbonylContact O-C 3.57Å; F140-W146 VanDerWaalsContact O-CA 3.23Å; F140-W146 WeakPolarHBondContact O-CA 3.44Å; W146-E175 VanDerWaalsContact CH2-CD 3.44Å; W146-E175 HydrophobicContact CH2-CG 3.59Å; W146-E175 HydrophobicContact CZ3-CB 4.26Å; W146-E175 HydrophobicContact CZ3-CG 3.69Å; W146-A176 CarbonylContact O-C 3.46Å; W146-A176 VanDerWaalsContact O-CA 3.31Å; W146-A176 WeakPolarHBondContact O-CA 3.28Å; W146-G177 PolarHBondContact N-O 3.45Å; W146-G177 PolarHBondContact O-N 2.94Å
147	A	98.6	Very high	97.3	Very high	30 Å²	30	45.6 Å²	45.6	25%	0.248	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.4	172.8	0	0	0	0	0	111.4	K139 F140 E175 A176	K139-A147 CarbonylContact C-O 3.5Å; K139-A147 WeakPolarHBondContact CA-O 3.31Å; F140-A147 HydrophobicContact CB-CB 4.29Å; F140-A147 HydrophobicContact CD1-CB 4.47Å; F140-A147 PolarHBondContact N-O 3.28Å; F140-A147 PolarHBondContact O-N 3.22Å; A147-E175 CarbonylContact C-O 3.4Å; A147-E175 VanDerWaalsContact CA-O 3.24Å; A147-E175 WeakPolarHBondContact CA-O 3.18Å; A147-A176 HydrophobicContact CB-CB 3.87Å
148	R	98.4	Very high	97.1	Very high	32 Å²	32	45.7 Å²	45.7	12%	0.121	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.4	175.6	-58.8	-178.3	-64	149.2	16.3	109.4	A138 K139 I152 Q153 T155 A174 E175	A138-R148 CarbonylContact O-C 3.53Å; A138-R148 WeakPolarHBondContact O-CA 3.38Å; K139-R148 HydrophobicContact CB-CG 3.87Å; R148-I152 HydrophobicContact CB-CG2 4.18Å; R148-Q153 PolarHBondContact NH1-O 3.12Å; R148-Q153 PolarHBondContact NH2-O 3.03Å; R148-T155 VanDerWaalsContact CZ-CG2 3.45Å; R148-T155 PolarHBondContact NH2-OG1 2.81Å; R148-A174 CarbonylContact O-C 3.57Å; R148-A174 VanDerWaalsContact O-CA 3.25Å; R148-A174 WeakPolarHBondContact O-CA 3.37Å; R148-E175 IonicContact CZ-OE2 3.93Å; R148-E175 PolarHBondContact N-O 3.14Å; R148-E175 IonicContact NH2-OE2 2.66Å; R148-E175 PolarHBondContact NH2-OE2 2.69Å; R148-E175 PolarHBondContact O-N 3.42Å
149	A	98.7	Very high	97	Very high	47 Å²	47	43.1 Å²	43.1	39%	0.388	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.2	179.5	0	0	0	0	0	111.9	A137 A138 G173 A174	A137-A149 CarbonylContact C-O 3.39Å; A137-A149 VanDerWaalsContact CA-O 3.23Å; A137-A149 WeakPolarHBondContact CA-O 3.43Å; A138-A149 PolarHBondContact N-O 2.79Å; A138-A149 PolarHBondContact O-N 2.78Å; A149-G173 WeakPolarHBondContact CA-O 3.48Å; A149-A174 HydrophobicContact CB-CB 3.93Å
150	G	98.7	Very high	96.9	Very high	27 Å²	27	42.5 Å²	42.5	28%	0.278	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	125.8	-137.3	-175.1	0	0	0	0	0	110.5	Q172 G173	G150-Q172 WeakPolarHBondContact O-CA 3.33Å; G150-G173 PolarHBondContact N-O 2.99Å; G150-G173 PolarHBondContact O-N 2.91Å
151	Y	98.7	Very high	96.9	Very high	68 Å²	68	41.3 Å²	41.3	27%	0.267	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.5	172.2	-70.2	1.1	0	0	0	109.1	L133 K135 A136 T170 Y171 Q172 M206	L133-Y151 HydrophobicContact CD2-CD2 4.31Å; K135-Y151 WeakPolarHBondContact CA-O 3.34Å; A136-Y151 HydrophobicContact CB-CD2 4.33Å; A136-Y151 HydrophobicContact CB-CG 4.48Å; A136-Y151 PolarHBondContact N-O 2.65Å; A136-Y151 VanDerWaalsContact N-O 3.1Å; A136-Y151 PolarHBondContact O-N 2.88Å; Y151-T170 HydrophobicContact CD2-CG2 4.32Å; Y151-T170 HydrophobicContact CG-CG2 3.92Å; Y151-Y171 WeakPolarHBondContact CA-O 3.4Å; Y151-Q172 HydrophobicContact CD1-CB 4.07Å; Y151-Q172 HydrophobicContact CD1-CG 4.36Å; Y151-Q172 HydrophobicContact CE1-CB 4.01Å; Y151-Q172 HydrophobicContact CE1-CG 4.13Å; Y151-M206 HydrophobicContact CE1-CG 4.29Å
152	I	98.4	Very high	96.9	Very high	3 Å²	3	38 Å²	38	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.2	-168.6	59.3	172	0	0	0	112.1	A137 R148 Y171 E175 M193	A137-I152 HydrophobicContact CB-CG2 3.46Å; A137-I152 VanDerWaalsContact CB-CG2 3.46Å; R148-I152 HydrophobicContact CB-CG2 4.18Å; I152-Y171 PolarHBondContact N-O 3.06Å; I152-Y171 PolarHBondContact O-N 2.8Å; I152-E175 HydrophobicContact CD1-CB 3.98Å; I152-M193 HydrophobicContact CD1-CE 3.91Å; I152-M193 HydrophobicContact CD1-SD 4.48Å; I152-M193 HydrophobicContact CG1-CE 4.12Å
153	Q	97.3	Very high	96.9	Very high	16 Å²	16	31.1 Å²	31.1	8%	0.075	21%	0.206	C	C	.	.			trans	-104.8	132.2	158.8	-69.4	69.8	43	0	0	108	Y134 R148 T155 P162 P168 G169	Y134-Q153 PolarHBondContact O-NE2 3.35Å; R148-Q153 PolarHBondContact NH1-O 3.12Å; R148-Q153 PolarHBondContact NH2-O 3.03Å; Q153-T155 PolarHBondContact O-N 3.26Å; Q153-P162 HydrophobicContact CG-CG 4.22Å; Q153-P168 HydrophobicContact CG-CB 3.7Å; Q153-P168 HydrophobicContact CG-CG 3.62Å; Q153-G169 PolarHBondContact NE2-O 2.65Å
154	P	96.6	Very high	96.8	Very high	22 Å²	22	35.6 Å²	35.6	14%	0.143	20%	0.201	C	C	.	.			trans	-50.9	135.4	173.4	-15.2	18.1	0	0	0	111.2	L160 Y171 M193	P154-L160 WeakPolarHBondContact CB-O 3.46Å; P154-L160 HydrophobicContact CG-CB 3.98Å; P154-L160 VanDerWaalsContact CG-O 3.28Å; P154-L160 WeakPolarHBondContact CG-O 3.45Å; P154-Y171 HydrophobicContact CG-CD2 4.06Å; P154-Y171 HydrophobicContact CG-CE2 4.12Å; P154-M193 HydrophobicContact CB-SD 3.64Å; P154-M193 HydrophobicContact CG-CE 3.85Å; P154-M193 HydrophobicContact CG-SD 3.53Å; P154-M193 VanDerWaalsContact CG-SD 3.53Å
155	T	95	Very high	96.6	Very high	84 Å²	84	33.8 Å²	33.8	52%	0.515	19%	0.189	S	C	.	.			trans	-126.4	-9.5	175.3	59.2	0	0	0	0	114	R148 Q153 E175	R148-T155 VanDerWaalsContact CZ-CG2 3.45Å; R148-T155 PolarHBondContact NH2-OG1 2.81Å; Q153-T155 PolarHBondContact O-N 3.26Å; T155-E175 PolarHBondContact N-OE1 2.96Å; T155-E175 PolarHBondContact N-OE2 2.91Å
156	G	94.8	Very high	96.4	Very high	16 Å²	16	32 Å²	32	17%	0.165	18%	0.177	C	C	.	.	S	Bend	trans	-85.7	-156.8	179.1	0	0	0	0	0	113.3	T158 E175 S191	G156-T158 VanDerWaalsContact C-N 3.27Å; G156-T158 PolarHBondContact O-N 2.89Å; G156-E175 VanDerWaalsContact CA-OE1 3.28Å; G156-E175 WeakPolarHBondContact CA-OE1 3.47Å; G156-E175 PolarHBondContact N-OE1 3.12Å; G156-S191 WeakPolarHBondContact CA-OG 3.17Å
157	Q	95.7	Very high	96.2	Very high	24 Å²	24	30.3 Å²	30.3	11%	0.112	17%	0.17	C	C	.	.	S	Bend	trans	-93.6	39.2	-178.2	-74.4	54.2	71.2	0	0	110.9	S189 S191 G225 K227	Q157-S189 VanDerWaalsContact OE1-CB 3.26Å; Q157-S191 PolarHBondContact N-OG 3.27Å; Q157-G225 CarbonylContact O-C 3.56Å; Q157-G225 WeakPolarHBondContact O-CA 3.36Å; Q157-K227 HydrophobicContact CG-CB 3.53Å
158	T	93.6	Very high	96.1	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.031	16%	0.162	C	C	.	.			trans	-89.9	161.8	-178.2	63.9	0	0	0	0	112.4	G156 L160 S191 M193	G156-T158 VanDerWaalsContact C-N 3.27Å; G156-T158 PolarHBondContact O-N 2.89Å; T158-L160 VanDerWaalsContact C-N 3.34Å; T158-L160 PolarHBondContact OG1-O 2.86Å; T158-S191 WeakPolarHBondContact CG2-OG 3.24Å; T158-M193 HydrophobicContact CG2-CB 3.73Å
159	L	96.1	Very high	96.1	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	-76.2	-20.7	167.2	-95.3	162.1	0	0	0	112.9	S223 A239 Q249 F251 M328 G337 R338	L159-S223 WeakPolarHBondContact CB-OG 3.45Å; L159-S223 PolarHBondContact N-OG 3.02Å; L159-A239 HydrophobicContact CD1-CB 4.28Å; L159-A239 HydrophobicContact CG-CB 3.95Å; L159-Q249 HydrophobicContact CD1-CB 3.77Å; L159-Q249 WeakPolarHBondContact CD1-O 3.27Å; L159-F251 HydrophobicContact CD1-CB 4.33Å; L159-F251 HydrophobicContact CD2-CB 3.62Å; L159-F251 HydrophobicContact CG-CB 3.97Å; L159-M328 HydrophobicContact CB-CE 3.95Å; L159-G337 CarbonylContact O-C 3.44Å; L159-G337 WeakPolarHBondContact O-CA 3.5Å; L159-R338 PolarHBondContact O-N 2.78Å
160	L	97.3	Very high	96.1	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.3	175.7	-63.2	171.4	0	0	0	109.5	P154 T158 Y171 M193 T195 L221 M328	P154-L160 WeakPolarHBondContact CB-O 3.46Å; P154-L160 HydrophobicContact CG-CB 3.98Å; P154-L160 VanDerWaalsContact CG-O 3.28Å; P154-L160 WeakPolarHBondContact CG-O 3.45Å; T158-L160 VanDerWaalsContact C-N 3.34Å; T158-L160 PolarHBondContact OG1-O 2.86Å; L160-Y171 HydrophobicContact CD2-CE1 4.46Å; L160-M193 HydrophobicContact CB-SD 4.27Å; L160-M193 HydrophobicContact CD1-CB 4.21Å; L160-M193 HydrophobicContact CD1-CE 4.2Å; L160-M193 HydrophobicContact CD1-CG 3.85Å; L160-M193 HydrophobicContact CD1-SD 3.93Å; L160-T195 HydrophobicContact CD1-CG2 3.77Å; L160-L221 HydrophobicContact CD2-CB 4.16Å; L160-L221 HydrophobicContact CD2-CD1 4.06Å; L160-M328 HydrophobicContact CD2-CE 3.87Å; L160-M328 HydrophobicContact CD2-SD 3.96Å; L160-M328 HydrophobicContact CG-CE 4.28Å
161	A	96.5	Very high	96.1	Very high	23 Å²	23	24.5 Å²	24.5	19%	0.19	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.5	170	0	0	0	0	0	108.3	Y171 N336	A161-Y171 WeakPolarHBondContact O-CE2 3.39Å; A161-Y171 PolarHBondContact O-OH 2.81Å; A161-N336 PolarHBondContact N-O 2.86Å; A161-N336 CarbonylContact O-C 3.57Å; A161-N336 WeakPolarHBondContact O-CA 3.49Å; A161-N336 VanDerWaalsContact O-CB 3.24Å; A161-N336 WeakPolarHBondContact O-CB 3.27Å
162	P	96.7	Very high	96.1	Very high	10 Å²	10	23.8 Å²	23.8	7%	0.065	12%	0.124	C	C	.	.			trans	-84.8	155	173	33.4	-31.8	0	0	0	111.3	Q153 W164 P168 Y198 N336	Q153-P162 HydrophobicContact CG-CG 4.22Å; P162-W164 VanDerWaalsContact O-CD1 3.32Å; P162-P168 HydrophobicContact CB-CB 4.1Å; P162-P168 HydrophobicContact CG-CB 3.84Å; P162-Y198 HydrophobicContact CB-CE2 4.47Å; P162-N336 PolarHBondContact O-ND2 2.76Å
163	H	95.7	Very high	96.1	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.046	13%	0.128	C	C	.	.			trans	-61.5	157.5	154.2	-59.7	98.5	0	0	0	110.1	P168 G169 Y198 P201 W202 S335	H163-P168 WeakPolarHBondContact O-CA 3.28Å; H163-G169 PolarHBondContact O-N 3.03Å; H163-Y198 WeakPolarHBondContact CB-OH 3.1Å; H163-Y198 PolarHBondContact N-OH 2.87Å; H163-Y198 AromaticContact ND1-CE1 3.38Å; H163-Y198 WeakPolarHBondContact ND1-CE1 3.41Å; H163-Y198 AromaticContact ND1-CZ 3.54Å; H163-Y198 PolarHBondContact ND1-OH 3.49Å; H163-P201 HydrophobicContact CB-CG 4.38Å; H163-P201 WeakPolarHBondContact O-CG 3.25Å; H163-W202 HydrophobicContact CB-CH2 3.85Å; H163-W202 HydrophobicContact CB-CZ3 4.14Å; H163-S335 VanDerWaalsContact CE1-C 3.45Å; H163-S335 PolarHBondContact CE1-O 2.93Å
164	W	94	Very high	96.2	Very high	167 Å²	167	25.1 Å²	25.1	63%	0.633	14%	0.139	S	C	*	.	B	Isolated β-bridge	trans	-129.4	133.6	-179.3	-75.4	86.5	0	0	0	111.2	P162 P168	P162-W164 VanDerWaalsContact O-CD1 3.32Å; W164-P168 HydrophobicContact CD2-CB 4.14Å; W164-P168 HydrophobicContact CE3-CB 4.12Å; W164-P168 HydrophobicContact CH2-CB 3.93Å; W164-P168 HydrophobicContact CH2-CG 4.17Å; W164-P168 HydrophobicContact CZ2-CB 3.94Å; W164-P168 HydrophobicContact CZ3-CB 4.03Å; W164-P168 HydrophobicContact CZ3-CG 4.24Å
165	S	91.8	Very high	96.3	Very high	17 Å²	17	24.1 Å²	24.1	12%	0.119	13%	0.132	C	C	.	.	S	Bend	trans	-98.7	-125.8	151.9	69.2	0	0	0	0	107.2	E110 M167 P201	E110-S165 WeakPolarHBondContact O-CB 3.37Å; S165-M167 VanDerWaalsContact C-N 3.29Å; S165-M167 PolarHBondContact N-O 2.78Å; S165-M167 PolarHBondContact OG-N 2.92Å; S165-M167 VanDerWaalsContact OG-N 3.12Å; S165-M167 PolarHBondContact OG-O 2.83Å; S165-P201 WeakPolarHBondContact OG-CB 3.21Å
166	F	92.9	Very high	96.5	Very high	26 Å²	26	22.1 Å²	22.1	11%	0.114	13%	0.125	C	C	.	.	S	Bend	trans	-74.5	-23.6	153.4	-70.9	-59.1	0	0	0	112.7	Y46 W48 N73 I111 M460 I462	Y46-F166 VanDerWaalsContact CB-CE2 3.42Å; Y46-F166 HydrophobicContact CD1-CB 3.93Å; Y46-F166 AromaticContact CD1-CD1 3.6Å; Y46-F166 HydrophobicContact CD1-CD1 3.6Å; Y46-F166 HydrophobicContact CD1-CD2 4.26Å; Y46-F166 HydrophobicContact CD1-CE1 4.1Å; Y46-F166 AromaticContact CD1-CG 3.69Å; Y46-F166 HydrophobicContact CD1-CG 3.69Å; Y46-F166 HydrophobicContact CD2-CB 4.33Å; Y46-F166 HydrophobicContact CE1-CB 4.31Å; Y46-F166 HydrophobicContact CE1-CD1 4.33Å; Y46-F166 HydrophobicContact CE1-CG 4.47Å; Y46-F166 HydrophobicContact CG-CB 3.95Å; Y46-F166 HydrophobicContact CG-CD1 4.11Å; Y46-F166 AromaticContact CG-CD2 3.92Å; Y46-F166 HydrophobicContact CG-CD2 3.92Å; Y46-F166 HydrophobicContact CG-CE2 4.36Å; Y46-F166 AromaticContact CG-CG 3.76Å; Y46-F166 HydrophobicContact CG-CG 3.76Å; W48-F166 HydrophobicContact CB-CE2 3.67Å; W48-F166 HydrophobicContact CB-CZ 3.94Å; W48-F166 HydrophobicContact CD2-CE2 4.4Å; W48-F166 HydrophobicContact CD2-CZ 4.2Å; W48-F166 HydrophobicContact CE3-CD1 4.42Å; W48-F166 HydrophobicContact CE3-CD2 4.24Å; W48-F166 AromaticContact CE3-CE1 3.88Å; W48-F166 HydrophobicContact CE3-CE1 3.88Å; W48-F166 AromaticContact CE3-CE2 3.72Å; W48-F166 HydrophobicContact CE3-CE2 3.72Å; W48-F166 AromaticContact CE3-CZ 3.51Å; W48-F166 HydrophobicContact CE3-CZ 3.51Å; W48-F166 HydrophobicContact CG-CE2 4.44Å; W48-F166 HydrophobicContact CG-CZ 4.42Å; W48-F166 HydrophobicContact CZ3-CE1 4.34Å; W48-F166 HydrophobicContact CZ3-CZ 4.4Å; N73-F166 HydrophobicContact CB-CD2 4.28Å; N73-F166 WeakPolarHBondContact OD1-CD2 3.4Å; I111-F166 HydrophobicContact CG2-CD2 4.27Å; I111-F166 HydrophobicContact CG2-CE2 4.37Å; F166-M460 HydrophobicContact CZ-CB 4.36Å; F166-M460 HydrophobicContact CZ-CG 4.21Å; F166-I462 HydrophobicContact CD1-CG1 4.46Å; F166-I462 HydrophobicContact CE1-CD1 4.1Å; F166-I462 HydrophobicContact CE1-CG1 3.86Å
167	M	95.6	Very high	96.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	-116.1	153.1	179.6	-69.3	67	48.6	0	0	109.5	Y46 N73 N75 F94 S165 P201	Y46-M167 HydrophobicContact CD2-SD 4.17Å; Y46-M167 HydrophobicContact CE2-SD 4.04Å; N73-M167 HydrophobicContact CB-CE 3.37Å; N73-M167 HydrophobicContact CB-SD 4.04Å; N73-M167 VanDerWaalsContact CG-CE 3.43Å; N73-M167 VanDerWaalsContact ND2-CE 3.28Å; N73-M167 WeakPolarHBondContact ND2-CE 3.34Å; N75-M167 HydrophobicContact CB-CG 4.27Å; F94-M167 HydrophobicContact CB-CB 4.43Å; F94-M167 HydrophobicContact CB-CE 4.39Å; F94-M167 HydrophobicContact CB-CG 3.62Å; F94-M167 HydrophobicContact CB-SD 4.26Å; F94-M167 HydrophobicContact CD1-CB 3.74Å; F94-M167 HydrophobicContact CD1-CG 3.88Å; F94-M167 HydrophobicContact CD2-CB 4.16Å; F94-M167 HydrophobicContact CD2-CE 3.41Å; F94-M167 VanDerWaalsContact CD2-CE 3.41Å; F94-M167 HydrophobicContact CD2-CG 3.99Å; F94-M167 HydrophobicContact CD2-SD 4.32Å; F94-M167 HydrophobicContact CE1-CB 3.93Å; F94-M167 HydrophobicContact CE2-CB 4.3Å; F94-M167 HydrophobicContact CE2-CE 3.79Å; F94-M167 HydrophobicContact CG-CB 3.86Å; F94-M167 HydrophobicContact CG-CE 4.01Å; F94-M167 HydrophobicContact CG-CG 3.56Å; F94-M167 HydrophobicContact CG-SD 4.36Å; F94-M167 HydrophobicContact CZ-CB 4.19Å; S165-M167 VanDerWaalsContact C-N 3.29Å; S165-M167 PolarHBondContact N-O 2.78Å; S165-M167 PolarHBondContact OG-N 2.92Å; S165-M167 VanDerWaalsContact OG-N 3.12Å; S165-M167 PolarHBondContact OG-O 2.83Å; M167-P201 WeakPolarHBondContact O-CB 3.3Å; M167-P201 VanDerWaalsContact O-CG 3.24Å; M167-P201 WeakPolarHBondContact O-CG 3.25Å
168	P	96.2	Very high	96.8	Very high	11 Å²	11	20.4 Å²	20.4	7%	0.071	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-81.3	155.1	-178.6	33	-35.3	0	0	0	111.7	Y134 Q153 P162 H163 W164	Y134-P168 HydrophobicContact CD2-CG 3.77Å; Y134-P168 HydrophobicContact CE2-CG 4.05Å; Q153-P168 HydrophobicContact CG-CB 3.7Å; Q153-P168 HydrophobicContact CG-CG 3.62Å; P162-P168 HydrophobicContact CB-CB 4.1Å; P162-P168 HydrophobicContact CG-CB 3.84Å; H163-P168 WeakPolarHBondContact O-CA 3.28Å; W164-P168 HydrophobicContact CD2-CB 4.14Å; W164-P168 HydrophobicContact CE3-CB 4.12Å; W164-P168 HydrophobicContact CH2-CB 3.93Å; W164-P168 HydrophobicContact CH2-CG 4.17Å; W164-P168 HydrophobicContact CZ2-CB 3.94Å; W164-P168 HydrophobicContact CZ3-CB 4.03Å; W164-P168 HydrophobicContact CZ3-CG 4.24Å
169	G	97.9	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.			trans	-65.6	173.7	163.1	0	0	0	0	0	111.7	Q153 H163 K199	Q153-G169 PolarHBondContact NE2-O 2.65Å; H163-G169 PolarHBondContact O-N 3.03Å; G169-K199 CarbonylContact C-O 3.53Å; G169-K199 VanDerWaalsContact CA-O 3.23Å; G169-K199 WeakPolarHBondContact CA-O 3.34Å
170	T	98.6	Very high	97	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.4	-169	-55	0	0	0	0	110.5	Y134 Y151 Y198 K199 M206	Y134-T170 VanDerWaalsContact CA-OG1 3.23Å; Y134-T170 WeakPolarHBondContact CA-OG1 3.41Å; Y134-T170 WeakPolarHBondContact CB-OG1 3.07Å; Y134-T170 WeakPolarHBondContact O-CG2 3.23Å; Y134-T170 PolarHBondContact O-OG1 2.93Å; Y151-T170 HydrophobicContact CD2-CG2 4.32Å; Y151-T170 HydrophobicContact CG-CG2 3.92Å; T170-Y198 CarbonylContact O-C 3.6Å; T170-Y198 WeakPolarHBondContact O-CA 3.36Å; T170-Y198 WeakPolarHBondContact O-CD2 3.35Å; T170-K199 PolarHBondContact N-O 3.35Å; T170-K199 PolarHBondContact O-N 3.05Å; T170-M206 HydrophobicContact CG2-SD 4.23Å; T170-M206 WeakPolarHBondContact O-CE 3.43Å
171	Y	98.7	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.9	167	-72.9	-80.5	0	0	0	109.7	Y151 I152 P154 L160 A161 M193 T195 Y198 F209 N336	Y151-Y171 WeakPolarHBondContact CA-O 3.4Å; I152-Y171 PolarHBondContact N-O 3.06Å; I152-Y171 PolarHBondContact O-N 2.8Å; P154-Y171 HydrophobicContact CG-CD2 4.06Å; P154-Y171 HydrophobicContact CG-CE2 4.12Å; L160-Y171 HydrophobicContact CD2-CE1 4.46Å; A161-Y171 WeakPolarHBondContact O-CE2 3.39Å; A161-Y171 PolarHBondContact O-OH 2.81Å; Y171-M193 HydrophobicContact CD1-CE 4.46Å; Y171-M193 HydrophobicContact CD2-CE 3.97Å; Y171-M193 HydrophobicContact CG-CE 3.75Å; Y171-T195 HydrophobicContact CD1-CG2 3.63Å; Y171-T195 WeakPolarHBondContact CD1-OG1 3.49Å; Y171-T195 HydrophobicContact CE1-CG2 4.08Å; Y171-T195 HydrophobicContact CG-CG2 4.46Å; Y171-Y198 AromaticContact CD1-CD2 3.44Å; Y171-Y198 HydrophobicContact CD1-CD2 3.44Å; Y171-Y198 VanDerWaalsContact CD1-CD2 3.44Å; Y171-Y198 HydrophobicContact CD1-CE2 4.32Å; Y171-Y198 HydrophobicContact CD1-CG 4.12Å; Y171-Y198 AromaticContact CD2-CD2 3.75Å; Y171-Y198 HydrophobicContact CD2-CD2 3.75Å; Y171-Y198 AromaticContact CD2-CE2 3.87Å; Y171-Y198 HydrophobicContact CD2-CE2 3.87Å; Y171-Y198 AromaticContact CE1-CD2 3.34Å; Y171-Y198 HydrophobicContact CE1-CD2 3.34Å; Y171-Y198 HydrophobicContact CE1-CE2 4.04Å; Y171-Y198 AromaticContact CE1-CG 3.89Å; Y171-Y198 HydrophobicContact CE1-CG 3.89Å; Y171-Y198 AromaticContact CE2-CD2 3.67Å; Y171-Y198 HydrophobicContact CE2-CD2 3.67Å; Y171-Y198 AromaticContact CE2-CE2 3.56Å; Y171-Y198 HydrophobicContact CE2-CE2 3.56Å; Y171-Y198 AromaticContact CG-CD2 3.66Å; Y171-Y198 HydrophobicContact CG-CD2 3.66Å; Y171-Y198 HydrophobicContact CG-CE2 4.26Å; Y171-Y198 AromaticContact CZ-CD2 3.46Å; Y171-Y198 VanDerWaalsContact CZ-CD2 3.46Å; Y171-Y198 AromaticContact CZ-CE2 3.65Å; Y171-F209 HydrophobicContact CD1-CZ 4.22Å; Y171-F209 HydrophobicContact CE1-CZ 4.12Å; Y171-N336 PolarHBondContact OH-N 3.36Å; Y171-N336 PolarHBondContact OH-O 3.21Å
172	Q	98.7	Very high	97.1	Very high	54 Å²	54	37.1 Å²	37.1	25%	0.252	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.1	159.6	175.1	175.7	-39.7	0	0	108.2	G150 Y151 T195 N196 E197 M206	G150-Q172 WeakPolarHBondContact O-CA 3.33Å; Y151-Q172 HydrophobicContact CD1-CB 4.07Å; Y151-Q172 HydrophobicContact CD1-CG 4.36Å; Y151-Q172 HydrophobicContact CE1-CB 4.01Å; Y151-Q172 HydrophobicContact CE1-CG 4.13Å; Q172-T195 VanDerWaalsContact O-CA 3.29Å; Q172-T195 WeakPolarHBondContact O-CA 3.48Å; Q172-T195 WeakPolarHBondContact O-CB 3.37Å; Q172-T195 PolarHBondContact O-OG1 3.25Å; Q172-N196 PolarHBondContact O-N 3.15Å; Q172-N196 PolarHBondContact O-OD1 2.81Å; Q172-E197 HydrophobicContact CB-CB 4.12Å; Q172-E197 PolarHBondContact N-O 3.21Å; Q172-E197 PolarHBondContact OE1-OE2 2.89Å; Q172-M206 HydrophobicContact CB-CE 3.74Å
173	G	98.5	Very high	97.1	Very high	9 Å²	9	38.3 Å²	38.3	9%	0.093	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-160.6	-176.7	0	0	0	0	0	113.9	A149 G150 W194	A149-G173 WeakPolarHBondContact CA-O 3.48Å; G150-G173 PolarHBondContact N-O 2.99Å; G150-G173 PolarHBondContact O-N 2.91Å; G173-W194 CarbonylContact C-O 3.55Å; G173-W194 VanDerWaalsContact CA-O 3.23Å; G173-W194 WeakPolarHBondContact CA-O 3.48Å
174	A	98.8	Very high	97.2	Very high	37 Å²	37	45.4 Å²	45.4	31%	0.306	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141	176.2	0	0	0	0	0	110.4	R148 A149 M193 W194	R148-A174 CarbonylContact O-C 3.57Å; R148-A174 VanDerWaalsContact O-CA 3.25Å; R148-A174 WeakPolarHBondContact O-CA 3.37Å; A149-A174 HydrophobicContact CB-CB 3.93Å; A174-M193 WeakPolarHBondContact O-CA 3.02Å; A174-W194 PolarHBondContact N-O 2.78Å; A174-W194 PolarHBondContact O-N 2.98Å
175	E	98.7	Very high	97.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.6	174.1	-175.2	-178	-154.5	0	0	108.9	W146 A147 R148 I152 T155 G156 Y192 M193	W146-E175 VanDerWaalsContact CH2-CD 3.44Å; W146-E175 HydrophobicContact CH2-CG 3.59Å; W146-E175 HydrophobicContact CZ3-CB 4.26Å; W146-E175 HydrophobicContact CZ3-CG 3.69Å; A147-E175 CarbonylContact C-O 3.4Å; A147-E175 VanDerWaalsContact CA-O 3.24Å; A147-E175 WeakPolarHBondContact CA-O 3.18Å; R148-E175 IonicContact CZ-OE2 3.93Å; R148-E175 PolarHBondContact N-O 3.14Å; R148-E175 IonicContact NH2-OE2 2.66Å; R148-E175 PolarHBondContact NH2-OE2 2.69Å; R148-E175 PolarHBondContact O-N 3.42Å; I152-E175 HydrophobicContact CD1-CB 3.98Å; T155-E175 PolarHBondContact N-OE1 2.96Å; T155-E175 PolarHBondContact N-OE2 2.91Å; G156-E175 VanDerWaalsContact CA-OE1 3.28Å; G156-E175 WeakPolarHBondContact CA-OE1 3.47Å; G156-E175 PolarHBondContact N-OE1 3.12Å; E175-Y192 CarbonylContact C-O 3.54Å; E175-Y192 WeakPolarHBondContact CA-O 3.25Å; E175-M193 HydrophobicContact CB-CB 4.08Å; E175-M193 HydrophobicContact CB-CG 4.05Å; E175-M193 HydrophobicContact CB-SD 4.32Å; E175-M193 HydrophobicContact CG-CB 3.96Å; E175-M193 HydrophobicContact CG-CG 4.41Å
176	A	98.7	Very high	97.6	Very high	43 Å²	43	39.8 Å²	39.8	36%	0.355	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148	173.9	0	0	0	0	0	110.1	W146 A147 S191 Y192	W146-A176 CarbonylContact O-C 3.46Å; W146-A176 VanDerWaalsContact O-CA 3.31Å; W146-A176 WeakPolarHBondContact O-CA 3.28Å; A147-A176 HydrophobicContact CB-CB 3.87Å; A176-S191 CarbonylContact O-C 3.57Å; A176-S191 VanDerWaalsContact O-CA 3.23Å; A176-S191 WeakPolarHBondContact O-CA 3.36Å; A176-Y192 PolarHBondContact N-O 2.83Å; A176-Y192 PolarHBondContact O-N 2.89Å
177	G	98.5	Very high	97.9	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	178.3	179.3	0	0	0	0	0	112.5	V145 W146 F190	V145-G177 WeakPolarHBondContact CA-O 3.41Å; W146-G177 PolarHBondContact N-O 3.45Å; W146-G177 PolarHBondContact O-N 2.94Å; G177-F190 CarbonylContact C-O 3.57Å; G177-F190 WeakPolarHBondContact CA-O 3.43Å
178	A	98.2	Very high	98	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154	168.7	0	0	0	0	0	112	P144 V145 F180 S189 F190	P144-A178 HydrophobicContact CB-CB 4.42Å; P144-A178 CarbonylContact O-C 3.52Å; P144-A178 WeakPolarHBondContact O-CA 3.23Å; P144-A178 WeakPolarHBondContact O-CB 3.29Å; V145-A178 HydrophobicContact CG2-CB 4.05Å; A178-F180 HydrophobicContact CB-CE2 4.22Å; A178-F180 HydrophobicContact CB-CZ 4.18Å; A178-S189 WeakPolarHBondContact O-CA 3.16Å; A178-F190 HydrophobicContact CB-CD1 4.29Å; A178-F190 HydrophobicContact CB-CE1 3.47Å; A178-F190 VanDerWaalsContact CB-CE1 3.47Å; A178-F190 HydrophobicContact CB-CZ 3.74Å; A178-F190 PolarHBondContact N-O 3.1Å; A178-F190 PolarHBondContact O-N 3.05Å
179	N	97.8	Very high	98.2	Very high	79 Å²	79	41.9 Å²	41.9	42%	0.422	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111.7	175.6	-64.5	-48.8	0	0	0	109.3	P144 L188 S189	P144-N179 WeakPolarHBondContact CB-O 3.25Å; P144-N179 PolarHBondContact O-N 2.9Å; N179-L188 WeakPolarHBondContact CA-O 3.23Å; N179-S189 WeakPolarHBondContact OD1-CB 2.96Å; N179-S189 PolarHBondContact OD1-OG 2.89Å
180	F	98	Very high	98.1	Very high	76 Å²	76	45.5 Å²	45.5	33%	0.333	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.8	174.7	-57.9	-71.2	0	0	0	109.9	P144 A178 Y182 A187 L188 F190	P144-F180 HydrophobicContact CB-CD1 3.93Å; P144-F180 HydrophobicContact CB-CE1 3.97Å; P144-F180 HydrophobicContact CG-CD1 3.94Å; P144-F180 HydrophobicContact CG-CE1 3.55Å; P144-F180 HydrophobicContact CG-CZ 4.45Å; A178-F180 HydrophobicContact CB-CE2 4.22Å; A178-F180 HydrophobicContact CB-CZ 4.18Å; F180-Y182 HydrophobicContact CB-CE1 4.2Å; F180-Y182 HydrophobicContact CB-CE2 3.87Å; F180-Y182 WeakPolarHBondContact CB-OH 3.49Å; F180-A187 CarbonylContact O-C 3.56Å; F180-A187 VanDerWaalsContact O-CA 3.29Å; F180-A187 WeakPolarHBondContact O-CA 3.39Å; F180-L188 HydrophobicContact CD2-CD2 4.49Å; F180-L188 PolarHBondContact N-O 2.84Å; F180-L188 PolarHBondContact O-N 2.86Å; F180-F190 HydrophobicContact CD2-CE1 4.34Å; F180-F190 HydrophobicContact CE2-CD1 4.28Å; F180-F190 AromaticContact CE2-CE1 3.6Å; F180-F190 HydrophobicContact CE2-CE1 3.6Å; F180-F190 HydrophobicContact CZ-CE1 4.35Å
181	D	97.7	Very high	98.1	Very high	109 Å²	109	45.4 Å²	45.4	58%	0.583	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.3	173.5	-169.4	-33.5	0	0	0	109.8	G183 K231	D181-G183 WeakPolarHBondContact OD1-CA 3.36Å; D181-G183 PolarHBondContact OD1-N 2.86Å; D181-K231 IonicContact OD1-NZ 3.36Å; D181-K231 PolarHBondContact OD1-NZ 3.1Å; D181-K231 IonicContact OD2-NZ 2.91Å; D181-K231 PolarHBondContact OD2-NZ 2.92Å
182	Y	97.6	Very high	98.1	Very high	122 Å²	122	50 Å²	50	48%	0.478	28%	0.279	S	S	.	.			trans	-104.8	25.9	-179.7	-54.6	-71.9	0	0	0	112.8	F180 D184 A185 G186 L188	F180-Y182 HydrophobicContact CB-CE1 4.2Å; F180-Y182 HydrophobicContact CB-CE2 3.87Å; F180-Y182 WeakPolarHBondContact CB-OH 3.49Å; Y182-D184 PolarHBondContact O-N 3.05Å; Y182-A185 PolarHBondContact O-N 2.77Å; Y182-G186 WeakPolarHBondContact CB-O 3.34Å; Y182-G186 PolarHBondContact N-O 2.73Å; Y182-L188 HydrophobicContact CE2-CB 4Å
183	G	96.8	Very high	98.1	Very high	35 Å²	35	47.4 Å²	47.4	36%	0.361	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	64.5	-133.4	-175	0	0	0	0	0	110.3	D181 A185 G186 K231	D181-G183 WeakPolarHBondContact OD1-CA 3.36Å; D181-G183 PolarHBondContact OD1-N 2.86Å; G183-A185 PolarHBondContact O-N 2.79Å; G183-G186 PolarHBondContact O-N 2.8Å; G183-K231 WeakPolarHBondContact O-CD 3.47Å; G183-K231 WeakPolarHBondContact O-CE 3.26Å; G183-K231 PolarHBondContact O-NZ 2.94Å
184	D	97.1	Very high	98.1	Very high	160 Å²	160	50.1 Å²	50.1	86%	0.856	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.2	-177.8	-61.2	-28.2	0	0	0	113.9	Y182 G186	Y182-D184 PolarHBondContact O-N 3.05Å; D184-G186 PolarHBondContact O-N 2.91Å
185	A	96.6	Very high	98.1	Very high	65 Å²	65	48.4 Å²	48.4	54%	0.537	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-71.1	-17.8	178.4	0	0	0	0	0	113	Y182 G183 Y228	Y182-A185 PolarHBondContact O-N 2.77Å; G183-A185 PolarHBondContact O-N 2.79Å; A185-Y228 PolarHBondContact O-OH 2.88Å
186	G	98.3	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.			trans	124.3	-174.7	178.6	0	0	0	0	0	113.6	Y182 G183 D184 D229	Y182-G186 WeakPolarHBondContact CB-O 3.34Å; Y182-G186 PolarHBondContact N-O 2.73Å; G183-G186 PolarHBondContact O-N 2.8Å; D184-G186 PolarHBondContact O-N 2.91Å; G186-D229 CarbonylContact C-O 3.58Å; G186-D229 WeakPolarHBondContact CA-O 3.24Å
187	A	98.6	Very high	98.1	Very high	20 Å²	20	50.2 Å²	50.2	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.1	176.6	0	0	0	0	0	110.9	F180 Y228 D229	F180-A187 CarbonylContact O-C 3.56Å; F180-A187 VanDerWaalsContact O-CA 3.29Å; F180-A187 WeakPolarHBondContact O-CA 3.39Å; A187-Y228 WeakPolarHBondContact O-CA 3.23Å; A187-D229 PolarHBondContact N-O 2.84Å; A187-D229 PolarHBondContact O-N 2.85Å
188	L	98.6	Very high	98.1	Very high	50 Å²	50	50.2 Å²	50.2	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.3	175.4	176.1	62.9	0	0	0	109.8	N179 F180 Y182 A226 Y228	N179-L188 WeakPolarHBondContact CA-O 3.23Å; F180-L188 HydrophobicContact CD2-CD2 4.49Å; F180-L188 PolarHBondContact N-O 2.84Å; F180-L188 PolarHBondContact O-N 2.86Å; Y182-L188 HydrophobicContact CE2-CB 4Å; L188-A226 HydrophobicContact CD1-CB 4.41Å; L188-Y228 HydrophobicContact CB-CD2 3.89Å; L188-Y228 HydrophobicContact CB-CE2 4.15Å; L188-Y228 HydrophobicContact CD1-CD2 4.14Å
189	S	98.6	Very high	98.1	Very high	14 Å²	14	50.7 Å²	50.7	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.2	168.5	-60.5	0	0	0	0	109.3	Q157 A178 N179 A226 K227	Q157-S189 VanDerWaalsContact OE1-CB 3.26Å; A178-S189 WeakPolarHBondContact O-CA 3.16Å; N179-S189 WeakPolarHBondContact OD1-CB 2.96Å; N179-S189 PolarHBondContact OD1-OG 2.89Å; S189-A226 CarbonylContact O-C 3.58Å; S189-A226 WeakPolarHBondContact O-CA 3.45Å; S189-K227 PolarHBondContact N-O 3.16Å; S189-K227 PolarHBondContact O-N 2.98Å
190	F	97.4	Very high	98.1	Very high	75 Å²	75	46.9 Å²	46.9	33%	0.329	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.6	168.3	75.4	-86.1	0	0	0	110.7	G177 A178 F180 G225 A226	G177-F190 CarbonylContact C-O 3.57Å; G177-F190 WeakPolarHBondContact CA-O 3.43Å; A178-F190 HydrophobicContact CB-CD1 4.29Å; A178-F190 HydrophobicContact CB-CE1 3.47Å; A178-F190 VanDerWaalsContact CB-CE1 3.47Å; A178-F190 HydrophobicContact CB-CZ 3.74Å; A178-F190 PolarHBondContact N-O 3.1Å; A178-F190 PolarHBondContact O-N 3.05Å; F180-F190 HydrophobicContact CD2-CE1 4.34Å; F180-F190 HydrophobicContact CE2-CD1 4.28Å; F180-F190 AromaticContact CE2-CE1 3.6Å; F180-F190 HydrophobicContact CE2-CE1 3.6Å; F180-F190 HydrophobicContact CZ-CE1 4.35Å; F190-G225 CarbonylContact C-O 3.52Å; F190-G225 VanDerWaalsContact CA-O 3.23Å; F190-G225 WeakPolarHBondContact CA-O 3.43Å; F190-G225 WeakPolarHBondContact CB-O 3.4Å; F190-A226 HydrophobicContact CB-CB 4.13Å
191	S	98.5	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.9	173.8	63.5	0	0	0	0	112.1	G156 Q157 T158 A176 L224 G225	G156-S191 WeakPolarHBondContact CA-OG 3.17Å; Q157-S191 PolarHBondContact N-OG 3.27Å; T158-S191 WeakPolarHBondContact CG2-OG 3.24Å; A176-S191 CarbonylContact O-C 3.57Å; A176-S191 VanDerWaalsContact O-CA 3.23Å; A176-S191 WeakPolarHBondContact O-CA 3.36Å; S191-L224 WeakPolarHBondContact O-CA 3.11Å; S191-G225 PolarHBondContact N-O 2.89Å; S191-G225 PolarHBondContact O-N 3.14Å
192	Y	98.7	Very high	98.1	Very high	96 Å²	96	38.7 Å²	38.7	38%	0.376	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.1	169.5	177	-97.7	0	0	0	109.1	E175 A176 W194 H222 S223 L224	E175-Y192 CarbonylContact C-O 3.54Å; E175-Y192 WeakPolarHBondContact CA-O 3.25Å; A176-Y192 PolarHBondContact N-O 2.83Å; A176-Y192 PolarHBondContact O-N 2.89Å; Y192-W194 HydrophobicContact CE1-CB 3.96Å; Y192-H222 HydrophobicContact CE2-CB 4.12Å; Y192-H222 AromaticContact CE2-ND1 3.4Å; Y192-H222 WeakPolarHBondContact CE2-ND1 3.43Å; Y192-H222 AromaticContact CZ-ND1 3.58Å; Y192-H222 PolarHBondContact OH-ND1 2.93Å; Y192-S223 CarbonylContact C-O 3.54Å; Y192-S223 VanDerWaalsContact CA-O 3.3Å; Y192-S223 WeakPolarHBondContact CA-O 3.32Å; Y192-L224 HydrophobicContact CD2-CB 4.15Å
193	M	98.7	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.1	172.7	-177.4	167.9	171.3	0	0	110.6	I152 P154 T158 L160 Y171 A174 E175 H222 S223	I152-M193 HydrophobicContact CD1-CE 3.91Å; I152-M193 HydrophobicContact CD1-SD 4.48Å; I152-M193 HydrophobicContact CG1-CE 4.12Å; P154-M193 HydrophobicContact CB-SD 3.64Å; P154-M193 HydrophobicContact CG-CE 3.85Å; P154-M193 HydrophobicContact CG-SD 3.53Å; P154-M193 VanDerWaalsContact CG-SD 3.53Å; T158-M193 HydrophobicContact CG2-CB 3.73Å; L160-M193 HydrophobicContact CB-SD 4.27Å; L160-M193 HydrophobicContact CD1-CB 4.21Å; L160-M193 HydrophobicContact CD1-CE 4.2Å; L160-M193 HydrophobicContact CD1-CG 3.85Å; L160-M193 HydrophobicContact CD1-SD 3.93Å; Y171-M193 HydrophobicContact CD1-CE 4.46Å; Y171-M193 HydrophobicContact CD2-CE 3.97Å; Y171-M193 HydrophobicContact CG-CE 3.75Å; A174-M193 WeakPolarHBondContact O-CA 3.02Å; E175-M193 HydrophobicContact CB-CB 4.08Å; E175-M193 HydrophobicContact CB-CG 4.05Å; E175-M193 HydrophobicContact CB-SD 4.32Å; E175-M193 HydrophobicContact CG-CB 3.96Å; E175-M193 HydrophobicContact CG-CG 4.41Å; M193-H222 CarbonylContact O-C 3.28Å; M193-H222 WeakPolarHBondContact O-CA 3.41Å; M193-H222 VanDerWaalsContact O-CB 3.24Å; M193-H222 WeakPolarHBondContact O-CB 3.22Å; M193-S223 PolarHBondContact N-O 2.81Å; M193-S223 PolarHBondContact O-N 2.92Å
194	W	98.7	Very high	98.1	Very high	67 Å²	67	33.2 Å²	33.2	25%	0.254	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.7	170.3	178	93.7	0	0	0	109.3	I15 G173 A174 Y192 N196 Y220 L221 H222	I15-W194 HydrophobicContact CD1-CD2 4.33Å; G173-W194 CarbonylContact C-O 3.55Å; G173-W194 VanDerWaalsContact CA-O 3.23Å; G173-W194 WeakPolarHBondContact CA-O 3.48Å; A174-W194 PolarHBondContact N-O 2.78Å; A174-W194 PolarHBondContact O-N 2.98Å; Y192-W194 HydrophobicContact CE1-CB 3.96Å; W194-N196 HydrophobicContact CH2-CB 3.52Å; W194-N196 HydrophobicContact CZ2-CB 4.02Å; W194-N196 HydrophobicContact CZ3-CB 4.09Å; W194-Y220 AromaticContact CD1-CD2 3.75Å; W194-Y220 HydrophobicContact CZ2-CG 4.43Å; W194-Y220 AromaticContact NE1-CD1 3.9Å; W194-Y220 AromaticContact NE1-CD2 3.44Å; W194-Y220 AromaticContact NE1-CG 3.23Å; W194-L221 WeakPolarHBondContact CA-O 3.46Å; W194-H222 HydrophobicContact CB-CB 4.39Å
195	T	98.8	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.9	-179.2	-179.1	0	0	0	0	111.4	L160 Y171 Q172 E197 F209 Y220 L221	L160-T195 HydrophobicContact CD1-CG2 3.77Å; Y171-T195 HydrophobicContact CD1-CG2 3.63Å; Y171-T195 WeakPolarHBondContact CD1-OG1 3.49Å; Y171-T195 HydrophobicContact CE1-CG2 4.08Å; Y171-T195 HydrophobicContact CG-CG2 4.46Å; Q172-T195 VanDerWaalsContact O-CA 3.29Å; Q172-T195 WeakPolarHBondContact O-CA 3.48Å; Q172-T195 WeakPolarHBondContact O-CB 3.37Å; Q172-T195 PolarHBondContact O-OG1 3.25Å; T195-E197 PolarHBondContact OG1-O 3.47Å; T195-F209 HydrophobicContact CG2-CE2 4.18Å; T195-F209 HydrophobicContact CG2-CZ 4.18Å; T195-Y220 CarbonylContact O-C 3.57Å; T195-Y220 VanDerWaalsContact O-CA 3.3Å; T195-Y220 WeakPolarHBondContact O-CA 3.34Å; T195-Y220 WeakPolarHBondContact O-CB 3.44Å; T195-L221 HydrophobicContact CG2-CB 3.76Å; T195-L221 HydrophobicContact CG2-CD1 4.46Å; T195-L221 HydrophobicContact CG2-CG 4.37Å; T195-L221 PolarHBondContact N-O 2.67Å; T195-L221 PolarHBondContact O-N 3.12Å
196	N	98.4	Very high	98.2	Very high	37 Å²	37	27.5 Å²	27.5	20%	0.198	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-16.1	-179.7	67	-50.8	0	0	0	114.5	Q172 W194 F209	Q172-N196 PolarHBondContact O-N 3.15Å; Q172-N196 PolarHBondContact O-OD1 2.81Å; W194-N196 HydrophobicContact CH2-CB 3.52Å; W194-N196 HydrophobicContact CZ2-CB 4.02Å; W194-N196 HydrophobicContact CZ3-CB 4.09Å; N196-F209 WeakPolarHBondContact O-CD2 3.49Å; N196-F209 WeakPolarHBondContact O-CE2 3.39Å
197	E	98.5	Very high	98.1	Very high	45 Å²	45	28.1 Å²	28.1	21%	0.21	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.9	178.5	-66.9	169.1	-139.7	0	0	110.3	Q172 T195 M206 D207	Q172-E197 HydrophobicContact CB-CB 4.12Å; Q172-E197 PolarHBondContact N-O 3.21Å; Q172-E197 PolarHBondContact OE1-OE2 2.89Å; T195-E197 PolarHBondContact OG1-O 3.47Å; E197-M206 VanDerWaalsContact C-CE 3.41Å; E197-M206 HydrophobicContact CB-CB 4.24Å; E197-M206 HydrophobicContact CB-CE 3.74Å; E197-M206 WeakPolarHBondContact O-CE 3.5Å; E197-M206 VanDerWaalsContact OE2-CB 3.27Å; E197-M206 WeakPolarHBondContact OE2-CB 3.16Å; E197-D207 CarbonylContact C-O 3.5Å; E197-D207 WeakPolarHBondContact CA-O 3.29Å; E197-D207 VanDerWaalsContact CB-O 3.27Å; E197-D207 WeakPolarHBondContact CB-O 3.41Å
198	Y	98.6	Very high	98.1	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.5	176.4	-180	-101.5	0	0	0	111.7	P162 H163 T170 Y171 A200 M206 D207 F209 S334	P162-Y198 HydrophobicContact CB-CE2 4.47Å; H163-Y198 WeakPolarHBondContact CB-OH 3.1Å; H163-Y198 PolarHBondContact N-OH 2.87Å; H163-Y198 AromaticContact ND1-CE1 3.38Å; H163-Y198 WeakPolarHBondContact ND1-CE1 3.41Å; H163-Y198 AromaticContact ND1-CZ 3.54Å; H163-Y198 PolarHBondContact ND1-OH 3.49Å; T170-Y198 CarbonylContact O-C 3.6Å; T170-Y198 WeakPolarHBondContact O-CA 3.36Å; T170-Y198 WeakPolarHBondContact O-CD2 3.35Å; Y171-Y198 AromaticContact CD1-CD2 3.44Å; Y171-Y198 HydrophobicContact CD1-CD2 3.44Å; Y171-Y198 VanDerWaalsContact CD1-CD2 3.44Å; Y171-Y198 HydrophobicContact CD1-CE2 4.32Å; Y171-Y198 HydrophobicContact CD1-CG 4.12Å; Y171-Y198 AromaticContact CD2-CD2 3.75Å; Y171-Y198 HydrophobicContact CD2-CD2 3.75Å; Y171-Y198 AromaticContact CD2-CE2 3.87Å; Y171-Y198 HydrophobicContact CD2-CE2 3.87Å; Y171-Y198 AromaticContact CE1-CD2 3.34Å; Y171-Y198 HydrophobicContact CE1-CD2 3.34Å; Y171-Y198 HydrophobicContact CE1-CE2 4.04Å; Y171-Y198 AromaticContact CE1-CG 3.89Å; Y171-Y198 HydrophobicContact CE1-CG 3.89Å; Y171-Y198 AromaticContact CE2-CD2 3.67Å; Y171-Y198 HydrophobicContact CE2-CD2 3.67Å; Y171-Y198 AromaticContact CE2-CE2 3.56Å; Y171-Y198 HydrophobicContact CE2-CE2 3.56Å; Y171-Y198 AromaticContact CG-CD2 3.66Å; Y171-Y198 HydrophobicContact CG-CD2 3.66Å; Y171-Y198 HydrophobicContact CG-CE2 4.26Å; Y171-Y198 AromaticContact CZ-CD2 3.46Å; Y171-Y198 VanDerWaalsContact CZ-CD2 3.46Å; Y171-Y198 AromaticContact CZ-CE2 3.65Å; Y198-A200 HydrophobicContact CE1-CB 4.15Å; Y198-A200 VanDerWaalsContact CE1-N 3.33Å; Y198-M206 VanDerWaalsContact CA-CE 3.46Å; Y198-D207 PolarHBondContact N-O 2.82Å; Y198-D207 PolarHBondContact O-N 2.84Å; Y198-F209 VanDerWaalsContact CB-CE1 3.44Å; Y198-F209 HydrophobicContact CG-CE1 4.47Å; Y198-S334 WeakPolarHBondContact CB-O 3.31Å; Y198-S334 WeakPolarHBondContact CD1-O 3.12Å
199	K	98.1	Very high	98.1	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.048	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.4	159.2	65.8	-176.2	175	174.9	0	110.9	S132 L133 G169 T170 H203 L204 E205 M206	S132-K199 PolarHBondContact OG-NZ 2.62Å; L133-K199 WeakPolarHBondContact O-CE 3.33Å; L133-K199 PolarHBondContact O-NZ 2.76Å; G169-K199 CarbonylContact C-O 3.53Å; G169-K199 VanDerWaalsContact CA-O 3.23Å; G169-K199 WeakPolarHBondContact CA-O 3.34Å; T170-K199 PolarHBondContact N-O 3.35Å; T170-K199 PolarHBondContact O-N 3.05Å; K199-H203 HydrophobicContact CB-CB 4.36Å; K199-L204 PolarHBondContact NZ-O 2.74Å; K199-E205 VanDerWaalsContact CB-O 3.24Å; K199-E205 WeakPolarHBondContact CB-O 3.49Å; K199-M206 HydrophobicContact CB-SD 4.1Å; K199-M206 HydrophobicContact CD-CG 4.5Å; K199-M206 HydrophobicContact CD-SD 3.69Å; K199-M206 HydrophobicContact CG-SD 3.59Å; K199-M206 VanDerWaalsContact CG-SD 3.59Å
200	A	97.9	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.131	C	C	.	.			trans	-68.6	160.8	168.1	0	0	0	0	0	110.6	Y198 W202 H203 A333	Y198-A200 HydrophobicContact CE1-CB 4.15Å; Y198-A200 VanDerWaalsContact CE1-N 3.33Å; A200-W202 HydrophobicContact CB-CD2 3.92Å; A200-W202 HydrophobicContact CB-CE3 4.37Å; A200-W202 HydrophobicContact CB-CG 4.44Å; A200-W202 HydrophobicContact CB-CH2 4.28Å; A200-W202 HydrophobicContact CB-CZ2 3.78Å; A200-W202 PolarHBondContact O-N 2.96Å; A200-H203 PolarHBondContact O-N 2.93Å; A200-A333 HydrophobicContact CB-CB 3.79Å
201	P	97.4	Very high	98.1	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.019	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30	179.2	-15.9	20.3	0	0	0	114	F94 F113 H163 S165 M167 H203	F94-P201 VanDerWaalsContact CZ-O 3.25Å; F94-P201 WeakPolarHBondContact CZ-O 3.41Å; F113-P201 VanDerWaalsContact CE1-O 3.26Å; F113-P201 WeakPolarHBondContact CE1-O 3.23Å; H163-P201 HydrophobicContact CB-CG 4.38Å; H163-P201 WeakPolarHBondContact O-CG 3.25Å; S165-P201 WeakPolarHBondContact OG-CB 3.21Å; M167-P201 WeakPolarHBondContact O-CB 3.3Å; M167-P201 VanDerWaalsContact O-CG 3.24Å; M167-P201 WeakPolarHBondContact O-CG 3.25Å; P201-H203 VanDerWaalsContact C-N 3.33Å
202	W	96.9	Very high	97.9	Very high	9 Å²	9	29.6 Å²	29.6	3%	0.034	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5.9	-179.9	51.1	90.1	0	0	0	113.4	E110 A112 F113 S114 H163 A200 Y332 A333	E110-W202 HydrophobicContact CB-CD2 3.91Å; E110-W202 HydrophobicContact CB-CE3 3.61Å; E110-W202 HydrophobicContact CB-CG 4.45Å; E110-W202 HydrophobicContact CB-CH2 4.42Å; E110-W202 HydrophobicContact CB-CZ3 3.88Å; E110-W202 HydrophobicContact CG-CD2 3.94Å; E110-W202 HydrophobicContact CG-CE3 4.07Å; E110-W202 HydrophobicContact CG-CG 4.44Å; E110-W202 HydrophobicContact CG-CH2 4.29Å; E110-W202 HydrophobicContact CG-CZ2 4.19Å; E110-W202 HydrophobicContact CG-CZ3 4.23Å; A112-W202 WeakPolarHBondContact O-CA 3.43Å; A112-W202 WeakPolarHBondContact O-CB 3.34Å; F113-W202 CarbonylContact C-O 3.51Å; F113-W202 VanDerWaalsContact CA-O 3.28Å; F113-W202 WeakPolarHBondContact CA-O 3.48Å; S114-W202 PolarHBondContact N-O 3.4Å; H163-W202 HydrophobicContact CB-CH2 3.85Å; H163-W202 HydrophobicContact CB-CZ3 4.14Å; A200-W202 HydrophobicContact CB-CD2 3.92Å; A200-W202 HydrophobicContact CB-CE3 4.37Å; A200-W202 HydrophobicContact CB-CG 4.44Å; A200-W202 HydrophobicContact CB-CH2 4.28Å; A200-W202 HydrophobicContact CB-CZ2 3.78Å; A200-W202 PolarHBondContact O-N 2.96Å; W202-Y332 HydrophobicContact CZ2-CE2 4.37Å; W202-Y332 AromaticContact NE1-CE1 3.74Å; W202-Y332 AromaticContact NE1-CZ 3.61Å; W202-Y332 PolarHBondContact NE1-OH 3.01Å; W202-Y332 VanDerWaalsContact NE1-OH 3.16Å; W202-A333 HydrophobicContact CZ2-CB 3.96Å
203	H	97.4	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.			trans	-111.4	143	173.1	-68	120.8	0	0	0	110.6	S116 N117 K118 E122 K199 A200 P201	S116-H203 PolarHBondContact O-CD2 3.19Å; N117-H203 WeakPolarHBondContact O-CB 3.32Å; K118-H203 PolarHBondContact O-NE2 2.81Å; E122-H203 IonicContact OE2-CD2 3.12Å; E122-H203 IonicContact OE2-CE1 2.74Å; E122-H203 IonicContact OE2-NE2 3.19Å; E122-H203 PolarHBondContact OE2-NE2 2.69Å; K199-H203 HydrophobicContact CB-CB 4.36Å; A200-H203 PolarHBondContact O-N 2.93Å; P201-H203 VanDerWaalsContact C-N 3.33Å
204	L	97.3	Very high	97.5	Very high	43 Å²	43	31.4 Å²	31.4	23%	0.225	15%	0.147	C	C	.	.	S	Bend	trans	-89.4	-31.8	-176.1	-71.8	177.3	0	0	0	112.5	F113 N117 I131 K199	F113-L204 HydrophobicContact CB-CD2 4.46Å; F113-L204 HydrophobicContact CB-CG 4.27Å; F113-L204 HydrophobicContact CD1-CD2 3.41Å; F113-L204 VanDerWaalsContact CD1-CD2 3.41Å; F113-L204 HydrophobicContact CD1-CG 3.84Å; F113-L204 HydrophobicContact CD2-CD2 3.97Å; F113-L204 HydrophobicContact CE1-CD2 3.47Å; F113-L204 VanDerWaalsContact CE1-CD2 3.47Å; F113-L204 HydrophobicContact CE1-CG 4.35Å; F113-L204 HydrophobicContact CE2-CD2 4.01Å; F113-L204 HydrophobicContact CG-CD2 3.67Å; F113-L204 HydrophobicContact CG-CG 3.98Å; F113-L204 HydrophobicContact CZ-CD2 3.76Å; N117-L204 PolarHBondContact O-N 3.16Å; N117-L204 VanDerWaalsContact O-N 3.16Å; I131-L204 WeakPolarHBondContact O-CD2 3.3Å; K199-L204 PolarHBondContact NZ-O 2.74Å
205	E	97.7	Very high	97.4	Very high	86 Å²	86	33.5 Å²	33.5	40%	0.402	17%	0.167	S	C	.	.	S	Bend	trans	-108.8	145.8	-174.7	-67.3	176.9	-143	0	0	111	N117 K118 K199	N117-E205 HydrophobicContact CB-CB 4.18Å; N117-E205 HydrophobicContact CB-CG 3.89Å; N117-E205 WeakPolarHBondContact CB-OE1 3.19Å; N117-E205 PolarHBondContact ND2-OE1 2.8Å; N117-E205 PolarHBondContact O-N 2.68Å; K118-E205 VanDerWaalsContact CE-OE2 3.22Å; K118-E205 WeakPolarHBondContact CE-OE2 3.32Å; K118-E205 HydrophobicContact CG-CB 3.82Å; K199-E205 VanDerWaalsContact CB-O 3.24Å; K199-E205 WeakPolarHBondContact CB-O 3.49Å
206	M	98.2	Very high	97.3	Very high	19 Å²	19	36.2 Å²	36.2	9%	0.094	18%	0.184	C	C	.	.			trans	-65.6	148.4	169.5	-61.2	-61.7	-59.4	0	0	109.7	Y151 T170 Q172 E197 Y198 K199	Y151-M206 HydrophobicContact CE1-CG 4.29Å; T170-M206 HydrophobicContact CG2-SD 4.23Å; T170-M206 WeakPolarHBondContact O-CE 3.43Å; Q172-M206 HydrophobicContact CB-CE 3.74Å; E197-M206 VanDerWaalsContact C-CE 3.41Å; E197-M206 HydrophobicContact CB-CB 4.24Å; E197-M206 HydrophobicContact CB-CE 3.74Å; E197-M206 WeakPolarHBondContact O-CE 3.5Å; E197-M206 VanDerWaalsContact OE2-CB 3.27Å; E197-M206 WeakPolarHBondContact OE2-CB 3.16Å; Y198-M206 VanDerWaalsContact CA-CE 3.46Å; K199-M206 HydrophobicContact CB-SD 4.1Å; K199-M206 HydrophobicContact CD-CG 4.5Å; K199-M206 HydrophobicContact CD-SD 3.69Å; K199-M206 HydrophobicContact CG-SD 3.59Å; K199-M206 VanDerWaalsContact CG-SD 3.59Å
207	D	97.8	Very high	97.3	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.2	176.6	-147.9	-6.1	0	0	0	111.2	K118 A119 Y120 E197 Y198	K118-D207 WeakPolarHBondContact CB-OD2 3.43Å; A119-D207 PolarHBondContact N-OD2 2.72Å; Y120-D207 HydrophobicContact CD2-CB 4.43Å; Y120-D207 VanDerWaalsContact CD2-OD2 3.3Å; Y120-D207 WeakPolarHBondContact CD2-OD2 3.35Å; Y120-D207 PolarHBondContact N-OD2 3.03Å; Y120-D207 VanDerWaalsContact N-OD2 3.08Å; E197-D207 CarbonylContact C-O 3.5Å; E197-D207 WeakPolarHBondContact CA-O 3.29Å; E197-D207 VanDerWaalsContact CB-O 3.27Å; E197-D207 WeakPolarHBondContact CB-O 3.41Å; Y198-D207 PolarHBondContact N-O 2.82Å; Y198-D207 PolarHBondContact O-N 2.84Å
208	E	97.9	Very high	97.3	Very high	63 Å²	63	36.7 Å²	36.7	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	164.1	172.9	-56.3	-172.3	144.5	0	0	110	Y120 Y210 K217	Y120-E208 WeakPolarHBondContact CD2-O 3.37Å; Y120-E208 WeakPolarHBondContact CE2-O 3.44Å; E208-Y210 HydrophobicContact CB-CE2 3.87Å; E208-Y210 PolarHBondContact OE2-OH 2.88Å; E208-K217 IonicContact OE1-NZ 2.72Å; E208-K217 PolarHBondContact OE1-NZ 2.85Å; E208-K217 WeakPolarHBondContact OE2-CE 3.48Å; E208-K217 IonicContact OE2-NZ 3.52Å; E208-K217 PolarHBondContact OE2-NZ 2.92Å
209	F	98.5	Very high	97.3	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	136.8	174	-58.1	-64.2	0	0	0	111.1	Y171 T195 N196 Y198 V218 L221 T329 S334	Y171-F209 HydrophobicContact CD1-CZ 4.22Å; Y171-F209 HydrophobicContact CE1-CZ 4.12Å; T195-F209 HydrophobicContact CG2-CE2 4.18Å; T195-F209 HydrophobicContact CG2-CZ 4.18Å; N196-F209 WeakPolarHBondContact O-CD2 3.49Å; N196-F209 WeakPolarHBondContact O-CE2 3.39Å; Y198-F209 VanDerWaalsContact CB-CE1 3.44Å; Y198-F209 HydrophobicContact CG-CE1 4.47Å; F209-V218 HydrophobicContact CB-CB 3.88Å; F209-V218 HydrophobicContact CB-CG1 4.29Å; F209-V218 WeakPolarHBondContact CB-O 3.49Å; F209-V218 PolarHBondContact O-N 2.89Å; F209-L221 HydrophobicContact CD1-CD1 4.01Å; F209-L221 HydrophobicContact CD1-CG 4.4Å; F209-L221 HydrophobicContact CD2-CD1 4.22Å; F209-L221 HydrophobicContact CD2-CD2 4.37Å; F209-L221 HydrophobicContact CD2-CG 3.79Å; F209-L221 HydrophobicContact CE1-CD1 3.63Å; F209-L221 HydrophobicContact CE1-CG 4.28Å; F209-L221 HydrophobicContact CE2-CB 4.49Å; F209-L221 HydrophobicContact CE2-CD1 3.85Å; F209-L221 HydrophobicContact CE2-CG 3.65Å; F209-L221 HydrophobicContact CG-CD1 4.28Å; F209-L221 HydrophobicContact CG-CD2 4.44Å; F209-L221 HydrophobicContact CG-CG 4.17Å; F209-L221 HydrophobicContact CZ-CD1 3.54Å; F209-L221 HydrophobicContact CZ-CG 3.91Å; F209-T329 HydrophobicContact CB-CG2 4.04Å; F209-T329 HydrophobicContact CD1-CG2 4.4Å; F209-S334 WeakPolarHBondContact CE1-O 3.34Å
210	Y	98	Very high	97.3	Very high	46 Å²	46	43.2 Å²	43.2	18%	0.18	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.3	172.3	-54.4	-88.3	0	0	0	111.1	Y120 E208 T216 K217	Y120-Y210 AromaticContact CD1-CD2 3.83Å; Y120-Y210 HydrophobicContact CD1-CD2 3.83Å; Y120-Y210 HydrophobicContact CD1-CG 4.36Å; Y120-Y210 AromaticContact CD2-CD2 3.52Å; Y120-Y210 HydrophobicContact CD2-CD2 3.52Å; Y120-Y210 HydrophobicContact CD2-CE2 4.04Å; Y120-Y210 AromaticContact CE1-CD2 3.93Å; Y120-Y210 HydrophobicContact CE1-CD2 3.93Å; Y120-Y210 HydrophobicContact CE1-CG 4.25Å; Y120-Y210 AromaticContact CE2-CD2 3.66Å; Y120-Y210 HydrophobicContact CE2-CD2 3.66Å; Y120-Y210 HydrophobicContact CE2-CE2 4.44Å; Y120-Y210 AromaticContact CG-CD2 3.61Å; Y120-Y210 HydrophobicContact CG-CD2 3.61Å; Y120-Y210 HydrophobicContact CG-CE2 4.22Å; Y120-Y210 AromaticContact CZ-CD2 3.82Å; Y120-Y210 PolarHBondContact OH-N 2.72Å; Y120-Y210 PolarHBondContact OH-O 2.95Å; E208-Y210 HydrophobicContact CB-CE2 3.87Å; E208-Y210 PolarHBondContact OE2-OH 2.88Å; Y210-T216 CarbonylContact C-O 3.57Å; Y210-T216 VanDerWaalsContact CA-O 3.24Å; Y210-T216 WeakPolarHBondContact CA-O 3.43Å; Y210-K217 HydrophobicContact CD1-CB 4.13Å; Y210-K217 HydrophobicContact CE1-CB 4.09Å; Y210-K217 HydrophobicContact CE1-CG 4.41Å
211	Q	97.2	Very high	97.3	Very high	23 Å²	23	43.2 Å²	43.2	11%	0.107	22%	0.215	C	C	.	.			trans	-67.5	-178.8	169.8	-55.2	-171.6	17.6	0	0	111.1	D213 K214 T216 V218 Y246 N284	Q211-D213 PolarHBondContact O-N 2.7Å; Q211-K214 PolarHBondContact O-N 3.21Å; Q211-T216 HydrophobicContact CG-CG2 4.07Å; Q211-T216 PolarHBondContact N-O 3.03Å; Q211-T216 VanDerWaalsContact NE2-CG2 3.34Å; Q211-V218 HydrophobicContact CG-CG2 3.84Å; Q211-Y246 HydrophobicContact CB-CD1 4.47Å; Q211-Y246 HydrophobicContact CB-CD2 4.37Å; Q211-Y246 HydrophobicContact CB-CE1 4.15Å; Q211-Y246 HydrophobicContact CB-CE2 4.09Å; Q211-Y246 HydrophobicContact CG-CD1 4Å; Q211-Y246 HydrophobicContact CG-CD2 3.81Å; Q211-Y246 HydrophobicContact CG-CE1 4.19Å; Q211-Y246 HydrophobicContact CG-CE2 4.05Å; Q211-Y246 HydrophobicContact CG-CG 3.79Å; Q211-N284 HydrophobicContact CB-CB 4.48Å; Q211-N284 VanDerWaalsContact CB-OD1 3.3Å; Q211-N284 WeakPolarHBondContact CB-OD1 3.39Å; Q211-N284 PolarHBondContact OE1-ND2 3Å
212	N	94.6	Very high	97.4	Very high	56 Å²	56	44.6 Å²	44.6	30%	0.299	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.2	-173.9	-160.1	40.3	0	0	0	113.7	K214 Y246 V283 N284 L286	N212-K214 PolarHBondContact O-N 2.99Å; N212-Y246 PolarHBondContact N-OH 3.27Å; N212-V283 WeakPolarHBondContact CB-O 3.37Å; N212-V283 PolarHBondContact ND2-O 2.99Å; N212-N284 PolarHBondContact N-OD1 2.92Å; N212-L286 HydrophobicContact CB-CD2 4.24Å
213	D	94.8	Very high	97.5	Very high	43 Å²	43	44.2 Å²	44.2	23%	0.23	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.1	170.4	67.1	18	0	0	0	114.9	Q211 T215 T216 V283 N284	Q211-D213 PolarHBondContact O-N 2.7Å; D213-T215 PolarHBondContact O-N 2.88Å; D213-T215 VanDerWaalsContact O-N 3.15Å; D213-T215 PolarHBondContact OD1-N 2.91Å; D213-T215 PolarHBondContact OD1-OG1 2.8Å; D213-T216 PolarHBondContact OD1-N 2.9Å; D213-T216 VanDerWaalsContact OD2-CB 3.27Å; D213-T216 WeakPolarHBondContact OD2-CB 3.41Å; D213-T216 PolarHBondContact OD2-OG1 3Å; D213-V283 HydrophobicContact CB-CG2 3.67Å; D213-N284 PolarHBondContact N-OD1 3.46Å; D213-N284 PolarHBondContact OD2-ND2 2.83Å
214	K	95.3	Very high	97.5	Very high	91 Å²	91	48.6 Å²	48.6	40%	0.396	24%	0.243	S	C	.	.	S	Bend	trans	59.1	17.3	-178.3	-51.3	-172.5	177.4	-169.8	0	115.4	Y120 Q211 N212 T331	Y120-K214 HydrophobicContact CD1-CB 4.04Å; Y120-K214 HydrophobicContact CD1-CG 4.07Å; Q211-K214 PolarHBondContact O-N 3.21Å; N212-K214 PolarHBondContact O-N 2.99Å; K214-T331 HydrophobicContact CG-CG2 4.46Å
215	T	96	Very high	97.6	Very high	111 Å²	111	46.8 Å²	46.8	68%	0.681	23%	0.234	S	C	*	.	S	Bend	trans	-134.8	-31	-177.6	55.9	0	0	0	0	113	D213 K217	D213-T215 PolarHBondContact O-N 2.88Å; D213-T215 VanDerWaalsContact O-N 3.15Å; D213-T215 PolarHBondContact OD1-N 2.91Å; D213-T215 PolarHBondContact OD1-OG1 2.8Å; T215-K217 PolarHBondContact O-N 2.79Å
216	T	97.3	Very high	97.6	Very high	57 Å²	57	44.4 Å²	44.4	35%	0.35	23%	0.229	S	C	.	.	S	Bend	trans	-79.4	112.9	174.8	-60	0	0	0	0	109.4	Y210 Q211 D213	Y210-T216 CarbonylContact C-O 3.57Å; Y210-T216 VanDerWaalsContact CA-O 3.24Å; Y210-T216 WeakPolarHBondContact CA-O 3.43Å; Q211-T216 HydrophobicContact CG-CG2 4.07Å; Q211-T216 PolarHBondContact N-O 3.03Å; Q211-T216 VanDerWaalsContact NE2-CG2 3.34Å; D213-T216 PolarHBondContact OD1-N 2.9Å; D213-T216 VanDerWaalsContact OD2-CB 3.27Å; D213-T216 WeakPolarHBondContact OD2-CB 3.41Å; D213-T216 PolarHBondContact OD2-OG1 3Å
217	K	97.9	Very high	97.7	Very high	90 Å²	90	46.6 Å²	46.6	39%	0.391	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	146.8	-177.1	-174	171.7	177	164.9	0	112.7	E208 Y210 T215 D219	E208-K217 IonicContact OE1-NZ 2.72Å; E208-K217 PolarHBondContact OE1-NZ 2.85Å; E208-K217 WeakPolarHBondContact OE2-CE 3.48Å; E208-K217 IonicContact OE2-NZ 3.52Å; E208-K217 PolarHBondContact OE2-NZ 2.92Å; Y210-K217 HydrophobicContact CD1-CB 4.13Å; Y210-K217 HydrophobicContact CE1-CB 4.09Å; Y210-K217 HydrophobicContact CE1-CG 4.41Å; T215-K217 PolarHBondContact O-N 2.79Å; K217-D219 WeakPolarHBondContact CD-OD1 3.47Å; K217-D219 VanDerWaalsContact CE-OD1 3.31Å; K217-D219 WeakPolarHBondContact CE-OD1 3.14Å
218	V	98.4	Very high	97.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.7	166.5	173.6	0	0	0	0	106.5	F209 Q211 Y220 L221 A243 E244 Y246 T329	F209-V218 HydrophobicContact CB-CB 3.88Å; F209-V218 HydrophobicContact CB-CG1 4.29Å; F209-V218 WeakPolarHBondContact CB-O 3.49Å; F209-V218 PolarHBondContact O-N 2.89Å; Q211-V218 HydrophobicContact CG-CG2 3.84Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 2.8Å; V218-L221 HydrophobicContact CG1-CD2 3.94Å; V218-A243 HydrophobicContact CG1-CB 3.82Å; V218-E244 HydrophobicContact CG1-CB 4.42Å; V218-Y246 HydrophobicContact CG2-CD1 4.09Å; V218-Y246 HydrophobicContact CG2-CG 4.34Å; V218-T329 HydrophobicContact CG2-CG2 4.5Å
219	D	98.2	Very high	97.7	Very high	90 Å²	90	48.7 Å²	48.7	48%	0.481	25%	0.247	S	C	.	.			trans	-72.7	-26.7	-167.3	-55.3	-50.1	0	0	0	113.4	K217 E244	K217-D219 WeakPolarHBondContact CD-OD1 3.47Å; K217-D219 VanDerWaalsContact CE-OD1 3.31Å; K217-D219 WeakPolarHBondContact CE-OD1 3.14Å; D219-E244 WeakPolarHBondContact CB-OE2 3.4Å
220	Y	98.6	Very high	97.7	Very high	61 Å²	61	51.9 Å²	51.9	24%	0.239	26%	0.261	C	S	.	.			trans	-155.8	160.3	174	63.7	-91.2	0	0	0	113.8	W194 T195 V218 H222 E244	W194-Y220 AromaticContact CD1-CD2 3.75Å; W194-Y220 HydrophobicContact CZ2-CG 4.43Å; W194-Y220 AromaticContact NE1-CD1 3.9Å; W194-Y220 AromaticContact NE1-CD2 3.44Å; W194-Y220 AromaticContact NE1-CG 3.23Å; T195-Y220 CarbonylContact O-C 3.57Å; T195-Y220 VanDerWaalsContact O-CA 3.3Å; T195-Y220 WeakPolarHBondContact O-CA 3.34Å; T195-Y220 WeakPolarHBondContact O-CB 3.44Å; V218-Y220 VanDerWaalsContact C-N 3.32Å; V218-Y220 PolarHBondContact O-N 2.8Å; Y220-H222 HydrophobicContact CD2-CB 4.48Å; Y220-E244 HydrophobicContact CD1-CB 4.13Å; Y220-E244 HydrophobicContact CD1-CG 4.47Å; Y220-E244 VanDerWaalsContact CD1-OE2 3.22Å; Y220-E244 WeakPolarHBondContact CD1-OE2 3.45Å; Y220-E244 HydrophobicContact CD2-CB 4.45Å; Y220-E244 HydrophobicContact CE1-CB 3.88Å; Y220-E244 HydrophobicContact CE1-CG 3.84Å; Y220-E244 VanDerWaalsContact CE1-OE1 3.31Å; Y220-E244 WeakPolarHBondContact CE1-OE1 3.45Å; Y220-E244 WeakPolarHBondContact CE1-OE2 3.22Å; Y220-E244 HydrophobicContact CE2-CB 4.2Å; Y220-E244 HydrophobicContact CG-CB 4.39Å; Y220-E244 PolarHBondContact O-N 3.11Å
221	L	98.7	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.8	162.4	-45.6	179.9	0	0	0	109.2	L160 W194 T195 F209 V218 Q242 A243 M328 T329	L160-L221 HydrophobicContact CD2-CB 4.16Å; L160-L221 HydrophobicContact CD2-CD1 4.06Å; W194-L221 WeakPolarHBondContact CA-O 3.46Å; T195-L221 HydrophobicContact CG2-CB 3.76Å; T195-L221 HydrophobicContact CG2-CD1 4.46Å; T195-L221 HydrophobicContact CG2-CG 4.37Å; T195-L221 PolarHBondContact N-O 2.67Å; T195-L221 PolarHBondContact O-N 3.12Å; F209-L221 HydrophobicContact CD1-CD1 4.01Å; F209-L221 HydrophobicContact CD1-CG 4.4Å; F209-L221 HydrophobicContact CD2-CD1 4.22Å; F209-L221 HydrophobicContact CD2-CD2 4.37Å; F209-L221 HydrophobicContact CD2-CG 3.79Å; F209-L221 HydrophobicContact CE1-CD1 3.63Å; F209-L221 HydrophobicContact CE1-CG 4.28Å; F209-L221 HydrophobicContact CE2-CB 4.49Å; F209-L221 HydrophobicContact CE2-CD1 3.85Å; F209-L221 HydrophobicContact CE2-CG 3.65Å; F209-L221 HydrophobicContact CG-CD1 4.28Å; F209-L221 HydrophobicContact CG-CD2 4.44Å; F209-L221 HydrophobicContact CG-CG 4.17Å; F209-L221 HydrophobicContact CZ-CD1 3.54Å; F209-L221 HydrophobicContact CZ-CG 3.91Å; V218-L221 HydrophobicContact CG1-CD2 3.94Å; L221-Q242 WeakPolarHBondContact CA-O 3.46Å; L221-A243 HydrophobicContact CD2-CB 3.5Å; L221-A243 VanDerWaalsContact CD2-CB 3.5Å; L221-M328 HydrophobicContact CB-SD 4.05Å; L221-M328 HydrophobicContact CD1-CB 4.23Å; L221-M328 HydrophobicContact CD2-CB 3.94Å; L221-M328 HydrophobicContact CD2-SD 4.37Å; L221-T329 HydrophobicContact CD2-CG2 4.4Å
222	H	98.6	Very high	97.7	Very high	32 Å²	32	57.2 Å²	57.2	15%	0.148	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.1	168.5	74.6	148.4	0	0	0	111.9	Y192 M193 W194 Y220 G241 Q242	Y192-H222 HydrophobicContact CE2-CB 4.12Å; Y192-H222 AromaticContact CE2-ND1 3.4Å; Y192-H222 WeakPolarHBondContact CE2-ND1 3.43Å; Y192-H222 AromaticContact CZ-ND1 3.58Å; Y192-H222 PolarHBondContact OH-ND1 2.93Å; M193-H222 CarbonylContact O-C 3.28Å; M193-H222 WeakPolarHBondContact O-CA 3.41Å; M193-H222 VanDerWaalsContact O-CB 3.24Å; M193-H222 WeakPolarHBondContact O-CB 3.22Å; W194-H222 HydrophobicContact CB-CB 4.39Å; Y220-H222 HydrophobicContact CD2-CB 4.48Å; H222-G241 CarbonylContact O-C 3.52Å; H222-G241 WeakPolarHBondContact O-CA 3.36Å; H222-Q242 PolarHBondContact N-O 3.31Å; H222-Q242 PolarHBondContact NE2-OE1 3Å; H222-Q242 PolarHBondContact O-N 2.87Å
223	S	98.7	Very high	97.8	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	139.1	174.9	177.9	0	0	0	0	111.9	L159 Y192 M193 F240	L159-S223 WeakPolarHBondContact CB-OG 3.45Å; L159-S223 PolarHBondContact N-OG 3.02Å; Y192-S223 CarbonylContact C-O 3.54Å; Y192-S223 VanDerWaalsContact CA-O 3.3Å; Y192-S223 WeakPolarHBondContact CA-O 3.32Å; M193-S223 PolarHBondContact N-O 2.81Å; M193-S223 PolarHBondContact O-N 2.92Å; S223-F240 CarbonylContact C-O 3.45Å; S223-F240 WeakPolarHBondContact CA-O 3.42Å; S223-F240 WeakPolarHBondContact CB-O 3.27Å; S223-F240 PolarHBondContact OG-O 2.8Å
224	L	98.6	Very high	98	Very high	93 Å²	93	59.5 Å²	59.5	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.9	170.1	175.9	65.5	0	0	0	108.3	S191 Y192 A239 F240	S191-L224 WeakPolarHBondContact O-CA 3.11Å; Y192-L224 HydrophobicContact CD2-CB 4.15Å; L224-A239 CarbonylContact O-C 3.58Å; L224-A239 VanDerWaalsContact O-CA 3.3Å; L224-A239 WeakPolarHBondContact O-CA 3.18Å; L224-F240 PolarHBondContact N-O 2.89Å; L224-F240 PolarHBondContact O-N 2.93Å; L224-F240 VanDerWaalsContact O-O 3.07Å
225	G	98.7	Very high	98.1	Very high	4 Å²	4	56.3 Å²	56.3	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	171.4	165.7	0	0	0	0	0	114.1	Q157 F190 S191 A238	Q157-G225 CarbonylContact O-C 3.56Å; Q157-G225 WeakPolarHBondContact O-CA 3.36Å; F190-G225 CarbonylContact C-O 3.52Å; F190-G225 VanDerWaalsContact CA-O 3.23Å; F190-G225 WeakPolarHBondContact CA-O 3.43Å; F190-G225 WeakPolarHBondContact CB-O 3.4Å; S191-G225 PolarHBondContact N-O 2.89Å; S191-G225 PolarHBondContact O-N 3.14Å; G225-A238 CarbonylContact C-O 3.46Å; G225-A238 WeakPolarHBondContact CA-O 3.45Å
226	A	98.7	Very high	98.3	Very high	37 Å²	37	54.3 Å²	54.3	31%	0.306	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.8	-173.6	0	0	0	0	0	111.1	L188 S189 F190 E237 A238	L188-A226 HydrophobicContact CD1-CB 4.41Å; S189-A226 CarbonylContact O-C 3.58Å; S189-A226 WeakPolarHBondContact O-CA 3.45Å; F190-A226 HydrophobicContact CB-CB 4.13Å; A226-E237 WeakPolarHBondContact O-CA 3.29Å; A226-A238 PolarHBondContact N-O 2.77Å; A226-A238 PolarHBondContact O-N 2.78Å
227	K	98.7	Very high	98.3	Very high	64 Å²	64	52.8 Å²	52.8	28%	0.278	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.2	173.8	173.4	176.6	72.6	178.7	0	108.6	Q157 S189 V235 L236 E237	Q157-K227 HydrophobicContact CG-CB 3.53Å; S189-K227 PolarHBondContact N-O 3.16Å; S189-K227 PolarHBondContact O-N 2.98Å; K227-V235 HydrophobicContact CD-CG1 3.89Å; K227-V235 HydrophobicContact CG-CG1 3.66Å; K227-L236 CarbonylContact C-O 3.56Å; K227-L236 VanDerWaalsContact CA-O 3.27Å; K227-L236 WeakPolarHBondContact CA-O 3.37Å; K227-E237 HydrophobicContact CB-CG 3.87Å; K227-E237 HydrophobicContact CD-CG 4.04Å; K227-E237 HydrophobicContact CG-CG 3.71Å
228	Y	98.8	Very high	98.4	Very high	61 Å²	61	51.1 Å²	51.1	24%	0.239	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.2	167.6	-161.1	-89.2	0	0	0	109.6	A185 A187 L188 F230 V235 L236	A185-Y228 PolarHBondContact O-OH 2.88Å; A187-Y228 WeakPolarHBondContact O-CA 3.23Å; L188-Y228 HydrophobicContact CB-CD2 3.89Å; L188-Y228 HydrophobicContact CB-CE2 4.15Å; L188-Y228 HydrophobicContact CD1-CD2 4.14Å; Y228-F230 HydrophobicContact CD1-CB 4.5Å; Y228-F230 AromaticContact CD1-CD1 3.73Å; Y228-F230 HydrophobicContact CD1-CD1 3.73Å; Y228-F230 AromaticContact CD1-CD2 3.62Å; Y228-F230 HydrophobicContact CD1-CD2 3.62Å; Y228-F230 AromaticContact CD1-CE1 3.72Å; Y228-F230 HydrophobicContact CD1-CE1 3.72Å; Y228-F230 AromaticContact CD1-CE2 3.61Å; Y228-F230 HydrophobicContact CD1-CE2 3.61Å; Y228-F230 AromaticContact CD1-CG 3.68Å; Y228-F230 HydrophobicContact CD1-CG 3.68Å; Y228-F230 AromaticContact CD1-CZ 3.65Å; Y228-F230 HydrophobicContact CD1-CZ 3.65Å; Y228-F230 HydrophobicContact CE1-CB 4.45Å; Y228-F230 AromaticContact CE1-CD1 3.55Å; Y228-F230 HydrophobicContact CE1-CD1 3.55Å; Y228-F230 HydrophobicContact CE1-CD2 4.26Å; Y228-F230 AromaticContact CE1-CE1 3.73Å; Y228-F230 HydrophobicContact CE1-CE1 3.73Å; Y228-F230 HydrophobicContact CE1-CE2 4.41Å; Y228-F230 AromaticContact CE1-CG 3.83Å; Y228-F230 HydrophobicContact CE1-CG 3.83Å; Y228-F230 HydrophobicContact CE1-CZ 4.17Å; Y228-F230 HydrophobicContact CG-CE2 4.42Å; Y228-F230 HydrophobicContact CG-CZ 4.48Å; Y228-V235 WeakPolarHBondContact O-CA 3.32Å; Y228-L236 PolarHBondContact N-O 3.08Å; Y228-L236 PolarHBondContact O-N 3.18Å
229	D	98.6	Very high	98.4	Very high	59 Å²	59	51.5 Å²	51.5	32%	0.316	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.6	169.1	-175.5	-14.6	0	0	0	108.3	G186 A187 K231 V235	G186-D229 CarbonylContact C-O 3.58Å; G186-D229 WeakPolarHBondContact CA-O 3.24Å; A187-D229 PolarHBondContact N-O 2.84Å; A187-D229 PolarHBondContact O-N 2.85Å; D229-K231 PolarHBondContact O-N 3.36Å; D229-K231 WeakPolarHBondContact OD1-CA 3.43Å; D229-K231 PolarHBondContact OD1-N 2.82Å; D229-V235 HydrophobicContact CB-CG2 4.32Å
230	F	98.5	Very high	98.4	Very high	68 Å²	68	50.6 Å²	50.6	30%	0.298	26%	0.258	S	S	.	.			trans	-75.3	-2.7	-179.7	-70.4	-93.9	0	0	0	113	Y228 N232 F234 L236	Y228-F230 HydrophobicContact CD1-CB 4.5Å; Y228-F230 AromaticContact CD1-CD1 3.73Å; Y228-F230 HydrophobicContact CD1-CD1 3.73Å; Y228-F230 AromaticContact CD1-CD2 3.62Å; Y228-F230 HydrophobicContact CD1-CD2 3.62Å; Y228-F230 AromaticContact CD1-CE1 3.72Å; Y228-F230 HydrophobicContact CD1-CE1 3.72Å; Y228-F230 AromaticContact CD1-CE2 3.61Å; Y228-F230 HydrophobicContact CD1-CE2 3.61Å; Y228-F230 AromaticContact CD1-CG 3.68Å; Y228-F230 HydrophobicContact CD1-CG 3.68Å; Y228-F230 AromaticContact CD1-CZ 3.65Å; Y228-F230 HydrophobicContact CD1-CZ 3.65Å; Y228-F230 HydrophobicContact CE1-CB 4.45Å; Y228-F230 AromaticContact CE1-CD1 3.55Å; Y228-F230 HydrophobicContact CE1-CD1 3.55Å; Y228-F230 HydrophobicContact CE1-CD2 4.26Å; Y228-F230 AromaticContact CE1-CE1 3.73Å; Y228-F230 HydrophobicContact CE1-CE1 3.73Å; Y228-F230 HydrophobicContact CE1-CE2 4.41Å; Y228-F230 AromaticContact CE1-CG 3.83Å; Y228-F230 HydrophobicContact CE1-CG 3.83Å; Y228-F230 HydrophobicContact CE1-CZ 4.17Å; Y228-F230 HydrophobicContact CG-CE2 4.42Å; Y228-F230 HydrophobicContact CG-CZ 4.48Å; F230-N232 WeakPolarHBondContact CB-OD1 3.28Å; F230-N232 PolarHBondContact O-N 2.91Å; F230-F234 WeakPolarHBondContact CB-O 3.37Å; F230-F234 HydrophobicContact CD2-CB 4.41Å; F230-F234 AromaticContact CD2-CD1 3.49Å; F230-F234 HydrophobicContact CD2-CD1 3.49Å; F230-F234 VanDerWaalsContact CD2-CD1 3.49Å; F230-F234 HydrophobicContact CD2-CE1 4.19Å; F230-F234 HydrophobicContact CD2-CG 4.29Å; F230-F234 WeakPolarHBondContact CD2-O 3.38Å; F230-F234 AromaticContact CE2-CD1 3.64Å; F230-F234 HydrophobicContact CE2-CD1 3.64Å; F230-F234 AromaticContact CE2-CE1 3.85Å; F230-F234 HydrophobicContact CE2-CE1 3.85Å; F230-F234 HydrophobicContact CG-CD1 4.18Å; F230-F234 HydrophobicContact CZ-CD1 4.43Å; F230-F234 HydrophobicContact CZ-CE1 4.47Å; F230-F234 PolarHBondContact N-O 2.77Å; F230-L236 HydrophobicContact CE2-CB 4.31Å; F230-L236 HydrophobicContact CE2-CD1 3.86Å; F230-L236 HydrophobicContact CE2-CG 3.94Å; F230-L236 HydrophobicContact CZ-CD1 4.17Å
231	K	97	Very high	98.4	Very high	92 Å²	92	47.7 Å²	47.7	40%	0.4	25%	0.247	S	C	.	.	S	Bend	trans	56.2	18.5	-176.5	-64.7	-177.7	-178.9	-178.4	0	114.7	D181 G183 D229	D181-K231 IonicContact OD1-NZ 3.36Å; D181-K231 PolarHBondContact OD1-NZ 3.1Å; D181-K231 IonicContact OD2-NZ 2.91Å; D181-K231 PolarHBondContact OD2-NZ 2.92Å; G183-K231 WeakPolarHBondContact O-CD 3.47Å; G183-K231 WeakPolarHBondContact O-CE 3.26Å; G183-K231 PolarHBondContact O-NZ 2.94Å; D229-K231 PolarHBondContact O-N 3.36Å; D229-K231 WeakPolarHBondContact OD1-CA 3.43Å; D229-K231 PolarHBondContact OD1-N 2.82Å
232	N	96.5	Very high	98.4	Very high	89 Å²	89	49.6 Å²	49.6	48%	0.476	26%	0.256	S	S	.	.	S	Bend	trans	-120.6	29.9	174.8	65.1	6.9	0	0	0	110.9	F230 F234	F230-N232 WeakPolarHBondContact CB-OD1 3.28Å; F230-N232 PolarHBondContact O-N 2.91Å; N232-F234 PolarHBondContact O-N 2.69Å; N232-F234 VanDerWaalsContact OD1-CB 3.27Å; N232-F234 WeakPolarHBondContact OD1-CB 3.23Å; N232-F234 PolarHBondContact OD1-N 3.29Å; N232-F234 VanDerWaalsContact OD1-N 3.15Å
233	N	97.3	Very high	98.4	Very high	80 Å²	80	48 Å²	48	43%	0.428	25%	0.249	S	C	.	.	S	Bend	trans	67.8	-0.2	-173.3	-57.8	-54.9	0	0	0	116	Y256 K257	N233-Y256 HydrophobicContact CB-CD2 4.4Å; N233-Y256 HydrophobicContact CB-CE2 4.21Å; N233-Y256 WeakPolarHBondContact O-CA 3.01Å; N233-Y256 WeakPolarHBondContact O-CD2 3.24Å; N233-K257 HydrophobicContact CB-CB 4.04Å; N233-K257 WeakPolarHBondContact CB-O 3.5Å; N233-K257 PolarHBondContact O-N 2.89Å; N233-K257 WeakPolarHBondContact OD1-CE 3.39Å; N233-K257 PolarHBondContact OD1-NZ 2.92Å
234	F	98.6	Very high	98.4	Very high	67 Å²	67	51 Å²	51	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.6	171.6	-173	-125	0	0	0	110.7	F230 N232 L236 A254 S255 Y256	F230-F234 WeakPolarHBondContact CB-O 3.37Å; F230-F234 HydrophobicContact CD2-CB 4.41Å; F230-F234 AromaticContact CD2-CD1 3.49Å; F230-F234 HydrophobicContact CD2-CD1 3.49Å; F230-F234 VanDerWaalsContact CD2-CD1 3.49Å; F230-F234 HydrophobicContact CD2-CE1 4.19Å; F230-F234 HydrophobicContact CD2-CG 4.29Å; F230-F234 WeakPolarHBondContact CD2-O 3.38Å; F230-F234 AromaticContact CE2-CD1 3.64Å; F230-F234 HydrophobicContact CE2-CD1 3.64Å; F230-F234 AromaticContact CE2-CE1 3.85Å; F230-F234 HydrophobicContact CE2-CE1 3.85Å; F230-F234 HydrophobicContact CG-CD1 4.18Å; F230-F234 HydrophobicContact CZ-CD1 4.43Å; F230-F234 HydrophobicContact CZ-CE1 4.47Å; F230-F234 PolarHBondContact N-O 2.77Å; N232-F234 PolarHBondContact O-N 2.69Å; N232-F234 VanDerWaalsContact OD1-CB 3.27Å; N232-F234 WeakPolarHBondContact OD1-CB 3.23Å; N232-F234 PolarHBondContact OD1-N 3.29Å; N232-F234 VanDerWaalsContact OD1-N 3.15Å; F234-L236 HydrophobicContact CD1-CG 4.42Å; F234-L236 HydrophobicContact CE1-CD1 3.79Å; F234-L236 HydrophobicContact CE1-CD2 3.9Å; F234-L236 HydrophobicContact CE1-CG 3.6Å; F234-L236 HydrophobicContact CE2-CD2 4.05Å; F234-L236 HydrophobicContact CZ-CD1 4.1Å; F234-L236 HydrophobicContact CZ-CD2 3.39Å; F234-L236 HydrophobicContact CZ-CG 3.67Å; F234-A254 HydrophobicContact CE2-CB 4.16Å; F234-A254 HydrophobicContact CZ-CB 4.5Å; F234-S255 WeakPolarHBondContact CA-O 3.18Å; F234-S255 WeakPolarHBondContact CD2-O 3.23Å; F234-Y256 HydrophobicContact CB-CD2 3.78Å; F234-Y256 HydrophobicContact CB-CE2 4.18Å; F234-Y256 HydrophobicContact CD2-CD2 4.14Å; F234-Y256 HydrophobicContact CG-CD2 4.41Å
235	V	98.8	Very high	98.3	Very high	24 Å²	24	48.9 Å²	48.9	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134	177.7	-176.3	0	0	0	0	108.8	K227 Y228 D229 E237 A254 S255	K227-V235 HydrophobicContact CD-CG1 3.89Å; K227-V235 HydrophobicContact CG-CG1 3.66Å; Y228-V235 WeakPolarHBondContact O-CA 3.32Å; D229-V235 HydrophobicContact CB-CG2 4.32Å; V235-E237 HydrophobicContact CG1-CG 4.32Å; V235-A254 WeakPolarHBondContact O-CA 3.25Å; V235-S255 PolarHBondContact N-O 3.05Å; V235-S255 PolarHBondContact O-N 3.43Å
236	L	98.8	Very high	98.3	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.366	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.2	172.5	-70.9	-179.2	0	0	0	110	K227 Y228 F230 F234 K253 A254	K227-L236 CarbonylContact C-O 3.56Å; K227-L236 VanDerWaalsContact CA-O 3.27Å; K227-L236 WeakPolarHBondContact CA-O 3.37Å; Y228-L236 PolarHBondContact N-O 3.08Å; Y228-L236 PolarHBondContact O-N 3.18Å; F230-L236 HydrophobicContact CE2-CB 4.31Å; F230-L236 HydrophobicContact CE2-CD1 3.86Å; F230-L236 HydrophobicContact CE2-CG 3.94Å; F230-L236 HydrophobicContact CZ-CD1 4.17Å; F234-L236 HydrophobicContact CD1-CG 4.42Å; F234-L236 HydrophobicContact CE1-CD1 3.79Å; F234-L236 HydrophobicContact CE1-CD2 3.9Å; F234-L236 HydrophobicContact CE1-CG 3.6Å; F234-L236 HydrophobicContact CE2-CD2 4.05Å; F234-L236 HydrophobicContact CZ-CD1 4.1Å; F234-L236 HydrophobicContact CZ-CD2 3.39Å; F234-L236 HydrophobicContact CZ-CG 3.67Å; L236-K253 CarbonylContact C-O 3.58Å; L236-K253 WeakPolarHBondContact CA-O 3.22Å; L236-A254 HydrophobicContact CD2-CB 3.54Å
237	E	98.7	Very high	98.2	Very high	25 Å²	25	47 Å²	47	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.3	173.6	-56.5	-173.1	-101.9	0	0	110.1	A226 K227 V235 F251 A252 K253 R338	A226-E237 WeakPolarHBondContact O-CA 3.29Å; K227-E237 HydrophobicContact CB-CG 3.87Å; K227-E237 HydrophobicContact CD-CG 4.04Å; K227-E237 HydrophobicContact CG-CG 3.71Å; V235-E237 HydrophobicContact CG1-CG 4.32Å; E237-F251 HydrophobicContact CB-CE1 3.78Å; E237-F251 HydrophobicContact CB-CZ 4.46Å; E237-A252 CarbonylContact O-C 3.57Å; E237-A252 WeakPolarHBondContact O-CA 3.07Å; E237-K253 HydrophobicContact CB-CB 4.29Å; E237-K253 PolarHBondContact N-O 2.91Å; E237-K253 PolarHBondContact O-N 2.68Å; E237-R338 IonicContact OE1-CZ 3.6Å; E237-R338 IonicContact OE1-NH1 3.08Å; E237-R338 IonicContact OE1-NH2 2.76Å; E237-R338 PolarHBondContact OE1-NH2 2.81Å; E237-R338 IonicContact OE2-CZ 2.68Å; E237-R338 IonicContact OE2-NH1 2.77Å; E237-R338 PolarHBondContact OE2-NH1 3.2Å; E237-R338 IonicContact OE2-NH2 2.62Å; E237-R338 PolarHBondContact OE2-NH2 2.88Å
238	A	98.7	Very high	98.2	Very high	54 Å²	54	45.4 Å²	45.4	45%	0.446	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	143	170	0	0	0	0	0	110.4	G225 A226 F251	G225-A238 CarbonylContact C-O 3.46Å; G225-A238 WeakPolarHBondContact CA-O 3.45Å; A226-A238 PolarHBondContact N-O 2.77Å; A226-A238 PolarHBondContact O-N 2.78Å; A238-F251 CarbonylContact C-O 3.54Å; A238-F251 VanDerWaalsContact CA-O 3.24Å; A238-F251 WeakPolarHBondContact CA-O 3.32Å
239	A	98.7	Very high	98.2	Very high	10 Å²	10	42.6 Å²	42.6	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.9	176	0	0	0	0	0	111.3	L159 L224 F251	L159-A239 HydrophobicContact CD1-CB 4.28Å; L159-A239 HydrophobicContact CG-CB 3.95Å; L224-A239 CarbonylContact O-C 3.58Å; L224-A239 VanDerWaalsContact O-CA 3.3Å; L224-A239 WeakPolarHBondContact O-CA 3.18Å; A239-F251 HydrophobicContact CB-CB 4.26Å; A239-F251 HydrophobicContact CB-CD1 4.1Å; A239-F251 PolarHBondContact N-O 2.87Å; A239-F251 PolarHBondContact O-N 2.87Å
240	F	98.6	Very high	98.2	Very high	71 Å²	71	43.8 Å²	43.8	31%	0.311	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.4	170.3	171.8	-99.7	0	0	0	108.6	S223 L224 Q242 D248 Q249 Y250	S223-F240 CarbonylContact C-O 3.45Å; S223-F240 WeakPolarHBondContact CA-O 3.42Å; S223-F240 WeakPolarHBondContact CB-O 3.27Å; S223-F240 PolarHBondContact OG-O 2.8Å; L224-F240 PolarHBondContact N-O 2.89Å; L224-F240 PolarHBondContact O-N 2.93Å; L224-F240 VanDerWaalsContact O-O 3.07Å; F240-Q242 HydrophobicContact CE1-CB 4.05Å; F240-Q242 HydrophobicContact CZ-CB 4Å; F240-D248 HydrophobicContact CE2-CB 3.99Å; F240-D248 HydrophobicContact CZ-CB 4.32Å; F240-Q249 WeakPolarHBondContact CA-O 3.24Å; F240-Q249 VanDerWaalsContact CD2-O 3.29Å; F240-Q249 WeakPolarHBondContact CD2-O 3.46Å; F240-Y250 AromaticContact CD2-CD1 3.8Å; F240-Y250 HydrophobicContact CD2-CD1 3.8Å; F240-Y250 AromaticContact CD2-CE1 3.64Å; F240-Y250 HydrophobicContact CD2-CE1 3.64Å; F240-Y250 HydrophobicContact CE2-CD1 4.31Å; F240-Y250 AromaticContact CE2-CE1 3.71Å; F240-Y250 HydrophobicContact CE2-CE1 3.71Å
241	G	98.5	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.9	175.2	0	0	0	0	0	111.5	H222 Q249 M328	H222-G241 CarbonylContact O-C 3.52Å; H222-G241 WeakPolarHBondContact O-CA 3.36Å; G241-Q249 PolarHBondContact N-O 2.99Å; G241-Q249 PolarHBondContact O-N 2.88Å; G241-M328 VanDerWaalsContact CA-CE 3.46Å
242	Q	98.3	Very high	98.3	Very high	40 Å²	40	38.5 Å²	38.5	19%	0.187	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	134.7	-173.6	164.6	-175	-11.5	0	0	110.3	L221 H222 F240 I247 D248 M328	L221-Q242 WeakPolarHBondContact CA-O 3.46Å; H222-Q242 PolarHBondContact N-O 3.31Å; H222-Q242 PolarHBondContact NE2-OE1 3Å; H222-Q242 PolarHBondContact O-N 2.87Å; F240-Q242 HydrophobicContact CE1-CB 4.05Å; F240-Q242 HydrophobicContact CZ-CB 4Å; Q242-I247 CarbonylContact C-O 3.46Å; Q242-I247 VanDerWaalsContact CA-O 3.27Å; Q242-I247 WeakPolarHBondContact CA-O 3.47Å; Q242-D248 WeakPolarHBondContact CG-OD1 3.23Å; Q242-M328 VanDerWaalsContact C-SD 3.5Å
243	A	98.5	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.3	153.8	0	0	0	0	0	108.7	V218 L221 G245 Y246 I247 M328	V218-A243 HydrophobicContact CG1-CB 3.82Å; L221-A243 HydrophobicContact CD2-CB 3.5Å; L221-A243 VanDerWaalsContact CD2-CB 3.5Å; A243-G245 PolarHBondContact O-N 2.86Å; A243-Y246 HydrophobicContact CB-CD1 4.29Å; A243-Y246 PolarHBondContact O-N 2.76Å; A243-Y246 VanDerWaalsContact O-N 3.12Å; A243-I247 HydrophobicContact CB-CB 4.27Å; A243-I247 PolarHBondContact N-O 2.95Å; A243-I247 PolarHBondContact O-N 3.02Å; A243-M328 HydrophobicContact CB-CB 4Å; A243-M328 WeakPolarHBondContact CB-O 3.31Å
244	E	98.1	Very high	98.5	Very high	62 Å²	62	33.5 Å²	33.5	29%	0.29	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	126.4	-179.4	-174.9	177.8	-149.8	0	0	112.1	V218 D219 Y220 Y246	V218-E244 HydrophobicContact CG1-CB 4.42Å; D219-E244 WeakPolarHBondContact CB-OE2 3.4Å; Y220-E244 HydrophobicContact CD1-CB 4.13Å; Y220-E244 HydrophobicContact CD1-CG 4.47Å; Y220-E244 VanDerWaalsContact CD1-OE2 3.22Å; Y220-E244 WeakPolarHBondContact CD1-OE2 3.45Å; Y220-E244 HydrophobicContact CD2-CB 4.45Å; Y220-E244 HydrophobicContact CE1-CB 3.88Å; Y220-E244 HydrophobicContact CE1-CG 3.84Å; Y220-E244 VanDerWaalsContact CE1-OE1 3.31Å; Y220-E244 WeakPolarHBondContact CE1-OE1 3.45Å; Y220-E244 WeakPolarHBondContact CE1-OE2 3.22Å; Y220-E244 HydrophobicContact CE2-CB 4.2Å; Y220-E244 HydrophobicContact CG-CB 4.39Å; Y220-E244 PolarHBondContact O-N 3.11Å; E244-Y246 PolarHBondContact O-N 3.25Å
245	G	97.1	Very high	98.5	Very high	50 Å²	50	31.7 Å²	31.7	52%	0.515	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-1.2	177.1	0	0	0	0	0	115.9	A243	A243-G245 PolarHBondContact O-N 2.86Å
246	Y	98.2	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-63.3	-168	-175.8	-142.9	0	0	0	114.2	Q211 N212 V218 A243 E244 D276 K277 V278 N284 L286	Q211-Y246 HydrophobicContact CB-CD1 4.47Å; Q211-Y246 HydrophobicContact CB-CD2 4.37Å; Q211-Y246 HydrophobicContact CB-CE1 4.15Å; Q211-Y246 HydrophobicContact CB-CE2 4.09Å; Q211-Y246 HydrophobicContact CG-CD1 4Å; Q211-Y246 HydrophobicContact CG-CD2 3.81Å; Q211-Y246 HydrophobicContact CG-CE1 4.19Å; Q211-Y246 HydrophobicContact CG-CE2 4.05Å; Q211-Y246 HydrophobicContact CG-CG 3.79Å; N212-Y246 PolarHBondContact N-OH 3.27Å; V218-Y246 HydrophobicContact CG2-CD1 4.09Å; V218-Y246 HydrophobicContact CG2-CG 4.34Å; A243-Y246 HydrophobicContact CB-CD1 4.29Å; A243-Y246 PolarHBondContact O-N 2.76Å; A243-Y246 VanDerWaalsContact O-N 3.12Å; E244-Y246 PolarHBondContact O-N 3.25Å; Y246-D276 CarbonylContact O-C 3.38Å; Y246-D276 WeakPolarHBondContact O-CA 3.34Å; Y246-K277 WeakPolarHBondContact O-CB 3.12Å; Y246-K277 PolarHBondContact O-N 3.08Å; Y246-V278 HydrophobicContact CD2-CG2 4.16Å; Y246-V278 HydrophobicContact CE2-CG2 4.38Å; Y246-N284 HydrophobicContact CE2-CB 4.26Å; Y246-L286 HydrophobicContact CE2-CD1 4.45Å; Y246-L286 WeakPolarHBondContact OH-CD1 3.42Å
247	I	98.1	Very high	98.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.3	-172.2	-70.4	-179.5	0	0	0	110.5	Q242 A243 Q249 T274 D276 L286 M328 P330	Q242-I247 CarbonylContact C-O 3.46Å; Q242-I247 VanDerWaalsContact CA-O 3.27Å; Q242-I247 WeakPolarHBondContact CA-O 3.47Å; A243-I247 HydrophobicContact CB-CB 4.27Å; A243-I247 PolarHBondContact N-O 2.95Å; A243-I247 PolarHBondContact O-N 3.02Å; I247-Q249 HydrophobicContact CG2-CG 3.85Å; I247-T274 HydrophobicContact CG2-CG2 3.52Å; I247-D276 HydrophobicContact CG1-CB 3.99Å; I247-L286 HydrophobicContact CD1-CD1 3.53Å; I247-L286 HydrophobicContact CG1-CD1 4.41Å; I247-M328 WeakPolarHBondContact CD1-O 2.95Å; I247-P330 HydrophobicContact CD1-CG 4.4Å
248	D	98.2	Very high	98.4	Very high	30 Å²	30	39 Å²	39	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.5	162.9	-67.4	-27.4	0	0	0	110.1	F240 Q242 Y250 T274 R275 K277	F240-D248 HydrophobicContact CE2-CB 3.99Å; F240-D248 HydrophobicContact CZ-CB 4.32Å; Q242-D248 WeakPolarHBondContact CG-OD1 3.23Å; D248-Y250 HydrophobicContact CB-CE2 4.45Å; D248-T274 WeakPolarHBondContact O-CA 3.23Å; D248-R275 PolarHBondContact N-O 2.53Å; D248-R275 PolarHBondContact O-N 2.94Å; D248-K277 WeakPolarHBondContact OD1-CE 3.31Å; D248-K277 IonicContact OD1-NZ 3.95Å; D248-K277 PolarHBondContact OD1-NZ 2.98Å; D248-K277 WeakPolarHBondContact OD2-CE 3.32Å; D248-K277 IonicContact OD2-NZ 3.75Å
249	Q	98.3	Very high	98.2	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.6	-179.8	-69	-166	-37.9	0	0	112.5	L159 F240 G241 I247 G273 T274 Q326 R327 M328	L159-Q249 HydrophobicContact CD1-CB 3.77Å; L159-Q249 WeakPolarHBondContact CD1-O 3.27Å; F240-Q249 WeakPolarHBondContact CA-O 3.24Å; F240-Q249 VanDerWaalsContact CD2-O 3.29Å; F240-Q249 WeakPolarHBondContact CD2-O 3.46Å; G241-Q249 PolarHBondContact N-O 2.99Å; G241-Q249 PolarHBondContact O-N 2.88Å; I247-Q249 HydrophobicContact CG2-CG 3.85Å; Q249-G273 CarbonylContact C-O 3.54Å; Q249-G273 VanDerWaalsContact CA-O 3.29Å; Q249-G273 WeakPolarHBondContact CA-O 3.47Å; Q249-T274 HydrophobicContact CG-CG2 4.33Å; Q249-T274 PolarHBondContact NE2-OG1 2.87Å; Q249-Q326 PolarHBondContact NE2-O 2.87Å; Q249-Q326 PolarHBondContact OE1-O 2.87Å; Q249-R327 PolarHBondContact NE2-O 2.8Å; Q249-R327 VanDerWaalsContact NE2-O 3.16Å; Q249-M328 HydrophobicContact CG-CG 4.11Å
250	Y	98.5	Very high	98	Very high	84 Å²	84	45.8 Å²	45.8	33%	0.329	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.2	-175.8	-46.4	-79.5	0	0	0	110	F240 D248 Y272 G273 R275	F240-Y250 AromaticContact CD2-CD1 3.8Å; F240-Y250 HydrophobicContact CD2-CD1 3.8Å; F240-Y250 AromaticContact CD2-CE1 3.64Å; F240-Y250 HydrophobicContact CD2-CE1 3.64Å; F240-Y250 HydrophobicContact CE2-CD1 4.31Å; F240-Y250 AromaticContact CE2-CE1 3.71Å; F240-Y250 HydrophobicContact CE2-CE1 3.71Å; D248-Y250 HydrophobicContact CB-CE2 4.45Å; Y250-Y272 WeakPolarHBondContact O-CA 3.28Å; Y250-G273 PolarHBondContact N-O 2.88Å; Y250-G273 PolarHBondContact O-N 3.35Å; Y250-R275 HydrophobicContact CE2-CB 4.46Å
251	F	98.6	Very high	97.7	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.4	173.6	167.2	-106.3	0	0	0	110.3	L159 E237 A238 A239 K253 F271 Y272 R338	L159-F251 HydrophobicContact CD1-CB 4.33Å; L159-F251 HydrophobicContact CD2-CB 3.62Å; L159-F251 HydrophobicContact CG-CB 3.97Å; E237-F251 HydrophobicContact CB-CE1 3.78Å; E237-F251 HydrophobicContact CB-CZ 4.46Å; A238-F251 CarbonylContact C-O 3.54Å; A238-F251 VanDerWaalsContact CA-O 3.24Å; A238-F251 WeakPolarHBondContact CA-O 3.32Å; A239-F251 HydrophobicContact CB-CB 4.26Å; A239-F251 HydrophobicContact CB-CD1 4.1Å; A239-F251 PolarHBondContact N-O 2.87Å; A239-F251 PolarHBondContact O-N 2.87Å; F251-K253 HydrophobicContact CE1-CB 4.05Å; F251-K253 HydrophobicContact CE2-CB 3.84Å; F251-K253 HydrophobicContact CZ-CB 3.34Å; F251-K253 HydrophobicContact CZ-CD 3.94Å; F251-K253 HydrophobicContact CZ-CG 4.31Å; F251-F271 WeakPolarHBondContact CA-O 3.28Å; F251-Y272 AromaticContact CD2-CD1 3.72Å; F251-Y272 HydrophobicContact CD2-CD1 3.72Å; F251-Y272 AromaticContact CD2-CE1 3.36Å; F251-Y272 HydrophobicContact CD2-CE1 3.36Å; F251-Y272 AromaticContact CD2-CZ 3.94Å; F251-Y272 HydrophobicContact CE2-CD1 4.33Å; F251-Y272 AromaticContact CE2-CE1 3.54Å; F251-Y272 HydrophobicContact CE2-CE1 3.54Å; F251-Y272 AromaticContact CE2-CZ 3.71Å; F251-R338 VanDerWaalsContact CE1-CZ 3.47Å; F251-R338 VanDerWaalsContact CE1-NH1 3.29Å
252	A	98.7	Very high	97.3	Very high	41 Å²	41	50.4 Å²	50.4	34%	0.339	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140	166.8	0	0	0	0	0	109.7	E237 Q270 F271	E237-A252 CarbonylContact O-C 3.57Å; E237-A252 WeakPolarHBondContact O-CA 3.07Å; A252-Q270 CarbonylContact O-C 3.03Å; A252-Q270 WeakPolarHBondContact O-CA 3.23Å; A252-F271 HydrophobicContact CB-CB 4.48Å; A252-F271 PolarHBondContact N-O 2.79Å; A252-F271 PolarHBondContact O-N 3.04Å
253	K	98.8	Very high	97.1	Very high	36 Å²	36	49.6 Å²	49.6	16%	0.157	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136	175.1	172.7	174.8	-175.9	-172.9	0	110.6	L236 E237 F251 Y269 Q270 D340	L236-K253 CarbonylContact C-O 3.58Å; L236-K253 WeakPolarHBondContact CA-O 3.22Å; E237-K253 HydrophobicContact CB-CB 4.29Å; E237-K253 PolarHBondContact N-O 2.91Å; E237-K253 PolarHBondContact O-N 2.68Å; F251-K253 HydrophobicContact CE1-CB 4.05Å; F251-K253 HydrophobicContact CE2-CB 3.84Å; F251-K253 HydrophobicContact CZ-CB 3.34Å; F251-K253 HydrophobicContact CZ-CD 3.94Å; F251-K253 HydrophobicContact CZ-CG 4.31Å; K253-Y269 VanDerWaalsContact CA-O 3.31Å; K253-Y269 WeakPolarHBondContact CA-O 3.28Å; K253-Q270 HydrophobicContact CB-CG 4.41Å; K253-Q270 HydrophobicContact CD-CG 4.07Å; K253-Q270 HydrophobicContact CG-CG 3.98Å; K253-D340 IonicContact NZ-OD2 2.68Å; K253-D340 PolarHBondContact NZ-OD2 3.12Å
254	A	98.9	Very high	96.9	Very high	29 Å²	29	52.3 Å²	52.3	24%	0.24	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123	168.1	0	0	0	0	0	107.7	F234 V235 L236 S268 Y269	F234-A254 HydrophobicContact CE2-CB 4.16Å; F234-A254 HydrophobicContact CZ-CB 4.5Å; V235-A254 WeakPolarHBondContact O-CA 3.25Å; L236-A254 HydrophobicContact CD2-CB 3.54Å; A254-S268 CarbonylContact O-C 3.58Å; A254-S268 WeakPolarHBondContact O-CA 3.12Å; A254-S268 WeakPolarHBondContact O-CB 3.46Å; A254-Y269 PolarHBondContact N-O 2.71Å; A254-Y269 PolarHBondContact O-N 3.34Å
255	S	98.8	Very high	96.9	Very high	29 Å²	29	50.6 Å²	50.6	20%	0.203	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.8	174.3	60.6	0	0	0	0	111	F234 V235 T267	F234-S255 WeakPolarHBondContact CA-O 3.18Å; F234-S255 WeakPolarHBondContact CD2-O 3.23Å; V235-S255 PolarHBondContact N-O 3.05Å; V235-S255 PolarHBondContact O-N 3.43Å; S255-T267 CarbonylContact C-O 3.49Å; S255-T267 WeakPolarHBondContact CA-O 3.34Å; S255-T267 WeakPolarHBondContact CB-O 3.37Å
256	Y	98.6	Very high	97	Very high	104 Å²	104	51.5 Å²	51.5	41%	0.408	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.7	177.3	-168.8	-126.2	0	0	0	110.5	N233 F234 F258 T267	N233-Y256 HydrophobicContact CB-CD2 4.4Å; N233-Y256 HydrophobicContact CB-CE2 4.21Å; N233-Y256 WeakPolarHBondContact O-CA 3.01Å; N233-Y256 WeakPolarHBondContact O-CD2 3.24Å; F234-Y256 HydrophobicContact CB-CD2 3.78Å; F234-Y256 HydrophobicContact CB-CE2 4.18Å; F234-Y256 HydrophobicContact CD2-CD2 4.14Å; F234-Y256 HydrophobicContact CG-CD2 4.41Å; Y256-F258 HydrophobicContact CD1-CB 4.32Å; Y256-F258 AromaticContact CD1-CD1 3.5Å; Y256-F258 HydrophobicContact CD1-CD1 3.5Å; Y256-F258 VanDerWaalsContact CD1-CD1 3.5Å; Y256-F258 HydrophobicContact CD1-CE1 4.22Å; Y256-F258 HydrophobicContact CD1-CG 4.28Å; Y256-F258 HydrophobicContact CE1-CB 3.77Å; Y256-F258 AromaticContact CE1-CD1 3.74Å; Y256-F258 HydrophobicContact CE1-CD1 3.74Å; Y256-F258 HydrophobicContact CE1-CG 4.07Å; Y256-T267 PolarHBondContact N-O 3.18Å; Y256-T267 PolarHBondContact O-N 3.04Å; Y256-T267 PolarHBondContact O-OG1 2.77Å
257	K	98.3	Very high	97	Very high	86 Å²	86	52.8 Å²	52.8	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.4	173.3	-178.1	-171.3	74.1	-174.3	0	109.9	N233 P264 L265 T266	N233-K257 HydrophobicContact CB-CB 4.04Å; N233-K257 WeakPolarHBondContact CB-O 3.5Å; N233-K257 PolarHBondContact O-N 2.89Å; N233-K257 WeakPolarHBondContact OD1-CE 3.39Å; N233-K257 PolarHBondContact OD1-NZ 2.92Å; K257-P264 HydrophobicContact CD-CB 3.98Å; K257-P264 HydrophobicContact CG-CB 3.98Å; K257-L265 WeakPolarHBondContact CA-O 3.25Å; K257-T266 HydrophobicContact CB-CG2 4.18Å; K257-T266 HydrophobicContact CD-CG2 3.96Å; K257-T266 HydrophobicContact CG-CG2 3.82Å
258	F	97.2	Very high	97	Very high	81 Å²	81	53.1 Å²	53.1	36%	0.355	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.9	177.2	62.7	-82.5	0	0	0	110.5	Y256 L265 T267	Y256-F258 HydrophobicContact CD1-CB 4.32Å; Y256-F258 AromaticContact CD1-CD1 3.5Å; Y256-F258 HydrophobicContact CD1-CD1 3.5Å; Y256-F258 VanDerWaalsContact CD1-CD1 3.5Å; Y256-F258 HydrophobicContact CD1-CE1 4.22Å; Y256-F258 HydrophobicContact CD1-CG 4.28Å; Y256-F258 HydrophobicContact CE1-CB 3.77Å; Y256-F258 AromaticContact CE1-CD1 3.74Å; Y256-F258 HydrophobicContact CE1-CD1 3.74Å; Y256-F258 HydrophobicContact CE1-CG 4.07Å; F258-L265 HydrophobicContact CE1-CD2 4.14Å; F258-L265 HydrophobicContact CE2-CD2 4.06Å; F258-L265 HydrophobicContact CZ-CD2 3.59Å; F258-L265 HydrophobicContact CZ-CG 4.47Å; F258-L265 PolarHBondContact N-O 2.95Å; F258-L265 VanDerWaalsContact N-O 3.1Å; F258-L265 PolarHBondContact O-N 2.79Å; F258-T267 HydrophobicContact CE1-CG2 3.98Å
259	D	95.3	Very high	97.1	Very high	121 Å²	121	56.2 Å²	56.2	65%	0.647	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.4	-177.2	-65.7	-29.1	0	0	0	112	S263 P264	D259-S263 WeakPolarHBondContact CA-O 3.27Å; D259-P264 WeakPolarHBondContact OD1-CA 3.43Å
260	I	94.6	Very high	97.1	Very high	86 Å²	86	56.2 Å²	56.2	44%	0.441	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.3	169.5	-168.5	169.4	0	0	0	109.7	G262 S263 L265 Y300	I260-G262 PolarHBondContact O-N 3.47Å; I260-G262 VanDerWaalsContact O-N 3.11Å; I260-S263 PolarHBondContact N-O 3.06Å; I260-S263 PolarHBondContact O-N 3.45Å; I260-S263 VanDerWaalsContact O-N 3.09Å; I260-S263 VanDerWaalsContact O-O 3.05Å; I260-L265 HydrophobicContact CG2-CB 3.81Å; I260-L265 HydrophobicContact CG2-CD2 4.33Å; I260-Y300 HydrophobicContact CG2-CD2 3.9Å; I260-Y300 HydrophobicContact CG2-CE2 3.45Å; I260-Y300 VanDerWaalsContact CG2-CE2 3.45Å; I260-Y300 WeakPolarHBondContact O-CE2 3.36Å; I260-Y300 PolarHBondContact O-OH 2.89Å
261	A	92.1	Very high	97.1	Very high	95 Å²	95	54.6 Å²	54.6	79%	0.785	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	34.9	-176.4	0	0	0	0	0	114.1
262	G	90	Very high	97.1	Very high	74 Å²	74	54.4 Å²	54.4	76%	0.763	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	15.9	177.9	0	0	0	0	0	115.2	I260	I260-G262 PolarHBondContact O-N 3.47Å; I260-G262 VanDerWaalsContact O-N 3.11Å
263	S	94.3	Very high	97.1	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.161	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.9	173.3	-62.9	0	0	0	0	111.2	D259 I260 L265 R301	D259-S263 WeakPolarHBondContact CA-O 3.27Å; I260-S263 PolarHBondContact N-O 3.06Å; I260-S263 PolarHBondContact O-N 3.45Å; I260-S263 VanDerWaalsContact O-N 3.09Å; I260-S263 VanDerWaalsContact O-O 3.05Å; S263-L265 PolarHBondContact O-N 3.01Å; S263-R301 VanDerWaalsContact CB-O 3.22Å; S263-R301 WeakPolarHBondContact CB-O 3.16Å; S263-R301 PolarHBondContact OG-O 3.18Å
264	P	94.9	Very high	97.1	Very high	57 Å²	57	50.9 Å²	50.9	37%	0.37	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.6	-177.9	27.1	-33.7	0	0	0	110.8	K257 D259	K257-P264 HydrophobicContact CD-CB 3.98Å; K257-P264 HydrophobicContact CG-CB 3.98Å; D259-P264 WeakPolarHBondContact OD1-CA 3.43Å
265	L	98.2	Very high	97	Very high	25 Å²	25	56 Å²	56	13%	0.131	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.7	164.4	-179.2	69.6	0	0	0	108.3	K257 F258 I260 S263 T267 F298 G299 Y300	K257-L265 WeakPolarHBondContact CA-O 3.25Å; F258-L265 HydrophobicContact CE1-CD2 4.14Å; F258-L265 HydrophobicContact CE2-CD2 4.06Å; F258-L265 HydrophobicContact CZ-CD2 3.59Å; F258-L265 HydrophobicContact CZ-CG 4.47Å; F258-L265 PolarHBondContact N-O 2.95Å; F258-L265 VanDerWaalsContact N-O 3.1Å; F258-L265 PolarHBondContact O-N 2.79Å; I260-L265 HydrophobicContact CG2-CB 3.81Å; I260-L265 HydrophobicContact CG2-CD2 4.33Å; S263-L265 PolarHBondContact O-N 3.01Å; L265-T267 HydrophobicContact CD2-CG2 3.96Å; L265-T267 HydrophobicContact CG-CG2 3.83Å; L265-F298 HydrophobicContact CD1-CB 4.35Å; L265-G299 WeakPolarHBondContact CA-O 3.13Å; L265-Y300 HydrophobicContact CB-CD2 4.23Å; L265-Y300 HydrophobicContact CD1-CD2 4.24Å
266	T	98.3	Very high	96.9	Very high	70 Å²	70	55 Å²	55	43%	0.429	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.5	171.4	53.8	0	0	0	0	109.4	K257 F298 G299	K257-T266 HydrophobicContact CB-CG2 4.18Å; K257-T266 HydrophobicContact CD-CG2 3.96Å; K257-T266 HydrophobicContact CG-CG2 3.82Å; T266-F298 CarbonylContact O-C 3.57Å; T266-F298 WeakPolarHBondContact O-CA 3Å; T266-G299 PolarHBondContact N-O 2.86Å; T266-G299 PolarHBondContact O-N 2.9Å; T266-G299 PolarHBondContact OG1-O 3.13Å
267	T	98.7	Very high	96.9	Very high	26 Å²	26	54.2 Å²	54.2	16%	0.16	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.7	177.8	72.2	0	0	0	0	111.7	S255 Y256 F258 L265 T297 F298	S255-T267 CarbonylContact C-O 3.49Å; S255-T267 WeakPolarHBondContact CA-O 3.34Å; S255-T267 WeakPolarHBondContact CB-O 3.37Å; Y256-T267 PolarHBondContact N-O 3.18Å; Y256-T267 PolarHBondContact O-N 3.04Å; Y256-T267 PolarHBondContact O-OG1 2.77Å; F258-T267 HydrophobicContact CE1-CG2 3.98Å; L265-T267 HydrophobicContact CD2-CG2 3.96Å; L265-T267 HydrophobicContact CG-CG2 3.83Å; T267-T297 CarbonylContact C-O 3.59Å; T267-T297 WeakPolarHBondContact CA-O 3.27Å; T267-F298 HydrophobicContact CG2-CD1 3.52Å; T267-F298 HydrophobicContact CG2-CE1 3.85Å
268	S	98.8	Very high	96.8	Very high	8 Å²	8	51.3 Å²	51.3	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148.5	166.5	76.2	0	0	0	0	112.8	A254 Q270 L296 T297	A254-S268 CarbonylContact O-C 3.58Å; A254-S268 WeakPolarHBondContact O-CA 3.12Å; A254-S268 WeakPolarHBondContact O-CB 3.46Å; S268-Q270 PolarHBondContact OG-NE2 2.73Å; S268-L296 CarbonylContact O-C 3.59Å; S268-L296 WeakPolarHBondContact O-CA 3.5Å; S268-T297 PolarHBondContact N-O 2.84Å; S268-T297 PolarHBondContact N-OG1 3.38Å; S268-T297 PolarHBondContact O-N 2.74Å; S268-T297 PolarHBondContact OG-OG1 2.77Å
269	Y	98.9	Very high	96.7	Very high	95 Å²	95	54.6 Å²	54.6	37%	0.373	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.9	160.1	169.6	-100.3	0	0	0	108.3	K253 A254 F271 Q294 A295 L296	K253-Y269 VanDerWaalsContact CA-O 3.31Å; K253-Y269 WeakPolarHBondContact CA-O 3.28Å; A254-Y269 PolarHBondContact N-O 2.71Å; A254-Y269 PolarHBondContact O-N 3.34Å; Y269-F271 HydrophobicContact CE1-CB 4.26Å; Y269-Q294 HydrophobicContact CE2-CB 4.4Å; Y269-Q294 HydrophobicContact CE2-CG 4.43Å; Y269-Q294 PolarHBondContact OH-OE1 2.82Å; Y269-A295 WeakPolarHBondContact CA-O 3.4Å; Y269-L296 HydrophobicContact CD2-CD2 3.95Å; Y269-L296 HydrophobicContact CD2-CG 4.45Å; Y269-L296 HydrophobicContact CG-CD2 4.44Å
270	Q	98.7	Very high	96.7	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138	-176.2	-47.2	175.2	12.5	0	0	109.2	A252 K253 S268 Y272 Q294 A295	A252-Q270 CarbonylContact O-C 3.03Å; A252-Q270 WeakPolarHBondContact O-CA 3.23Å; K253-Q270 HydrophobicContact CB-CG 4.41Å; K253-Q270 HydrophobicContact CD-CG 4.07Å; K253-Q270 HydrophobicContact CG-CG 3.98Å; S268-Q270 PolarHBondContact OG-NE2 2.73Å; Q270-Y272 HydrophobicContact CB-CD2 4.47Å; Q270-Y272 HydrophobicContact CB-CE2 3.65Å; Q270-Y272 PolarHBondContact OE1-OH 2.95Å; Q270-Q294 CarbonylContact O-C 3.57Å; Q270-Q294 WeakPolarHBondContact O-CA 3.2Å; Q270-A295 HydrophobicContact CB-CB 4.25Å; Q270-A295 PolarHBondContact N-O 2.81Å; Q270-A295 PolarHBondContact O-N 2.87Å
271	F	98.8	Very high	96.6	Very high	50 Å²	50	58.2 Å²	58.2	22%	0.219	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	173.7	175.9	-87.1	0	0	0	108.8	F251 A252 Y269 W292 Q294	F251-F271 WeakPolarHBondContact CA-O 3.28Å; A252-F271 HydrophobicContact CB-CB 4.48Å; A252-F271 PolarHBondContact N-O 2.79Å; A252-F271 PolarHBondContact O-N 3.04Å; Y269-F271 HydrophobicContact CE1-CB 4.26Å; F271-W292 HydrophobicContact CE2-CB 3.64Å; F271-W292 AromaticContact CE2-CG 3.96Å; F271-W292 HydrophobicContact CE2-CG 3.96Å; F271-W292 HydrophobicContact CZ-CB 3.77Å; F271-W292 HydrophobicContact CZ-CG 4.36Å; F271-Q294 HydrophobicContact CD2-CG 3.75Å; F271-Q294 HydrophobicContact CE2-CG 4.41Å
272	Y	98.8	Very high	96.7	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.1	173.8	-57.5	-88	0	0	0	107.2	Y250 F251 Q270 W292 L293 R338 L339 D340	Y250-Y272 WeakPolarHBondContact O-CA 3.28Å; F251-Y272 AromaticContact CD2-CD1 3.72Å; F251-Y272 HydrophobicContact CD2-CD1 3.72Å; F251-Y272 AromaticContact CD2-CE1 3.36Å; F251-Y272 HydrophobicContact CD2-CE1 3.36Å; F251-Y272 AromaticContact CD2-CZ 3.94Å; F251-Y272 HydrophobicContact CE2-CD1 4.33Å; F251-Y272 AromaticContact CE2-CE1 3.54Å; F251-Y272 HydrophobicContact CE2-CE1 3.54Å; F251-Y272 AromaticContact CE2-CZ 3.71Å; Q270-Y272 HydrophobicContact CB-CD2 4.47Å; Q270-Y272 HydrophobicContact CB-CE2 3.65Å; Q270-Y272 PolarHBondContact OE1-OH 2.95Å; Y272-W292 CarbonylContact O-C 3.53Å; Y272-W292 WeakPolarHBondContact O-CA 3.15Å; Y272-W292 WeakPolarHBondContact O-CB 3.43Å; Y272-L293 HydrophobicContact CD2-CD2 3.7Å; Y272-L293 HydrophobicContact CE2-CD2 4.2Å; Y272-L293 PolarHBondContact N-O 2.92Å; Y272-L293 PolarHBondContact O-N 3.29Å; Y272-R338 WeakPolarHBondContact CD1-O 3.48Å; Y272-R338 WeakPolarHBondContact CE1-O 3.19Å; Y272-L339 HydrophobicContact CD1-CD1 4.39Å; Y272-L339 HydrophobicContact CD2-CD1 3.96Å; Y272-L339 HydrophobicContact CE1-CD1 4.23Å; Y272-L339 HydrophobicContact CE2-CD1 3.76Å; Y272-L339 HydrophobicContact CG-CD1 4.27Å; Y272-D340 WeakPolarHBondContact OH-CB 3.33Å; Y272-D340 PolarHBondContact OH-N 3.23Å
273	G	98.5	Very high	96.9	Very high	1 Å²	1	55 Å²	55	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144	-178	0	0	0	0	0	111.1	Q249 Y250 A291	Q249-G273 CarbonylContact C-O 3.54Å; Q249-G273 VanDerWaalsContact CA-O 3.29Å; Q249-G273 WeakPolarHBondContact CA-O 3.47Å; Y250-G273 PolarHBondContact N-O 2.88Å; Y250-G273 PolarHBondContact O-N 3.35Å; G273-A291 CarbonylContact C-O 3.6Å; G273-A291 WeakPolarHBondContact CA-O 3.21Å
274	T	98.4	Very high	97	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.8	178	-64.8	0	0	0	0	109.4	I247 D248 Q249 Y287 A291	I247-T274 HydrophobicContact CG2-CG2 3.52Å; D248-T274 WeakPolarHBondContact O-CA 3.23Å; Q249-T274 HydrophobicContact CG-CG2 4.33Å; Q249-T274 PolarHBondContact NE2-OG1 2.87Å; T274-Y287 HydrophobicContact CG2-CD2 4.17Å; T274-Y287 HydrophobicContact CG2-CE2 3.69Å; T274-A291 PolarHBondContact N-O 2.83Å; T274-A291 PolarHBondContact O-N 2.83Å
275	R	97.9	Very high	97.1	Very high	135 Å²	135	51.9 Å²	51.9	51%	0.509	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120	173.7	-179.3	175.7	-175.3	177.3	2.1	108.8	D248 Y250	D248-R275 PolarHBondContact N-O 2.53Å; D248-R275 PolarHBondContact O-N 2.94Å; Y250-R275 HydrophobicContact CE2-CB 4.46Å
276	D	96.8	Very high	97.1	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.053	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	160.9	169.6	64.2	-61.1	0	0	0	111.7	Y246 I247 V278 L286 Y287	Y246-D276 CarbonylContact O-C 3.38Å; Y246-D276 WeakPolarHBondContact O-CA 3.34Å; I247-D276 HydrophobicContact CG1-CB 3.99Å; D276-V278 VanDerWaalsContact OD2-O 3.09Å; D276-L286 HydrophobicContact CB-CB 4.41Å; D276-L286 PolarHBondContact OD2-N 2.93Å; D276-Y287 WeakPolarHBondContact OD1-CB 3.19Å; D276-Y287 PolarHBondContact OD1-N 2.8Å; D276-Y287 VanDerWaalsContact OD1-N 3.09Å
277	K	97.1	Very high	97	Very high	86 Å²	86	47.8 Å²	47.8	37%	0.374	23%	0.226	S	C	.	.	S	Bend	trans	-102.9	-1.6	-176.9	-63.9	178	-177.6	166.9	0	112.1	Y246 D248	Y246-K277 WeakPolarHBondContact O-CB 3.12Å; Y246-K277 PolarHBondContact O-N 3.08Å; D248-K277 WeakPolarHBondContact OD1-CE 3.31Å; D248-K277 IonicContact OD1-NZ 3.95Å; D248-K277 PolarHBondContact OD1-NZ 2.98Å; D248-K277 WeakPolarHBondContact OD2-CE 3.32Å; D248-K277 IonicContact OD2-NZ 3.75Å
278	V	96.5	Very high	97	Very high	26 Å²	26	50 Å²	50	16%	0.158	24%	0.237	C	C	.	.			trans	-94.1	139.1	179.9	-173.8	0	0	0	0	107.9	Y246 D276 D280 N284 D285	Y246-V278 HydrophobicContact CD2-CG2 4.16Å; Y246-V278 HydrophobicContact CE2-CG2 4.38Å; D276-V278 VanDerWaalsContact OD2-O 3.09Å; V278-D280 WeakPolarHBondContact CG1-OD1 3.27Å; V278-N284 HydrophobicContact CG1-CB 4.17Å; V278-N284 HydrophobicContact CG2-CB 4.11Å; V278-D285 HydrophobicContact CG1-CB 4.05Å
279	D	94.3	Very high	96.9	Very high	149 Å²	149	51.4 Å²	51.4	80%	0.797	25%	0.252	S	S	*	.			trans	-151.8	55.1	-179.7	-176.2	16.7	0	0	0	108.1
280	D	95.2	Very high	96.8	Very high	106 Å²	106	49.4 Å²	49.4	57%	0.567	25%	0.25	S	S	*	.	S	Bend	trans	-127.5	4.8	-175.2	71.8	-4.9	0	0	0	113.1	V278 S282 D285	V278-D280 WeakPolarHBondContact CG1-OD1 3.27Å; D280-S282 PolarHBondContact O-N 2.68Å; D280-S282 WeakPolarHBondContact OD1-CB 3.06Å; D280-S282 PolarHBondContact OD1-N 2.77Å; D280-S282 PolarHBondContact OD1-OG 2.74Å; D280-S282 PolarHBondContact OD2-OG 2.66Å; D280-D285 PolarHBondContact N-OD2 2.88Å
281	R	93.3	Very high	96.8	Very high	178 Å²	178	49.3 Å²	49.3	67%	0.672	25%	0.25	S	C	*	.	S	Bend	trans	55.5	23.4	-173.9	-59.3	-174.3	168.8	-160.6	-6.6	114.7	D285 W390	R281-D285 VanDerWaalsContact CA-OD2 3.29Å; R281-D285 WeakPolarHBondContact CA-OD2 3.2Å; R281-D285 PolarHBondContact N-OD2 2.78Å; R281-W390 VanDerWaalsContact CA-CH2 3.5Å; R281-W390 HydrophobicContact CB-CH2 3.87Å; R281-W390 HydrophobicContact CB-CZ2 4.33Å; R281-W390 HydrophobicContact CB-CZ3 4.16Å; R281-W390 HydrophobicContact CG-CH2 4.27Å; R281-W390 HydrophobicContact CG-CZ2 4.24Å
282	S	95.2	Very high	96.8	Very high	34 Å²	34	48.8 Å²	48.8	24%	0.238	25%	0.246	C	C	.	.	S	Bend	trans	-75.9	176.5	166.6	72.8	0	0	0	0	110.6	D280 N284 D285 Q320	D280-S282 PolarHBondContact O-N 2.68Å; D280-S282 WeakPolarHBondContact OD1-CB 3.06Å; D280-S282 PolarHBondContact OD1-N 2.77Å; D280-S282 PolarHBondContact OD1-OG 2.74Å; D280-S282 PolarHBondContact OD2-OG 2.66Å; S282-N284 PolarHBondContact O-N 3.37Å; S282-N284 VanDerWaalsContact O-N 3.1Å; S282-N284 PolarHBondContact OG-N 2.95Å; S282-D285 WeakPolarHBondContact O-CB 3.46Å; S282-D285 PolarHBondContact O-N 2.95Å; S282-D285 VanDerWaalsContact O-N 3.08Å; S282-Q320 PolarHBondContact O-OE1 2.63Å
283	V	93.9	Very high	96.8	Very high	66 Å²	66	48.9 Å²	48.9	40%	0.4	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.5	174.6	-60.9	0	0	0	0	113.7	N212 D213	N212-V283 WeakPolarHBondContact CB-O 3.37Å; N212-V283 PolarHBondContact ND2-O 2.99Å; D213-V283 HydrophobicContact CB-CG2 3.67Å
284	N	96.3	Very high	96.8	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.064	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-12.7	177.9	-61.5	-35.5	0	0	0	112.8	Q211 N212 D213 Y246 V278 S282 L286	Q211-N284 HydrophobicContact CB-CB 4.48Å; Q211-N284 VanDerWaalsContact CB-OD1 3.3Å; Q211-N284 WeakPolarHBondContact CB-OD1 3.39Å; Q211-N284 PolarHBondContact OE1-ND2 3Å; N212-N284 PolarHBondContact N-OD1 2.92Å; D213-N284 PolarHBondContact N-OD1 3.46Å; D213-N284 PolarHBondContact OD2-ND2 2.83Å; Y246-N284 HydrophobicContact CE2-CB 4.26Å; V278-N284 HydrophobicContact CG1-CB 4.17Å; V278-N284 HydrophobicContact CG2-CB 4.11Å; S282-N284 PolarHBondContact O-N 3.37Å; S282-N284 VanDerWaalsContact O-N 3.1Å; S282-N284 PolarHBondContact OG-N 2.95Å; N284-L286 PolarHBondContact O-N 2.78Å
285	D	96.9	Very high	96.9	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	26%	0.257	C	S	.	.			trans	-79.2	100.6	170.9	-177	-13.4	0	0	0	108.2	V278 D280 R281 S282 Q320 W390	V278-D285 HydrophobicContact CG1-CB 4.05Å; D280-D285 PolarHBondContact N-OD2 2.88Å; R281-D285 VanDerWaalsContact CA-OD2 3.29Å; R281-D285 WeakPolarHBondContact CA-OD2 3.2Å; R281-D285 PolarHBondContact N-OD2 2.78Å; S282-D285 WeakPolarHBondContact O-CB 3.46Å; S282-D285 PolarHBondContact O-N 2.95Å; S282-D285 VanDerWaalsContact O-N 3.08Å; D285-Q320 WeakPolarHBondContact O-CB 3.09Å; D285-W390 HydrophobicContact CB-CH2 4.24Å; D285-W390 HydrophobicContact CB-CZ2 4.14Å
286	L	96.9	Very high	96.9	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.255	C	S	.	.			trans	-92.6	-48.1	-168	-60.4	179.7	0	0	0	111.9	N212 Y246 I247 D276 N284 G319 Q320 Q321 P330	N212-L286 HydrophobicContact CB-CD2 4.24Å; Y246-L286 HydrophobicContact CE2-CD1 4.45Å; Y246-L286 WeakPolarHBondContact OH-CD1 3.42Å; I247-L286 HydrophobicContact CD1-CD1 3.53Å; I247-L286 HydrophobicContact CG1-CD1 4.41Å; D276-L286 HydrophobicContact CB-CB 4.41Å; D276-L286 PolarHBondContact OD2-N 2.93Å; N284-L286 PolarHBondContact O-N 2.78Å; L286-G319 CarbonylContact O-C 3.47Å; L286-Q320 PolarHBondContact O-N 2.84Å; L286-Q320 VanDerWaalsContact O-N 3.07Å; L286-Q321 HydrophobicContact CB-CB 4.34Å; L286-Q321 PolarHBondContact O-N 2.95Å; L286-P330 HydrophobicContact CD1-CG 3.62Å
287	Y	97.7	Very high	97	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.031	26%	0.258	C	S	.	.			trans	-129.7	135.9	-168.1	-56.9	-66.1	0	0	0	112.7	T274 D276 G289 A291 A317 D318 Q321 Y323 L325	T274-Y287 HydrophobicContact CG2-CD2 4.17Å; T274-Y287 HydrophobicContact CG2-CE2 3.69Å; D276-Y287 WeakPolarHBondContact OD1-CB 3.19Å; D276-Y287 PolarHBondContact OD1-N 2.8Å; D276-Y287 VanDerWaalsContact OD1-N 3.09Å; Y287-G289 PolarHBondContact O-N 3.05Å; Y287-A291 HydrophobicContact CD1-CB 3.39Å; Y287-A291 HydrophobicContact CD2-CB 3.91Å; Y287-A291 HydrophobicContact CE1-CB 3.56Å; Y287-A291 HydrophobicContact CE2-CB 4.09Å; Y287-A291 HydrophobicContact CG-CB 3.55Å; Y287-A317 HydrophobicContact CD1-CB 4.36Å; Y287-A317 HydrophobicContact CE1-CB 4.01Å; Y287-D318 CarbonylContact C-O 3.54Å; Y287-D318 WeakPolarHBondContact CA-O 3.24Å; Y287-Q321 HydrophobicContact CD1-CB 4.42Å; Y287-Q321 HydrophobicContact CE1-CB 3.99Å; Y287-Q321 HydrophobicContact CE1-CG 4.33Å; Y287-Q321 VanDerWaalsContact CZ-OE1 3.28Å; Y287-Q321 PolarHBondContact OH-OE1 2.92Å; Y287-Q321 VanDerWaalsContact OH-OE1 3.09Å; Y287-Y323 VanDerWaalsContact CE1-O 3.3Å; Y287-Y323 WeakPolarHBondContact CE1-O 3.45Å; Y287-Y323 PolarHBondContact OH-O 2.92Å; Y287-L325 PolarHBondContact OH-N 3.16Å
288	D	96.9	Very high	97.1	Very high	74 Å²	74	48.9 Å²	48.9	40%	0.396	26%	0.256	S	S	.	.	S	Bend	trans	-76.7	76.1	169.1	-63	-30.5	0	0	0	109.5	D318 G319 T389 W390	D288-D318 HydrophobicContact CB-CB 4.04Å; D288-D318 PolarHBondContact N-O 3.16Å; D288-G319 PolarHBondContact OD2-N 3.5Å; D288-T389 PolarHBondContact OD2-OG1 3.41Å; D288-W390 PolarHBondContact OD1-NE1 3.03Å; D288-W390 VanDerWaalsContact OD1-NE1 3.13Å
289	G	96.8	Very high	97.2	Very high	36 Å²	36	48.4 Å²	48.4	37%	0.371	26%	0.257	S	S	.	.	S	Bend	trans	98.9	-134.1	179.3	0	0	0	0	0	113.6	Y287	Y287-G289 PolarHBondContact O-N 3.05Å
290	T	98.2	Very high	97.3	Very high	54 Å²	54	43.5 Å²	43.5	33%	0.331	23%	0.227	S	C	.	.			trans	-98.7	112.3	179.4	-56.9	0	0	0	0	110.1
291	A	98.7	Very high	97.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	147.8	166.6	0	0	0	0	0	110.1	G273 T274 Y287 K316 A317 F324	G273-A291 CarbonylContact C-O 3.6Å; G273-A291 WeakPolarHBondContact CA-O 3.21Å; T274-A291 PolarHBondContact N-O 2.83Å; T274-A291 PolarHBondContact O-N 2.83Å; Y287-A291 HydrophobicContact CD1-CB 3.39Å; Y287-A291 HydrophobicContact CD2-CB 3.91Å; Y287-A291 HydrophobicContact CE1-CB 3.56Å; Y287-A291 HydrophobicContact CE2-CB 4.09Å; Y287-A291 HydrophobicContact CG-CB 3.55Å; A291-K316 CarbonylContact C-O 3.53Å; A291-K316 WeakPolarHBondContact CA-O 3.42Å; A291-K316 WeakPolarHBondContact CB-O 3.47Å; A291-A317 HydrophobicContact CB-CB 4.34Å; A291-F324 HydrophobicContact CB-CD2 4.04Å
292	W	98.8	Very high	97.4	Very high	39 Å²	39	33.6 Å²	33.6	15%	0.148	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	154.9	178.5	53.2	-99.7	0	0	0	113.2	F271 Y272 Q294 W314 V315 K316	F271-W292 HydrophobicContact CE2-CB 3.64Å; F271-W292 AromaticContact CE2-CG 3.96Å; F271-W292 HydrophobicContact CE2-CG 3.96Å; F271-W292 HydrophobicContact CZ-CB 3.77Å; F271-W292 HydrophobicContact CZ-CG 4.36Å; Y272-W292 CarbonylContact O-C 3.53Å; Y272-W292 WeakPolarHBondContact O-CA 3.15Å; Y272-W292 WeakPolarHBondContact O-CB 3.43Å; W292-Q294 HydrophobicContact CE3-CB 4.23Å; W292-Q294 HydrophobicContact CE3-CG 3.68Å; W292-Q294 VanDerWaalsContact CH2-NE2 3.31Å; W292-Q294 HydrophobicContact CZ3-CB 4.16Å; W292-Q294 HydrophobicContact CZ3-CG 3.89Å; W292-W314 AromaticContact CH2-CD2 3.6Å; W292-W314 HydrophobicContact CH2-CD2 3.6Å; W292-W314 AromaticContact CH2-CE2 3.75Å; W292-W314 AromaticContact CH2-CE3 3.76Å; W292-W314 HydrophobicContact CH2-CE3 3.76Å; W292-W314 HydrophobicContact CH2-CG 4.07Å; W292-W314 HydrophobicContact CH2-CH2 4.24Å; W292-W314 HydrophobicContact CH2-CZ2 4.08Å; W292-W314 HydrophobicContact CH2-CZ3 4.08Å; W292-W314 HydrophobicContact CZ3-CB 4.27Å; W292-W314 AromaticContact CZ3-CD2 3.94Å; W292-W314 HydrophobicContact CZ3-CD2 3.94Å; W292-W314 HydrophobicContact CZ3-CE3 4.18Å; W292-W314 AromaticContact CZ3-CG 3.98Å; W292-W314 HydrophobicContact CZ3-CG 3.98Å; W292-W314 VanDerWaalsContact CZ3-O 3.24Å; W292-W314 WeakPolarHBondContact CZ3-O 3.37Å; W292-V315 WeakPolarHBondContact O-CA 3.31Å; W292-K316 HydrophobicContact CD2-CB 3.79Å; W292-K316 HydrophobicContact CE3-CB 4.32Å; W292-K316 HydrophobicContact CG-CB 4.24Å; W292-K316 HydrophobicContact CH2-CB 4.1Å; W292-K316 HydrophobicContact CZ2-CB 3.54Å; W292-K316 HydrophobicContact CZ2-CD 4.19Å; W292-K316 HydrophobicContact CZ2-CG 4.42Å; W292-K316 HydrophobicContact CZ3-CB 4.46Å; W292-K316 PolarHBondContact N-O 2.92Å; W292-K316 VanDerWaalsContact NE1-CD 3.33Å; W292-K316 PolarHBondContact O-N 2.85Å
293	L	98.8	Very high	97.2	Very high	6 Å²	6	36 Å²	36	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.2	163.3	-178.7	153.7	0	0	0	108.4	Y272 A295 T313 W314 V315 F324 L339	Y272-L293 HydrophobicContact CD2-CD2 3.7Å; Y272-L293 HydrophobicContact CE2-CD2 4.2Å; Y272-L293 PolarHBondContact N-O 2.92Å; Y272-L293 PolarHBondContact O-N 3.29Å; L293-A295 HydrophobicContact CD2-CB 4.16Å; L293-T313 HydrophobicContact CD2-CG2 4.21Å; L293-W314 WeakPolarHBondContact CA-O 3.37Å; L293-V315 HydrophobicContact CB-CG2 4.2Å; L293-V315 HydrophobicContact CD1-CG2 3.87Å; L293-V315 HydrophobicContact CG-CG2 3.98Å; L293-F324 HydrophobicContact CB-CD1 3.48Å; L293-F324 VanDerWaalsContact CB-CD1 3.48Å; L293-F324 HydrophobicContact CB-CE1 3.75Å; L293-F324 HydrophobicContact CB-CG 4.02Å; L293-F324 HydrophobicContact CB-CZ 4.48Å; L293-F324 HydrophobicContact CD1-CD1 4.25Å; L293-L339 HydrophobicContact CD2-CD1 4.23Å
294	Q	98.8	Very high	97.1	Very high	47 Å²	47	37.3 Å²	37.3	22%	0.22	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.6	170.8	-72.8	-179.4	78	0	0	109.3	Y269 Q270 F271 W292 T313 W314	Y269-Q294 HydrophobicContact CE2-CB 4.4Å; Y269-Q294 HydrophobicContact CE2-CG 4.43Å; Y269-Q294 PolarHBondContact OH-OE1 2.82Å; Q270-Q294 CarbonylContact O-C 3.57Å; Q270-Q294 WeakPolarHBondContact O-CA 3.2Å; F271-Q294 HydrophobicContact CD2-CG 3.75Å; F271-Q294 HydrophobicContact CE2-CG 4.41Å; W292-Q294 HydrophobicContact CE3-CB 4.23Å; W292-Q294 HydrophobicContact CE3-CG 3.68Å; W292-Q294 VanDerWaalsContact CH2-NE2 3.31Å; W292-Q294 HydrophobicContact CZ3-CB 4.16Å; W292-Q294 HydrophobicContact CZ3-CG 3.89Å; Q294-T313 CarbonylContact O-C 3.52Å; Q294-T313 WeakPolarHBondContact O-CA 3.14Å; Q294-W314 PolarHBondContact N-O 3.5Å; Q294-W314 PolarHBondContact O-N 3.46Å
295	A	98.9	Very high	97.1	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.7	178.1	0	0	0	0	0	112.7	Y269 Q270 L293 G312 T313 I341	Y269-A295 WeakPolarHBondContact CA-O 3.4Å; Q270-A295 HydrophobicContact CB-CB 4.25Å; Q270-A295 PolarHBondContact N-O 2.81Å; Q270-A295 PolarHBondContact O-N 2.87Å; L293-A295 HydrophobicContact CD2-CB 4.16Å; A295-G312 CarbonylContact C-O 3.45Å; A295-G312 VanDerWaalsContact CA-O 3.23Å; A295-G312 WeakPolarHBondContact CA-O 3.47Å; A295-T313 HydrophobicContact CB-CG2 4.11Å; A295-I341 HydrophobicContact CB-CD1 3.55Å; A295-I341 HydrophobicContact CB-CG1 3.62Å
296	L	98.9	Very high	97.1	Very high	86 Å²	86	38.9 Å²	38.9	45%	0.45	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.2	165.4	-74.2	170.2	0	0	0	108.7	S268 Y269 F298 E311 G312	S268-L296 CarbonylContact O-C 3.59Å; S268-L296 WeakPolarHBondContact O-CA 3.5Å; Y269-L296 HydrophobicContact CD2-CD2 3.95Å; Y269-L296 HydrophobicContact CD2-CG 4.45Å; Y269-L296 HydrophobicContact CG-CD2 4.44Å; L296-F298 HydrophobicContact CB-CE2 4.13Å; L296-E311 CarbonylContact O-C 3.45Å; L296-E311 VanDerWaalsContact O-CA 3.27Å; L296-E311 WeakPolarHBondContact O-CA 3.44Å; L296-G312 PolarHBondContact N-O 2.71Å; L296-G312 PolarHBondContact O-N 3.07Å
297	T	98.8	Very high	97.1	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.117	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.1	178.2	71.2	0	0	0	0	110.9	T267 S268 E311 I341	T267-T297 CarbonylContact C-O 3.59Å; T267-T297 WeakPolarHBondContact CA-O 3.27Å; S268-T297 PolarHBondContact N-O 2.84Å; S268-T297 PolarHBondContact N-OG1 3.38Å; S268-T297 PolarHBondContact O-N 2.74Å; S268-T297 PolarHBondContact OG-OG1 2.77Å; T297-E311 HydrophobicContact CG2-CB 4.48Å; T297-E311 HydrophobicContact CG2-CG 3.98Å; T297-I341 HydrophobicContact CG2-CD1 3.53Å
298	F	98.6	Very high	97.2	Very high	79 Å²	79	44.4 Å²	44.4	35%	0.346	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.9	173.5	-57.2	-91.4	0	0	0	108.6	L265 T266 T267 L296 R309 L310	L265-F298 HydrophobicContact CD1-CB 4.35Å; T266-F298 CarbonylContact O-C 3.57Å; T266-F298 WeakPolarHBondContact O-CA 3Å; T267-F298 HydrophobicContact CG2-CD1 3.52Å; T267-F298 HydrophobicContact CG2-CE1 3.85Å; L296-F298 HydrophobicContact CB-CE2 4.13Å; F298-R309 WeakPolarHBondContact O-CA 3.42Å; F298-L310 HydrophobicContact CB-CB 4.28Å; F298-L310 WeakPolarHBondContact CB-O 3.14Å; F298-L310 HydrophobicContact CD2-CD2 4.43Å; F298-L310 HydrophobicContact CD2-CG 4.38Å; F298-L310 WeakPolarHBondContact CD2-O 3.34Å; F298-L310 PolarHBondContact N-O 3.42Å; F298-L310 PolarHBondContact O-N 3.12Å
299	G	98.3	Very high	97.3	Very high	16 Å²	16	45.4 Å²	45.4	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.5	175.7	0	0	0	0	0	110.1	L265 T266 L308	L265-G299 WeakPolarHBondContact CA-O 3.13Å; T266-G299 PolarHBondContact N-O 2.86Å; T266-G299 PolarHBondContact O-N 2.9Å; T266-G299 PolarHBondContact OG1-O 3.13Å; G299-L308 WeakPolarHBondContact CA-O 3.35Å
300	Y	98	Very high	97.4	Very high	47 Å²	47	47.4 Å²	47.4	18%	0.184	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.1	-176.5	-175.3	-106.1	0	0	0	111.6	I260 L265 A302 L308	I260-Y300 HydrophobicContact CG2-CD2 3.9Å; I260-Y300 HydrophobicContact CG2-CE2 3.45Å; I260-Y300 VanDerWaalsContact CG2-CE2 3.45Å; I260-Y300 WeakPolarHBondContact O-CE2 3.36Å; I260-Y300 PolarHBondContact O-OH 2.89Å; L265-Y300 HydrophobicContact CB-CD2 4.23Å; L265-Y300 HydrophobicContact CD1-CD2 4.24Å; Y300-A302 HydrophobicContact CD1-CB 3.96Å; Y300-A302 HydrophobicContact CE1-CB 3.67Å; Y300-L308 HydrophobicContact CD1-CD1 4.27Å; Y300-L308 PolarHBondContact N-O 2.93Å; Y300-L308 PolarHBondContact O-N 3.02Å
301	R	95.5	Very high	97.4	Very high	50 Å²	50	45.7 Å²	45.7	19%	0.189	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	100.7	175	-178.5	75.8	175.3	153.4	-7.4	109.4	S263 D304 V305 V306 D307 D364	S263-R301 VanDerWaalsContact CB-O 3.22Å; S263-R301 WeakPolarHBondContact CB-O 3.16Å; S263-R301 PolarHBondContact OG-O 3.18Å; R301-D304 VanDerWaalsContact CZ-O 3.31Å; R301-D304 VanDerWaalsContact NE-C 3.28Å; R301-D304 IonicContact NE-OD1 3.69Å; R301-D304 PolarHBondContact NE-OD1 2.79Å; R301-D304 PolarHBondContact NH2-O 2.9Å; R301-D304 IonicContact NH2-OD1 3.19Å; R301-V305 VanDerWaalsContact CZ-CA 3.46Å; R301-V305 PolarHBondContact NH1-O 2.8Å; R301-V306 CarbonylContact C-O 3.51Å; R301-V306 WeakPolarHBondContact CA-O 3.21Å; R301-D307 WeakPolarHBondContact CD-OD1 3.38Å; R301-D307 IonicContact CZ-OD1 3.93Å; R301-D307 IonicContact NE-OD1 3.76Å; R301-D307 IonicContact NH1-OD1 3.98Å; R301-D307 PolarHBondContact NH1-OD1 2.9Å; R301-D307 IonicContact NH1-OD2 3.59Å; R301-D307 PolarHBondContact NH1-OD2 2.78Å; R301-D307 VanDerWaalsContact NH1-OD2 3.11Å; R301-D364 IonicContact NH2-OD2 3.54Å
302	A	94.6	Very high	97.4	Very high	26 Å²	26	46.7 Å²	46.7	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.9	177.3	0	0	0	0	0	111.6	Y300 D304 V305 V306 L308	Y300-A302 HydrophobicContact CD1-CB 3.96Å; Y300-A302 HydrophobicContact CE1-CB 3.67Å; A302-D304 PolarHBondContact O-N 2.88Å; A302-V305 PolarHBondContact O-N 3.27Å; A302-V305 VanDerWaalsContact O-N 3.11Å; A302-V306 HydrophobicContact CB-CB 4.24Å; A302-V306 PolarHBondContact N-O 2.67Å; A302-V306 PolarHBondContact O-N 3.42Å; A302-L308 HydrophobicContact CB-CD1 4.4Å
303	A	92	Very high	97.4	Very high	85 Å²	85	45.4 Å²	45.4	70%	0.702	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	23.7	176.9	0	0	0	0	0	115	V305	A303-V305 HydrophobicContact CB-CG2 4.11Å; A303-V305 PolarHBondContact O-N 2.8Å; A303-V305 VanDerWaalsContact O-N 3.14Å
304	D	90.9	Very high	97.4	Very high	93 Å²	93	50.9 Å²	50.9	50%	0.497	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	25.7	-174.2	-170.1	42	0	0	0	114.8	R301 A302 K366	R301-D304 VanDerWaalsContact CZ-O 3.31Å; R301-D304 VanDerWaalsContact NE-C 3.28Å; R301-D304 IonicContact NE-OD1 3.69Å; R301-D304 PolarHBondContact NE-OD1 2.79Å; R301-D304 PolarHBondContact NH2-O 2.9Å; R301-D304 IonicContact NH2-OD1 3.19Å; A302-D304 PolarHBondContact O-N 2.88Å; D304-K366 WeakPolarHBondContact O-CE 3.15Å; D304-K366 PolarHBondContact O-NZ 3.28Å; D304-K366 IonicContact OD1-NZ 2.77Å; D304-K366 IonicContact OD2-NZ 3.88Å; D304-K366 PolarHBondContact OD2-NZ 3.29Å
305	V	96	Very high	97.4	Very high	9 Å²	9	48.7 Å²	48.7	6%	0.055	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-22	176.9	-75.8	0	0	0	0	114.6	R301 A302 A303 Y363 D364 K366	R301-V305 VanDerWaalsContact CZ-CA 3.46Å; R301-V305 PolarHBondContact NH1-O 2.8Å; A302-V305 PolarHBondContact O-N 3.27Å; A302-V305 VanDerWaalsContact O-N 3.11Å; A303-V305 HydrophobicContact CB-CG2 4.11Å; A303-V305 PolarHBondContact O-N 2.8Å; A303-V305 VanDerWaalsContact O-N 3.14Å; V305-Y363 HydrophobicContact CB-CD2 4.11Å; V305-Y363 HydrophobicContact CB-CE2 3.7Å; V305-Y363 HydrophobicContact CG2-CD2 4.29Å; V305-Y363 HydrophobicContact CG2-CE2 3.64Å; V305-Y363 WeakPolarHBondContact O-CA 3.37Å; V305-D364 PolarHBondContact O-N 2.66Å; V305-K366 HydrophobicContact CG1-CD 4.38Å; V305-K366 HydrophobicContact CG1-CG 4.09Å
306	V	97.6	Very high	97.4	Very high	38 Å²	38	52 Å²	52	23%	0.23	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.4	177.2	-170.8	0	0	0	0	109.9	R301 A302 L308 A361 M362 Y363	R301-V306 CarbonylContact C-O 3.51Å; R301-V306 WeakPolarHBondContact CA-O 3.21Å; A302-V306 HydrophobicContact CB-CB 4.24Å; A302-V306 PolarHBondContact N-O 2.67Å; A302-V306 PolarHBondContact O-N 3.42Å; V306-L308 HydrophobicContact CG1-CD2 3.55Å; V306-L308 HydrophobicContact CG1-CG 3.92Å; V306-A361 HydrophobicContact CG1-CB 4.47Å; V306-M362 CarbonylContact C-O 3.54Å; V306-M362 WeakPolarHBondContact CA-O 3.19Å; V306-Y363 HydrophobicContact CG2-CD2 3.68Å; V306-Y363 HydrophobicContact CG2-CE2 4.19Å
307	D	97.5	Very high	97.4	Very high	75 Å²	75	47.9 Å²	47.9	40%	0.401	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117	166.9	-59.4	-47.3	0	0	0	108.9	R301 A361 M362	R301-D307 WeakPolarHBondContact CD-OD1 3.38Å; R301-D307 IonicContact CZ-OD1 3.93Å; R301-D307 IonicContact NE-OD1 3.76Å; R301-D307 IonicContact NH1-OD1 3.98Å; R301-D307 PolarHBondContact NH1-OD1 2.9Å; R301-D307 IonicContact NH1-OD2 3.59Å; R301-D307 PolarHBondContact NH1-OD2 2.78Å; R301-D307 VanDerWaalsContact NH1-OD2 3.11Å; D307-A361 CarbonylContact O-C 3.51Å; D307-A361 VanDerWaalsContact O-CA 3.27Å; D307-A361 WeakPolarHBondContact O-CA 3.23Å; D307-M362 HydrophobicContact CB-CB 4.31Å; D307-M362 PolarHBondContact N-O 2.89Å; D307-M362 PolarHBondContact O-N 2.91Å
308	L	98.4	Very high	97.3	Very high	50 Å²	50	49.4 Å²	49.4	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.2	177.1	-61.6	177.9	0	0	0	109.8	G299 Y300 A302 V306 F359 G360 A361	G299-L308 WeakPolarHBondContact CA-O 3.35Å; Y300-L308 HydrophobicContact CD1-CD1 4.27Å; Y300-L308 PolarHBondContact N-O 2.93Å; Y300-L308 PolarHBondContact O-N 3.02Å; A302-L308 HydrophobicContact CB-CD1 4.4Å; V306-L308 HydrophobicContact CG1-CD2 3.55Å; V306-L308 HydrophobicContact CG1-CG 3.92Å; L308-F359 HydrophobicContact CD2-CZ 4.29Å; L308-G360 WeakPolarHBondContact CA-O 3.5Å; L308-A361 HydrophobicContact CD2-CB 3.7Å
309	R	98.5	Very high	97.3	Very high	95 Å²	95	45.7 Å²	45.7	36%	0.358	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.2	172.4	-75.1	174.8	66.3	-163.7	1.7	109.2	F298 E311 W342 F358 F359 G360	F298-R309 WeakPolarHBondContact O-CA 3.42Å; R309-E311 IonicContact CZ-OE1 3.11Å; R309-E311 IonicContact NE-OE1 3.44Å; R309-E311 PolarHBondContact NE-OE1 2.85Å; R309-E311 VanDerWaalsContact NH2-CD 3.27Å; R309-E311 IonicContact NH2-OE1 3.11Å; R309-E311 PolarHBondContact NH2-OE1 2.85Å; R309-E311 IonicContact NH2-OE2 2.9Å; R309-E311 PolarHBondContact NH2-OE2 3.09Å; R309-E311 VanDerWaalsContact NH2-OE2 3.12Å; R309-W342 PolarHBondContact NH2-O 3.19Å; R309-F358 HydrophobicContact CB-CD1 4.36Å; R309-F358 HydrophobicContact CB-CE1 3.72Å; R309-F359 WeakPolarHBondContact O-CA 3.44Å; R309-G360 PolarHBondContact N-O 2.9Å; R309-G360 PolarHBondContact O-N 2.94Å
310	L	98.8	Very high	97.1	Very high	79 Å²	79	46.5 Å²	46.5	41%	0.414	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.9	167.6	172.7	66	0	0	0	107	F298 V357 F358	F298-L310 HydrophobicContact CB-CB 4.28Å; F298-L310 WeakPolarHBondContact CB-O 3.14Å; F298-L310 HydrophobicContact CD2-CD2 4.43Å; F298-L310 HydrophobicContact CD2-CG 4.38Å; F298-L310 WeakPolarHBondContact CD2-O 3.34Å; F298-L310 PolarHBondContact N-O 3.42Å; F298-L310 PolarHBondContact O-N 3.12Å; L310-V357 HydrophobicContact CD1-CG1 3.9Å; L310-F358 WeakPolarHBondContact CA-O 3.42Å
311	E	98.8	Very high	97.1	Very high	17 Å²	17	45 Å²	45	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.1	-176.5	-58.6	178.6	-168.9	0	0	109	L296 T297 R309 W343 V357 F358	L296-E311 CarbonylContact O-C 3.45Å; L296-E311 VanDerWaalsContact O-CA 3.27Å; L296-E311 WeakPolarHBondContact O-CA 3.44Å; T297-E311 HydrophobicContact CG2-CB 4.48Å; T297-E311 HydrophobicContact CG2-CG 3.98Å; R309-E311 IonicContact CZ-OE1 3.11Å; R309-E311 IonicContact NE-OE1 3.44Å; R309-E311 PolarHBondContact NE-OE1 2.85Å; R309-E311 VanDerWaalsContact NH2-CD 3.27Å; R309-E311 IonicContact NH2-OE1 3.11Å; R309-E311 PolarHBondContact NH2-OE1 2.85Å; R309-E311 IonicContact NH2-OE2 2.9Å; R309-E311 PolarHBondContact NH2-OE2 3.09Å; R309-E311 VanDerWaalsContact NH2-OE2 3.12Å; E311-W343 HydrophobicContact CB-CZ2 4.16Å; E311-W343 PolarHBondContact OE2-NE1 2.8Å; E311-V357 CarbonylContact O-C 3.57Å; E311-V357 WeakPolarHBondContact O-CA 3.49Å; E311-F358 HydrophobicContact CB-CB 4.34Å; E311-F358 HydrophobicContact CB-CD1 4.38Å; E311-F358 HydrophobicContact CG-CD1 4.44Å; E311-F358 PolarHBondContact N-O 3.16Å; E311-F358 PolarHBondContact O-N 2.91Å
312	G	98.9	Very high	97.1	Very high	23 Å²	23	42.9 Å²	42.9	24%	0.237	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.6	176.3	0	0	0	0	0	110.9	A295 L296 A356	A295-G312 CarbonylContact C-O 3.45Å; A295-G312 VanDerWaalsContact CA-O 3.23Å; A295-G312 WeakPolarHBondContact CA-O 3.47Å; L296-G312 PolarHBondContact N-O 2.71Å; L296-G312 PolarHBondContact O-N 3.07Å; G312-A356 CarbonylContact C-O 3.54Å; G312-A356 WeakPolarHBondContact CA-O 3.47Å
313	T	98.9	Very high	97.3	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.8	176.4	58.1	0	0	0	0	110.9	L293 Q294 A295 I341 W343 K355 A356	L293-T313 HydrophobicContact CD2-CG2 4.21Å; Q294-T313 CarbonylContact O-C 3.52Å; Q294-T313 WeakPolarHBondContact O-CA 3.14Å; A295-T313 HydrophobicContact CB-CG2 4.11Å; T313-I341 HydrophobicContact CG2-CG1 4.47Å; T313-I341 HydrophobicContact CG2-CG2 3.95Å; T313-W343 HydrophobicContact CG2-CH2 3.88Å; T313-W343 HydrophobicContact CG2-CZ2 3.85Å; T313-K355 WeakPolarHBondContact O-CA 3.32Å; T313-A356 PolarHBondContact N-O 2.99Å; T313-A356 PolarHBondContact O-N 2.85Å
314	W	98.9	Very high	97.6	Very high	122 Å²	122	39.6 Å²	39.6	46%	0.462	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.3	168.8	-178.3	21.6	0	0	0	109.1	W292 L293 Q294 E354 K355	W292-W314 AromaticContact CH2-CD2 3.6Å; W292-W314 HydrophobicContact CH2-CD2 3.6Å; W292-W314 AromaticContact CH2-CE2 3.75Å; W292-W314 AromaticContact CH2-CE3 3.76Å; W292-W314 HydrophobicContact CH2-CE3 3.76Å; W292-W314 HydrophobicContact CH2-CG 4.07Å; W292-W314 HydrophobicContact CH2-CH2 4.24Å; W292-W314 HydrophobicContact CH2-CZ2 4.08Å; W292-W314 HydrophobicContact CH2-CZ3 4.08Å; W292-W314 HydrophobicContact CZ3-CB 4.27Å; W292-W314 AromaticContact CZ3-CD2 3.94Å; W292-W314 HydrophobicContact CZ3-CD2 3.94Å; W292-W314 HydrophobicContact CZ3-CE3 4.18Å; W292-W314 AromaticContact CZ3-CG 3.98Å; W292-W314 HydrophobicContact CZ3-CG 3.98Å; W292-W314 VanDerWaalsContact CZ3-O 3.24Å; W292-W314 WeakPolarHBondContact CZ3-O 3.37Å; L293-W314 WeakPolarHBondContact CA-O 3.37Å; Q294-W314 PolarHBondContact N-O 3.5Å; Q294-W314 PolarHBondContact O-N 3.46Å; W314-E354 WeakPolarHBondContact CA-O 3.37Å; W314-K355 HydrophobicContact CB-CG 4.34Å; W314-K355 VanDerWaalsContact CD1-CG 3.48Å; W314-K355 HydrophobicContact CG-CG 3.94Å
315	V	98.9	Very high	97.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.4	-175.3	179.8	0	0	0	0	112.3	W292 L293 A317 F324 N350 A351 G353 E354	W292-V315 WeakPolarHBondContact O-CA 3.31Å; L293-V315 HydrophobicContact CB-CG2 4.2Å; L293-V315 HydrophobicContact CD1-CG2 3.87Å; L293-V315 HydrophobicContact CG-CG2 3.98Å; V315-A317 HydrophobicContact CG1-CB 4.06Å; V315-F324 HydrophobicContact CG1-CB 3.7Å; V315-N350 WeakPolarHBondContact CG1-O 3.4Å; V315-A351 WeakPolarHBondContact CB-O 3.32Å; V315-A351 WeakPolarHBondContact CG1-O 3.3Å; V315-G353 CarbonylContact O-C 3.52Å; V315-G353 WeakPolarHBondContact O-CA 3.22Å; V315-G353 PolarHBondContact O-N 3.46Å; V315-E354 PolarHBondContact N-O 3.48Å
316	K	98.8	Very high	97.9	Very high	72 Å²	72	36.1 Å²	36.1	31%	0.313	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123	160.7	-175	-164.5	175.7	-160.7	0	108.1	A291 W292 D318	A291-K316 CarbonylContact C-O 3.53Å; A291-K316 WeakPolarHBondContact CA-O 3.42Å; A291-K316 WeakPolarHBondContact CB-O 3.47Å; W292-K316 HydrophobicContact CD2-CB 3.79Å; W292-K316 HydrophobicContact CE3-CB 4.32Å; W292-K316 HydrophobicContact CG-CB 4.24Å; W292-K316 HydrophobicContact CH2-CB 4.1Å; W292-K316 HydrophobicContact CZ2-CB 3.54Å; W292-K316 HydrophobicContact CZ2-CD 4.19Å; W292-K316 HydrophobicContact CZ2-CG 4.42Å; W292-K316 HydrophobicContact CZ3-CB 4.46Å; W292-K316 PolarHBondContact N-O 2.92Å; W292-K316 VanDerWaalsContact NE1-CD 3.33Å; W292-K316 PolarHBondContact O-N 2.85Å; K316-D318 WeakPolarHBondContact CE-OD2 3.49Å; K316-D318 IonicContact NZ-OD2 3.04Å
317	A	98.5	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.			trans	-150.3	48.9	-177.8	0	0	0	0	0	110.3	Y287 A291 V315 G322 Y323 F324 N352	Y287-A317 HydrophobicContact CD1-CB 4.36Å; Y287-A317 HydrophobicContact CE1-CB 4.01Å; A291-A317 HydrophobicContact CB-CB 4.34Å; V315-A317 HydrophobicContact CG1-CB 4.06Å; A317-G322 WeakPolarHBondContact O-CA 3.43Å; A317-Y323 VanDerWaalsContact CB-C 3.43Å; A317-F324 HydrophobicContact CB-CB 4.34Å; A317-N352 VanDerWaalsContact C-CG 3.49Å; A317-N352 HydrophobicContact CB-CB 4.17Å; A317-N352 PolarHBondContact N-OD1 3.06Å
318	D	97.7	Very high	97.8	Very high	51 Å²	51	33 Å²	33	27%	0.273	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	140.8	172	-60	-60.7	0	0	0	109.5	Y287 D288 K316 N352 T389	Y287-D318 CarbonylContact C-O 3.54Å; Y287-D318 WeakPolarHBondContact CA-O 3.24Å; D288-D318 HydrophobicContact CB-CB 4.04Å; D288-D318 PolarHBondContact N-O 3.16Å; K316-D318 WeakPolarHBondContact CE-OD2 3.49Å; K316-D318 IonicContact NZ-OD2 3.04Å; D318-N352 PolarHBondContact N-OD1 3.34Å; D318-N352 PolarHBondContact OD1-ND2 2.99Å; D318-T389 HydrophobicContact CB-CG2 3.87Å
319	G	97	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	132.4	-170.8	-178.1	0	0	0	0	0	113.3	L286 D288 Q321 A388 T389	L286-G319 CarbonylContact O-C 3.47Å; D288-G319 PolarHBondContact OD2-N 3.5Å; G319-Q321 VanDerWaalsContact C-N 3.34Å; G319-A388 WeakPolarHBondContact O-CA 3.35Å; G319-T389 VanDerWaalsContact CA-OG1 3.22Å; G319-T389 WeakPolarHBondContact CA-OG1 3.19Å; G319-T389 PolarHBondContact N-OG1 2.85Å; G319-T389 PolarHBondContact O-N 3.05Å; G319-T389 PolarHBondContact O-OG1 2.91Å
320	Q	95.9	Very high	97.4	Very high	34 Å²	34	26.5 Å²	26.5	16%	0.159	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.9	178.5	-160.6	-169.6	-87.4	0	0	112.6	S282 D285 L286 A388 W390 S392	S282-Q320 PolarHBondContact O-OE1 2.63Å; D285-Q320 WeakPolarHBondContact O-CB 3.09Å; L286-Q320 PolarHBondContact O-N 2.84Å; L286-Q320 VanDerWaalsContact O-N 3.07Å; Q320-A388 WeakPolarHBondContact O-CB 3.33Å; Q320-W390 WeakPolarHBondContact CA-O 3.33Å; Q320-W390 HydrophobicContact CB-CD2 4.16Å; Q320-W390 HydrophobicContact CB-CE3 4.18Å; Q320-W390 HydrophobicContact CB-CH2 3.59Å; Q320-W390 HydrophobicContact CB-CZ2 3.59Å; Q320-W390 HydrophobicContact CB-CZ3 3.91Å; Q320-W390 HydrophobicContact CG-CD2 4.43Å; Q320-W390 HydrophobicContact CG-CE3 3.99Å; Q320-W390 HydrophobicContact CG-CH2 3.79Å; Q320-W390 HydrophobicContact CG-CZ2 4.28Å; Q320-W390 HydrophobicContact CG-CZ3 3.65Å; Q320-S392 PolarHBondContact OE1-OG 2.93Å
321	Q	96.2	Very high	97.1	Very high	16 Å²	16	23.1 Å²	23.1	8%	0.075	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-44.2	-177	-173	161.9	2.5	0	0	110.6	L286 Y287 G319 Y323	L286-Q321 HydrophobicContact CB-CB 4.34Å; L286-Q321 PolarHBondContact O-N 2.95Å; Y287-Q321 HydrophobicContact CD1-CB 4.42Å; Y287-Q321 HydrophobicContact CE1-CB 3.99Å; Y287-Q321 HydrophobicContact CE1-CG 4.33Å; Y287-Q321 VanDerWaalsContact CZ-OE1 3.28Å; Y287-Q321 PolarHBondContact OH-OE1 2.92Å; Y287-Q321 VanDerWaalsContact OH-OE1 3.09Å; G319-Q321 VanDerWaalsContact C-N 3.34Å; Q321-Y323 HydrophobicContact CG-CD1 3.91Å; Q321-Y323 HydrophobicContact CG-CD2 4.23Å; Q321-Y323 HydrophobicContact CG-CE1 3.56Å; Q321-Y323 HydrophobicContact CG-CE2 3.95Å; Q321-Y323 HydrophobicContact CG-CG 4.21Å; Q321-Y323 PolarHBondContact NE2-OH 2.99Å; Q321-Y323 WeakPolarHBondContact O-CD1 3.44Å; Q321-Y323 WeakPolarHBondContact O-CE1 3.38Å; Q321-Y323 PolarHBondContact O-N 2.94Å
322	G	97.1	Very high	96.8	Very high	4 Å²	4	24.8 Å²	24.8	4%	0.041	12%	0.116	C	C	.	.			trans	73.5	3.7	174.3	0	0	0	0	0	115.6	A317 N352	A317-G322 WeakPolarHBondContact O-CA 3.43Å; G322-N352 WeakPolarHBondContact O-CB 3.23Å; G322-N352 PolarHBondContact O-N 3.32Å
323	Y	98.1	Very high	96.7	Very high	39 Å²	39	23.8 Å²	23.8	15%	0.153	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-150.7	155.6	175.8	60	-89.3	0	0	0	110	Y287 A317 Q321 L325 N350 G448 N449	Y287-Y323 VanDerWaalsContact CE1-O 3.3Å; Y287-Y323 WeakPolarHBondContact CE1-O 3.45Å; Y287-Y323 PolarHBondContact OH-O 2.92Å; A317-Y323 VanDerWaalsContact CB-C 3.43Å; Q321-Y323 HydrophobicContact CG-CD1 3.91Å; Q321-Y323 HydrophobicContact CG-CD2 4.23Å; Q321-Y323 HydrophobicContact CG-CE1 3.56Å; Q321-Y323 HydrophobicContact CG-CE2 3.95Å; Q321-Y323 HydrophobicContact CG-CG 4.21Å; Q321-Y323 PolarHBondContact NE2-OH 2.99Å; Q321-Y323 WeakPolarHBondContact O-CD1 3.44Å; Q321-Y323 WeakPolarHBondContact O-CE1 3.38Å; Q321-Y323 PolarHBondContact O-N 2.94Å; Y323-L325 HydrophobicContact CD2-CD1 4.44Å; Y323-L325 HydrophobicContact CD2-CD2 4.39Å; Y323-L325 HydrophobicContact CD2-CG 3.91Å; Y323-L325 HydrophobicContact CE2-CD1 3.64Å; Y323-L325 HydrophobicContact CE2-CD2 4.25Å; Y323-L325 HydrophobicContact CE2-CG 3.61Å; Y323-N350 CarbonylContact C-O 3.59Å; Y323-N350 WeakPolarHBondContact CA-O 3.19Å; Y323-N350 VanDerWaalsContact CB-O 3.23Å; Y323-N350 WeakPolarHBondContact CB-O 3.3Å; Y323-G448 VanDerWaalsContact CE1-C 3.48Å; Y323-N449 HydrophobicContact CD1-CB 3.52Å; Y323-N449 HydrophobicContact CD2-CB 3.47Å; Y323-N449 VanDerWaalsContact CD2-CB 3.47Å; Y323-N449 HydrophobicContact CE1-CB 3.78Å; Y323-N449 HydrophobicContact CE2-CB 3.69Å; Y323-N449 HydrophobicContact CG-CB 3.38Å
324	F	98.3	Very high	96.5	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.013	10%	0.102	C	C	.	.			trans	-92.1	131.2	-178.2	179.7	-94	0	0	0	112.2	A291 L293 V315 A317 Q326 N350	A291-F324 HydrophobicContact CB-CD2 4.04Å; L293-F324 HydrophobicContact CB-CD1 3.48Å; L293-F324 VanDerWaalsContact CB-CD1 3.48Å; L293-F324 HydrophobicContact CB-CE1 3.75Å; L293-F324 HydrophobicContact CB-CG 4.02Å; L293-F324 HydrophobicContact CB-CZ 4.48Å; L293-F324 HydrophobicContact CD1-CD1 4.25Å; V315-F324 HydrophobicContact CG1-CB 3.7Å; A317-F324 HydrophobicContact CB-CB 4.34Å; F324-Q326 HydrophobicContact CE1-CB 4.44Å; F324-N350 PolarHBondContact N-O 2.86Å; F324-N350 PolarHBondContact O-ND2 3.07Å
325	L	96.7	Very high	96.4	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.037	8%	0.08	C	C	.	.			trans	-123.3	140	165.9	-72.1	-178.7	0	0	0	111.6	Y287 Y323 R327 P330	Y287-L325 PolarHBondContact OH-N 3.16Å; Y323-L325 HydrophobicContact CD2-CD1 4.44Å; Y323-L325 HydrophobicContact CD2-CD2 4.39Å; Y323-L325 HydrophobicContact CD2-CG 3.91Å; Y323-L325 HydrophobicContact CE2-CD1 3.64Å; Y323-L325 HydrophobicContact CE2-CD2 4.25Å; Y323-L325 HydrophobicContact CE2-CG 3.61Å; L325-R327 HydrophobicContact CB-CG 4.37Å; L325-R327 PolarHBondContact O-N 2.9Å; L325-P330 HydrophobicContact CB-CB 4.45Å; L325-P330 HydrophobicContact CD1-CB 3.84Å
326	Q	95.6	Very high	96.3	Very high	23 Å²	23	18.6 Å²	18.6	11%	0.107	9%	0.086	C	C	.	.			trans	-74.3	6.8	172.5	73.5	-75.6	-2.3	0	0	113.9	Q249 F324 N336 G337 L339	Q249-Q326 PolarHBondContact NE2-O 2.87Å; Q249-Q326 PolarHBondContact OE1-O 2.87Å; F324-Q326 HydrophobicContact CE1-CB 4.44Å; Q326-N336 PolarHBondContact NE2-OD1 3.01Å; Q326-G337 VanDerWaalsContact CG-C 3.43Å; Q326-G337 WeakPolarHBondContact CG-O 3.44Å; Q326-G337 VanDerWaalsContact O-CA 3.28Å; Q326-G337 WeakPolarHBondContact O-CA 3.3Å; Q326-L339 HydrophobicContact CB-CB 4.18Å; Q326-L339 HydrophobicContact CG-CB 3.75Å
327	R	96.1	Very high	96.1	Very high	46 Å²	46	15.2 Å²	15.2	17%	0.174	7%	0.072	C	C	.	.			trans	-95	138.4	-172.3	-50.6	-179.1	-178.4	165.4	5.2	111.4	Q249 L325 S335	Q249-R327 PolarHBondContact NE2-O 2.8Å; Q249-R327 VanDerWaalsContact NE2-O 3.16Å; L325-R327 HydrophobicContact CB-CG 4.37Å; L325-R327 PolarHBondContact O-N 2.9Å; R327-S335 VanDerWaalsContact CD-O 3.27Å; R327-S335 WeakPolarHBondContact CD-O 3.24Å; R327-S335 WeakPolarHBondContact CG-O 3.21Å
328	M	96.8	Very high	95.9	Very high	2 Å²	2	17 Å²	17	1%	0.01	8%	0.078	C	C	.	.	S	Bend	trans	-78	-22.2	176.8	-63.1	-175.6	-166.1	0	0	113.1	L159 L160 L221 G241 Q242 A243 I247 Q249	L159-M328 HydrophobicContact CB-CE 3.95Å; L160-M328 HydrophobicContact CD2-CE 3.87Å; L160-M328 HydrophobicContact CD2-SD 3.96Å; L160-M328 HydrophobicContact CG-CE 4.28Å; L221-M328 HydrophobicContact CB-SD 4.05Å; L221-M328 HydrophobicContact CD1-CB 4.23Å; L221-M328 HydrophobicContact CD2-CB 3.94Å; L221-M328 HydrophobicContact CD2-SD 4.37Å; G241-M328 VanDerWaalsContact CA-CE 3.46Å; Q242-M328 VanDerWaalsContact C-SD 3.5Å; A243-M328 HydrophobicContact CB-CB 4Å; A243-M328 WeakPolarHBondContact CB-O 3.31Å; I247-M328 WeakPolarHBondContact CD1-O 2.95Å; Q249-M328 HydrophobicContact CG-CG 4.11Å
329	T	97.2	Very high	95.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-122.8	103.6	162	52.7	0	0	0	0	106.9	F209 V218 L221 T331 S334 S335	F209-T329 HydrophobicContact CB-CG2 4.04Å; F209-T329 HydrophobicContact CD1-CG2 4.4Å; V218-T329 HydrophobicContact CG2-CG2 4.5Å; L221-T329 HydrophobicContact CD2-CG2 4.4Å; T329-T331 PolarHBondContact O-N 3.13Å; T329-S334 PolarHBondContact O-OG 2.84Å; T329-S334 WeakPolarHBondContact OG1-CB 3.36Å; T329-S334 PolarHBondContact OG1-OG 2.98Å; T329-S335 PolarHBondContact N-OG 2.74Å; T329-S335 PolarHBondContact O-OG 2.89Å; T329-S335 VanDerWaalsContact OG1-CB 3.31Å; T329-S335 WeakPolarHBondContact OG1-CB 3.36Å; T329-S335 PolarHBondContact OG1-N 2.74Å; T329-S335 PolarHBondContact OG1-OG 2.99Å
330	P	92.4	Very high	95.8	Very high	7 Å²	7	20 Å²	20	5%	0.045	9%	0.094	C	C	.	.			trans	-79.9	0.4	-167.2	29.1	-32.3	0	0	0	114.8	I247 L286 L325	I247-P330 HydrophobicContact CD1-CG 4.4Å; L286-P330 HydrophobicContact CD1-CG 3.62Å; L325-P330 HydrophobicContact CB-CB 4.45Å; L325-P330 HydrophobicContact CD1-CB 3.84Å
331	T	92.9	Very high	95.8	Very high	9 Å²	9	19.1 Å²	19.1	6%	0.055	9%	0.091	C	C	.	.	S	Bend	trans	-57.8	153.7	172	-52.2	0	0	0	0	111.2	Y120 K214 T329 A333 S334	Y120-T331 HydrophobicContact CD1-CG2 4.36Å; Y120-T331 HydrophobicContact CE1-CG2 4.03Å; K214-T331 HydrophobicContact CG-CG2 4.46Å; T329-T331 PolarHBondContact O-N 3.13Å; T331-A333 PolarHBondContact O-N 2.89Å; T331-S334 PolarHBondContact O-OG 2.8Å
332	Y	93.1	Very high	95.7	Very high	52 Å²	52	26.3 Å²	26.3	20%	0.204	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	130.8	172.8	179	-105.1	0	0	0	111.5	E110 E122 W124 W202 S334	E110-Y332 WeakPolarHBondContact CG-OH 3.36Å; E110-Y332 WeakPolarHBondContact OE1-CE2 3.37Å; E110-Y332 PolarHBondContact OE1-OH 3.32Å; E122-Y332 HydrophobicContact CG-CD1 4.32Å; E122-Y332 HydrophobicContact CG-CE1 4.17Å; W124-Y332 AromaticContact CH2-CD1 3.53Å; W124-Y332 HydrophobicContact CH2-CD1 3.53Å; W124-Y332 HydrophobicContact CH2-CD2 4.08Å; W124-Y332 AromaticContact CH2-CE1 3.77Å; W124-Y332 HydrophobicContact CH2-CE1 3.77Å; W124-Y332 HydrophobicContact CH2-CE2 4.3Å; W124-Y332 AromaticContact CH2-CG 3.7Å; W124-Y332 HydrophobicContact CH2-CG 3.7Å; W124-Y332 HydrophobicContact CZ2-CD1 4.32Å; W124-Y332 HydrophobicContact CZ3-CD1 4.07Å; W124-Y332 AromaticContact CZ3-CE1 3.79Å; W124-Y332 HydrophobicContact CZ3-CE1 3.79Å; W124-Y332 HydrophobicContact CZ3-CE2 4.35Å; W124-Y332 HydrophobicContact CZ3-CG 4.44Å; W124-Y332 AromaticContact CZ3-CZ 3.95Å; W202-Y332 HydrophobicContact CZ2-CE2 4.37Å; W202-Y332 AromaticContact NE1-CE1 3.74Å; W202-Y332 AromaticContact NE1-CZ 3.61Å; W202-Y332 PolarHBondContact NE1-OH 3.01Å; W202-Y332 VanDerWaalsContact NE1-OH 3.16Å; Y332-S334 PolarHBondContact O-N 2.87Å
333	A	94.9	Very high	95.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	7.8	173	0	0	0	0	0	117.7	A119 A200 W202 T331	A119-A333 HydrophobicContact CB-CB 3.93Å; A200-A333 HydrophobicContact CB-CB 3.79Å; W202-A333 HydrophobicContact CZ2-CB 3.96Å; T331-A333 PolarHBondContact O-N 2.89Å
334	S	95.7	Very high	95.5	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.021	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-48.9	-171.9	52.6	0	0	0	0	115.8	Y120 Y198 F209 T329 T331 Y332	Y120-S334 VanDerWaalsContact CZ-CB 3.43Å; Y120-S334 WeakPolarHBondContact OH-CB 3.49Å; Y198-S334 WeakPolarHBondContact CB-O 3.31Å; Y198-S334 WeakPolarHBondContact CD1-O 3.12Å; F209-S334 WeakPolarHBondContact CE1-O 3.34Å; T329-S334 PolarHBondContact O-OG 2.84Å; T329-S334 WeakPolarHBondContact OG1-CB 3.36Å; T329-S334 PolarHBondContact OG1-OG 2.98Å; T331-S334 PolarHBondContact O-OG 2.8Å; Y332-S334 PolarHBondContact O-N 2.87Å
335	S	96.9	Very high	95.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.119	C	C	.	.			trans	-149	160.3	169.1	65.5	0	0	0	0	107.9	H163 R327 T329	H163-S335 VanDerWaalsContact CE1-C 3.45Å; H163-S335 PolarHBondContact CE1-O 2.93Å; R327-S335 VanDerWaalsContact CD-O 3.27Å; R327-S335 WeakPolarHBondContact CD-O 3.24Å; R327-S335 WeakPolarHBondContact CG-O 3.21Å; T329-S335 PolarHBondContact N-OG 2.74Å; T329-S335 PolarHBondContact O-OG 2.89Å; T329-S335 VanDerWaalsContact OG1-CB 3.31Å; T329-S335 WeakPolarHBondContact OG1-CB 3.36Å; T329-S335 PolarHBondContact OG1-N 2.74Å; T329-S335 PolarHBondContact OG1-OG 2.99Å
336	N	95.7	Very high	95.5	Very high	21 Å²	21	28.1 Å²	28.1	11%	0.112	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	159.9	171	-162.7	20.5	0	0	0	110.5	A161 P162 Y171 Q326	A161-N336 PolarHBondContact N-O 2.86Å; A161-N336 CarbonylContact O-C 3.57Å; A161-N336 WeakPolarHBondContact O-CA 3.49Å; A161-N336 VanDerWaalsContact O-CB 3.24Å; A161-N336 WeakPolarHBondContact O-CB 3.27Å; P162-N336 PolarHBondContact O-ND2 2.76Å; Y171-N336 PolarHBondContact OH-N 3.36Å; Y171-N336 PolarHBondContact OH-O 3.21Å; Q326-N336 PolarHBondContact NE2-OD1 3.01Å
337	G	95.4	Very high	95.5	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	171.9	174	0	0	0	0	0	112.1	L159 Q326 L339	L159-G337 CarbonylContact O-C 3.44Å; L159-G337 WeakPolarHBondContact O-CA 3.5Å; Q326-G337 VanDerWaalsContact CG-C 3.43Å; Q326-G337 WeakPolarHBondContact CG-O 3.44Å; Q326-G337 VanDerWaalsContact O-CA 3.28Å; Q326-G337 WeakPolarHBondContact O-CA 3.3Å; G337-L339 PolarHBondContact O-N 2.84Å
338	R	95.3	Very high	95.5	Very high	36 Å²	36	28.9 Å²	28.9	14%	0.136	13%	0.133	C	C	.	.			trans	-70.2	120.2	178.3	-177.1	176.9	177.1	179.2	-4.6	109.4	L159 E237 F251 Y272 D340	L159-R338 PolarHBondContact O-N 2.78Å; E237-R338 IonicContact OE1-CZ 3.6Å; E237-R338 IonicContact OE1-NH1 3.08Å; E237-R338 IonicContact OE1-NH2 2.76Å; E237-R338 PolarHBondContact OE1-NH2 2.81Å; E237-R338 IonicContact OE2-CZ 2.68Å; E237-R338 IonicContact OE2-NH1 2.77Å; E237-R338 PolarHBondContact OE2-NH1 3.2Å; E237-R338 IonicContact OE2-NH2 2.62Å; E237-R338 PolarHBondContact OE2-NH2 2.88Å; F251-R338 VanDerWaalsContact CE1-CZ 3.47Å; F251-R338 VanDerWaalsContact CE1-NH1 3.29Å; Y272-R338 WeakPolarHBondContact CD1-O 3.48Å; Y272-R338 WeakPolarHBondContact CE1-O 3.19Å; R338-D340 VanDerWaalsContact CG-OD1 3.25Å; R338-D340 WeakPolarHBondContact CG-OD1 2.97Å; R338-D340 IonicContact CZ-OD1 3.96Å; R338-D340 IonicContact CZ-OD2 3.51Å; R338-D340 IonicContact NE-OD1 3.7Å; R338-D340 PolarHBondContact NE-OD1 3.42Å; R338-D340 IonicContact NE-OD2 3.96Å; R338-D340 IonicContact NH2-OD1 3.78Å; R338-D340 IonicContact NH2-OD2 3.14Å; R338-D340 PolarHBondContact NH2-OD2 2.84Å
339	L	96	Very high	95.6	Very high	56 Å²	56	28.9 Å²	28.9	29%	0.293	13%	0.133	S	C	.	.			trans	-138.4	115.2	165.1	179.2	64.8	0	0	0	106.2	Y272 L293 Q326 G337 I341	Y272-L339 HydrophobicContact CD1-CD1 4.39Å; Y272-L339 HydrophobicContact CD2-CD1 3.96Å; Y272-L339 HydrophobicContact CE1-CD1 4.23Å; Y272-L339 HydrophobicContact CE2-CD1 3.76Å; Y272-L339 HydrophobicContact CG-CD1 4.27Å; L293-L339 HydrophobicContact CD2-CD1 4.23Å; Q326-L339 HydrophobicContact CB-CB 4.18Å; Q326-L339 HydrophobicContact CG-CB 3.75Å; G337-L339 PolarHBondContact O-N 2.84Å; L339-I341 HydrophobicContact CD1-CB 4.25Å; L339-I341 HydrophobicContact CD1-CG1 4.37Å; L339-I341 HydrophobicContact CG-CB 4.33Å; L339-I341 PolarHBondContact O-N 3.21Å
340	D	95.1	Very high	95.6	Very high	59 Å²	59	29.2 Å²	29.2	32%	0.316	14%	0.135	S	C	.	.			trans	-87.1	1.7	-175.5	-60.2	1.5	0	0	0	111.1	K253 Y272 R338	K253-D340 IonicContact NZ-OD2 2.68Å; K253-D340 PolarHBondContact NZ-OD2 3.12Å; Y272-D340 WeakPolarHBondContact OH-CB 3.33Å; Y272-D340 PolarHBondContact OH-N 3.23Å; R338-D340 VanDerWaalsContact CG-OD1 3.25Å; R338-D340 WeakPolarHBondContact CG-OD1 2.97Å; R338-D340 IonicContact CZ-OD1 3.96Å; R338-D340 IonicContact CZ-OD2 3.51Å; R338-D340 IonicContact NE-OD1 3.7Å; R338-D340 PolarHBondContact NE-OD1 3.42Å; R338-D340 IonicContact NE-OD2 3.96Å; R338-D340 IonicContact NH2-OD1 3.78Å; R338-D340 IonicContact NH2-OD2 3.14Å; R338-D340 PolarHBondContact NH2-OD2 2.84Å
341	I	96.1	Very high	95.9	Very high	16 Å²	16	29 Å²	29	8%	0.082	13%	0.133	C	C	.	.			trans	-97.8	123.7	178.3	-53	-55.5	0	0	0	109.2	A295 T297 T313 L339 W343	A295-I341 HydrophobicContact CB-CD1 3.55Å; A295-I341 HydrophobicContact CB-CG1 3.62Å; T297-I341 HydrophobicContact CG2-CD1 3.53Å; T313-I341 HydrophobicContact CG2-CG1 4.47Å; T313-I341 HydrophobicContact CG2-CG2 3.95Å; L339-I341 HydrophobicContact CD1-CB 4.25Å; L339-I341 HydrophobicContact CD1-CG1 4.37Å; L339-I341 HydrophobicContact CG-CB 4.33Å; L339-I341 PolarHBondContact O-N 3.21Å; I341-W343 HydrophobicContact CG2-CZ2 3.94Å
342	W	94.1	Very high	96.2	Very high	166 Å²	166	28.8 Å²	28.8	63%	0.629	13%	0.132	S	C	*	.			trans	-155	124.5	177.3	179.2	-100.2	0	0	0	110.3	R309 D344	R309-W342 PolarHBondContact NH2-O 3.19Å; W342-D344 HydrophobicContact CZ2-CB 4.41Å
343	W	97.4	Very high	96.5	Very high	23 Å²	23	26.8 Å²	26.8	9%	0.087	13%	0.128	C	C	.	.			trans	-113.1	-17.7	-175	-61.4	-24.1	0	0	0	113.7	E311 T313 I341 N345 F349 A356 F358 V380	E311-W343 HydrophobicContact CB-CZ2 4.16Å; E311-W343 PolarHBondContact OE2-NE1 2.8Å; T313-W343 HydrophobicContact CG2-CH2 3.88Å; T313-W343 HydrophobicContact CG2-CZ2 3.85Å; I341-W343 HydrophobicContact CG2-CZ2 3.94Å; W343-N345 HydrophobicContact CB-CB 4.18Å; W343-N345 PolarHBondContact O-N 3.35Å; W343-N345 PolarHBondContact O-OD1 3.02Å; W343-F349 AromaticContact CE3-CD2 3.55Å; W343-F349 HydrophobicContact CE3-CD2 3.55Å; W343-F349 AromaticContact CE3-CE2 3.96Å; W343-F349 HydrophobicContact CE3-CE2 3.96Å; W343-F349 HydrophobicContact CE3-CG 4.24Å; W343-F349 HydrophobicContact CZ3-CB 3.98Å; W343-F349 AromaticContact CZ3-CD2 3.73Å; W343-F349 HydrophobicContact CZ3-CD2 3.73Å; W343-F349 HydrophobicContact CZ3-CE2 4.44Å; W343-F349 AromaticContact CZ3-CG 3.94Å; W343-F349 HydrophobicContact CZ3-CG 3.94Å; W343-A356 HydrophobicContact CH2-CB 3.67Å; W343-A356 HydrophobicContact CZ3-CB 3.64Å; W343-F358 HydrophobicContact CB-CD2 3.54Å; W343-F358 HydrophobicContact CB-CE2 3.81Å; W343-F358 HydrophobicContact CB-CG 4.37Å; W343-F358 AromaticContact CD1-CD2 3.6Å; W343-F358 AromaticContact CD1-CG 3.58Å; W343-F358 HydrophobicContact CD2-CB 3.57Å; W343-F358 AromaticContact CD2-CD2 3.9Å; W343-F358 HydrophobicContact CD2-CD2 3.9Å; W343-F358 AromaticContact CD2-CG 3.95Å; W343-F358 HydrophobicContact CD2-CG 3.95Å; W343-F358 AromaticContact CE2-CG 3.98Å; W343-F358 HydrophobicContact CE3-CB 4.07Å; W343-F358 HydrophobicContact CG-CB 3.93Å; W343-F358 AromaticContact CG-CD2 3.39Å; W343-F358 HydrophobicContact CG-CD2 3.39Å; W343-F358 HydrophobicContact CG-CE2 4.03Å; W343-F358 AromaticContact CG-CG 3.74Å; W343-F358 HydrophobicContact CG-CG 3.74Å; W343-F358 HydrophobicContact CH2-CB 4.21Å; W343-F358 HydrophobicContact CZ2-CB 3.72Å; W343-F358 HydrophobicContact CZ3-CB 4.37Å; W343-F358 AromaticContact NE1-CG 3.76Å; W343-V380 HydrophobicContact CB-CG2 4.42Å; W343-V380 HydrophobicContact CD2-CG2 4.3Å; W343-V380 HydrophobicContact CE3-CB 4.47Å; W343-V380 HydrophobicContact CE3-CG1 3.75Å; W343-V380 HydrophobicContact CE3-CG2 3.79Å; W343-V380 HydrophobicContact CZ3-CG1 3.62Å; W343-V380 HydrophobicContact CZ3-CG2 4.44Å
344	D	94.1	Very high	96.6	Very high	30 Å²	30	26.8 Å²	26.8	16%	0.16	13%	0.127	C	C	.	.			trans	57.2	27.2	-174.3	-155.7	18.6	0	0	0	113.3	W342 H430 K458	W342-D344 HydrophobicContact CZ2-CB 4.41Å; D344-H430 PolarHBondContact O-NE2 2.82Å; D344-H430 IonicContact OD2-CE1 2.88Å; D344-H430 IonicContact OD2-ND1 3.21Å; D344-H430 IonicContact OD2-NE2 3.63Å; D344-K458 IonicContact OD1-NZ 3.52Å; D344-K458 PolarHBondContact OD1-NZ 3.39Å; D344-K458 IonicContact OD2-NZ 3.52Å; D344-K458 PolarHBondContact OD2-NZ 2.85Å
345	N	97.8	Very high	96.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.138	C	C	.	.	S	Bend	trans	-102	32.6	-175.7	-85	102.8	0	0	0	112.7	W343 S347 F349 F358 S378 V380 A408 S410	W343-N345 HydrophobicContact CB-CB 4.18Å; W343-N345 PolarHBondContact O-N 3.35Å; W343-N345 PolarHBondContact O-OD1 3.02Å; N345-S347 VanDerWaalsContact C-N 3.33Å; N345-S347 PolarHBondContact O-N 2.93Å; N345-F349 HydrophobicContact CB-CE2 3.93Å; N345-F349 HydrophobicContact CB-CZ 4.2Å; N345-F358 VanDerWaalsContact OD1-CE2 3.31Å; N345-F358 WeakPolarHBondContact OD1-CE2 3.47Å; N345-S378 PolarHBondContact ND2-OG 2.64Å; N345-S378 PolarHBondContact OD1-OG 3.36Å; N345-S378 VanDerWaalsContact OD1-OG 3.14Å; N345-V380 HydrophobicContact CB-CG2 3.71Å; N345-A408 HydrophobicContact CB-CB 3.93Å; N345-S410 PolarHBondContact ND2-OG 2.85Å
346	R	96.2	Very high	96.9	Very high	38 Å²	38	29.2 Å²	29.2	14%	0.143	14%	0.138	C	C	.	.	S	Bend	trans	71.2	-64.4	-178.2	-56.1	-56.5	-56.4	106.9	27.6	116.1	T432 Y434 F451 E454 D456	R346-T432 HydrophobicContact CG-CG2 3.7Å; R346-Y434 HydrophobicContact CB-CG 4.17Å; R346-F451 HydrophobicContact CB-CE2 4.12Å; R346-F451 HydrophobicContact CB-CZ 3.95Å; R346-F451 WeakPolarHBondContact O-CZ 3.34Å; R346-E454 IonicContact CZ-OE2 3.97Å; R346-E454 IonicContact NE-OE2 2.66Å; R346-E454 PolarHBondContact NE-OE2 3.08Å; R346-E454 IonicContact NH2-OE1 3.82Å; R346-E454 IonicContact NH2-OE2 2.93Å; R346-E454 PolarHBondContact NH2-OE2 2.9Å; R346-D456 VanDerWaalsContact CD-OD2 3.32Å; R346-D456 WeakPolarHBondContact CD-OD2 3.2Å; R346-D456 HydrophobicContact CG-CB 4.45Å; R346-D456 IonicContact NE-OD2 3.85Å
347	S	96.8	Very high	97.1	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.07	15%	0.15	C	C	.	.	S	Bend	trans	-75.4	157.3	-177.9	-176.6	0	0	0	0	111.2	N345 F349 E406 Y434	N345-S347 VanDerWaalsContact C-N 3.33Å; N345-S347 PolarHBondContact O-N 2.93Å; S347-F349 VanDerWaalsContact C-N 3.34Å; S347-F349 WeakPolarHBondContact O-CD2 3.28Å; S347-F349 VanDerWaalsContact O-CE2 3.23Å; S347-F349 WeakPolarHBondContact O-CE2 3.13Å; S347-F349 PolarHBondContact OG-N 2.82Å; S347-F349 VanDerWaalsContact OG-N 3.17Å; S347-E406 WeakPolarHBondContact CB-OE1 3.21Å; S347-E406 PolarHBondContact OG-OE1 3.14Å; S347-Y434 VanDerWaalsContact CB-CE2 3.45Å
348	D	95.9	Very high	97.2	Very high	75 Å²	75	31.3 Å²	31.3	40%	0.401	15%	0.15	S	C	.	.			trans	-83.8	-14.4	171.5	-69.7	-22.9	0	0	0	111.8	N350 N449	D348-N350 VanDerWaalsContact C-N 3.26Å; D348-N350 HydrophobicContact CB-CB 4.19Å; D348-N350 PolarHBondContact O-N 2.93Å; D348-N449 PolarHBondContact OD2-ND2 3.22Å
349	F	98.3	Very high	97.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.166	C	C	.	.			trans	48.3	49	-179.4	-53.2	-81.9	0	0	0	112.1	W343 N345 S347 E354 A356 V380 A382 E406 A408 Y434	W343-F349 AromaticContact CE3-CD2 3.55Å; W343-F349 HydrophobicContact CE3-CD2 3.55Å; W343-F349 AromaticContact CE3-CE2 3.96Å; W343-F349 HydrophobicContact CE3-CE2 3.96Å; W343-F349 HydrophobicContact CE3-CG 4.24Å; W343-F349 HydrophobicContact CZ3-CB 3.98Å; W343-F349 AromaticContact CZ3-CD2 3.73Å; W343-F349 HydrophobicContact CZ3-CD2 3.73Å; W343-F349 HydrophobicContact CZ3-CE2 4.44Å; W343-F349 AromaticContact CZ3-CG 3.94Å; W343-F349 HydrophobicContact CZ3-CG 3.94Å; N345-F349 HydrophobicContact CB-CE2 3.93Å; N345-F349 HydrophobicContact CB-CZ 4.2Å; S347-F349 VanDerWaalsContact C-N 3.34Å; S347-F349 WeakPolarHBondContact O-CD2 3.28Å; S347-F349 VanDerWaalsContact O-CE2 3.23Å; S347-F349 WeakPolarHBondContact O-CE2 3.13Å; S347-F349 PolarHBondContact OG-N 2.82Å; S347-F349 VanDerWaalsContact OG-N 3.17Å; F349-E354 VanDerWaalsContact C-CD 3.48Å; F349-E354 WeakPolarHBondContact CA-OE1 3.49Å; F349-E354 WeakPolarHBondContact CA-OE2 3.24Å; F349-A356 HydrophobicContact CB-CB 3.9Å; F349-A356 HydrophobicContact CG-CB 4.4Å; F349-V380 HydrophobicContact CD1-CG1 3.91Å; F349-V380 HydrophobicContact CD2-CG1 4.12Å; F349-V380 HydrophobicContact CE1-CB 4.23Å; F349-V380 HydrophobicContact CE1-CG1 3.6Å; F349-V380 HydrophobicContact CE2-CB 4.25Å; F349-V380 HydrophobicContact CE2-CG1 3.85Å; F349-V380 HydrophobicContact CE2-CG2 4.3Å; F349-V380 HydrophobicContact CG-CG1 4.14Å; F349-V380 HydrophobicContact CZ-CB 3.84Å; F349-V380 HydrophobicContact CZ-CG1 3.57Å; F349-V380 HydrophobicContact CZ-CG2 4.31Å; F349-A382 HydrophobicContact CD1-CB 3.73Å; F349-A382 HydrophobicContact CE1-CB 4.44Å; F349-E406 HydrophobicContact CD1-CB 4Å; F349-E406 HydrophobicContact CE1-CB 3.8Å; F349-A408 HydrophobicContact CZ-CB 4.35Å; F349-Y434 HydrophobicContact CE1-CE2 4.35Å
350	N	98.3	Very high	97.5	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.032	16%	0.156	C	C	.	.			trans	-126.9	16.2	-167.4	68.9	-11.6	0	0	0	115	V315 Y323 F324 D348 E354 N449	V315-N350 WeakPolarHBondContact CG1-O 3.4Å; Y323-N350 CarbonylContact C-O 3.59Å; Y323-N350 WeakPolarHBondContact CA-O 3.19Å; Y323-N350 VanDerWaalsContact CB-O 3.23Å; Y323-N350 WeakPolarHBondContact CB-O 3.3Å; F324-N350 PolarHBondContact N-O 2.86Å; F324-N350 PolarHBondContact O-ND2 3.07Å; D348-N350 VanDerWaalsContact C-N 3.26Å; D348-N350 HydrophobicContact CB-CB 4.19Å; D348-N350 PolarHBondContact O-N 2.93Å; N350-E354 PolarHBondContact N-OE2 2.55Å; N350-N449 PolarHBondContact ND2-ND2 3.45Å; N350-N449 PolarHBondContact OD1-ND2 3.18Å
351	A	98.6	Very high	97.7	Very high	2 Å²	2	31 Å²	31	2%	0.017	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-68.1	158.3	177.3	0	0	0	0	0	112.3	V315 G353 E354 A385 I450	V315-A351 WeakPolarHBondContact CB-O 3.32Å; V315-A351 WeakPolarHBondContact CG1-O 3.3Å; A351-G353 PolarHBondContact O-N 2.69Å; A351-E354 HydrophobicContact CB-CB 4.25Å; A351-E354 WeakPolarHBondContact CB-OE2 3.33Å; A351-E354 PolarHBondContact N-OE2 2.63Å; A351-E354 WeakPolarHBondContact O-CB 3.45Å; A351-E354 PolarHBondContact O-N 2.76Å; A351-E354 VanDerWaalsContact O-N 3.12Å; A351-A385 HydrophobicContact CB-CB 3.8Å; A351-I450 HydrophobicContact CB-CD1 3.96Å; A351-I450 HydrophobicContact CB-CG1 4.42Å
352	N	98.7	Very high	97.8	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.027	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-57.8	130.9	179.6	-178.1	29.6	0	0	0	111.1	A317 D318 G322 E354 K386	A317-N352 VanDerWaalsContact C-CG 3.49Å; A317-N352 HydrophobicContact CB-CB 4.17Å; A317-N352 PolarHBondContact N-OD1 3.06Å; D318-N352 PolarHBondContact N-OD1 3.34Å; D318-N352 PolarHBondContact OD1-ND2 2.99Å; G322-N352 WeakPolarHBondContact O-CB 3.23Å; G322-N352 PolarHBondContact O-N 3.32Å; N352-E354 PolarHBondContact O-N 3.03Å; N352-K386 HydrophobicContact CB-CB 4.39Å; N352-K386 WeakPolarHBondContact O-CA 3.36Å; N352-K386 VanDerWaalsContact O-CB 3.23Å; N352-K386 WeakPolarHBondContact O-CB 3.3Å; N352-K386 PolarHBondContact O-N 3.27Å
353	G	98.5	Very high	98	Very high	11 Å²	11	27.5 Å²	27.5	11%	0.113	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-10.3	178.6	0	0	0	0	0	115.1	V315 A351 K355 D384	V315-G353 CarbonylContact O-C 3.52Å; V315-G353 WeakPolarHBondContact O-CA 3.22Å; V315-G353 PolarHBondContact O-N 3.46Å; A351-G353 PolarHBondContact O-N 2.69Å; G353-K355 PolarHBondContact O-NZ 2.78Å; G353-D384 CarbonylContact C-O 3.52Å; G353-D384 VanDerWaalsContact C-O 3.28Å
354	E	98.8	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.			trans	-64.3	135	-175.6	-166.5	177.9	177	0	0	111.2	W314 V315 F349 N350 A351 N352 A382 W383 A385	W314-E354 WeakPolarHBondContact CA-O 3.37Å; V315-E354 PolarHBondContact N-O 3.48Å; F349-E354 VanDerWaalsContact C-CD 3.48Å; F349-E354 WeakPolarHBondContact CA-OE1 3.49Å; F349-E354 WeakPolarHBondContact CA-OE2 3.24Å; N350-E354 PolarHBondContact N-OE2 2.55Å; A351-E354 HydrophobicContact CB-CB 4.25Å; A351-E354 WeakPolarHBondContact CB-OE2 3.33Å; A351-E354 PolarHBondContact N-OE2 2.63Å; A351-E354 WeakPolarHBondContact O-CB 3.45Å; A351-E354 PolarHBondContact O-N 2.76Å; A351-E354 VanDerWaalsContact O-N 3.12Å; N352-E354 PolarHBondContact O-N 3.03Å; E354-A382 HydrophobicContact CG-CB 3.98Å; E354-A382 WeakPolarHBondContact OE1-CB 3.35Å; E354-W383 WeakPolarHBondContact CA-O 3.48Å; E354-A385 HydrophobicContact CB-CB 4.09Å; E354-A385 HydrophobicContact CG-CB 3.96Å
355	K	98.9	Very high	98.2	Very high	54 Å²	54	27.5 Å²	27.5	24%	0.235	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.8	169	-64.9	169.7	-149	68.8	0	106.8	T313 W314 G353 A382 W383 D384	T313-K355 WeakPolarHBondContact O-CA 3.32Å; W314-K355 HydrophobicContact CB-CG 4.34Å; W314-K355 VanDerWaalsContact CD1-CG 3.48Å; W314-K355 HydrophobicContact CG-CG 3.94Å; G353-K355 PolarHBondContact O-NZ 2.78Å; K355-A382 CarbonylContact O-C 3.58Å; K355-A382 WeakPolarHBondContact O-CA 3.3Å; K355-W383 HydrophobicContact CB-CD2 4.06Å; K355-W383 HydrophobicContact CB-CE3 4.31Å; K355-W383 HydrophobicContact CB-CH2 3.83Å; K355-W383 HydrophobicContact CB-CZ2 3.54Å; K355-W383 HydrophobicContact CB-CZ3 4.21Å; K355-W383 HydrophobicContact CD-CZ2 3.78Å; K355-W383 HydrophobicContact CG-CZ2 4.31Å; K355-W383 PolarHBondContact N-O 3.17Å; K355-W383 PolarHBondContact O-N 2.97Å; K355-D384 IonicContact NZ-OD2 3.21Å; K355-D384 PolarHBondContact NZ-OD2 2.75Å
356	A	98.9	Very high	98.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.3	178.6	0	0	0	0	0	111.1	G312 T313 W343 F349 V380 Y381 A382	G312-A356 CarbonylContact C-O 3.54Å; G312-A356 WeakPolarHBondContact CA-O 3.47Å; T313-A356 PolarHBondContact N-O 2.99Å; T313-A356 PolarHBondContact O-N 2.85Å; W343-A356 HydrophobicContact CH2-CB 3.67Å; W343-A356 HydrophobicContact CZ3-CB 3.64Å; F349-A356 HydrophobicContact CB-CB 3.9Å; F349-A356 HydrophobicContact CG-CB 4.4Å; A356-V380 HydrophobicContact CB-CG1 4.46Å; A356-Y381 CarbonylContact C-O 3.49Å; A356-Y381 WeakPolarHBondContact CA-O 3.38Å; A356-A382 HydrophobicContact CB-CB 3.5Å; A356-A382 VanDerWaalsContact CB-CB 3.5Å
357	V	98.9	Very high	98.1	Very high	60 Å²	60	34.2 Å²	34.2	36%	0.364	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.5	175.3	177.4	0	0	0	0	108.6	L310 E311 V380 Y381 W383	L310-V357 HydrophobicContact CD1-CG1 3.9Å; E311-V357 CarbonylContact O-C 3.57Å; E311-V357 WeakPolarHBondContact O-CA 3.49Å; V357-V380 WeakPolarHBondContact O-CA 3.37Å; V357-Y381 PolarHBondContact N-O 2.9Å; V357-Y381 PolarHBondContact O-N 2.85Å; V357-W383 HydrophobicContact CG2-CH2 3.97Å; V357-W383 HydrophobicContact CG2-CZ3 3.95Å
358	F	98.9	Very high	98.1	Very high	7 Å²	7	42 Å²	42	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.1	174.1	169.4	-84.5	0	0	0	110.1	R309 L310 E311 W343 N345 S378 Y379 V380	R309-F358 HydrophobicContact CB-CD1 4.36Å; R309-F358 HydrophobicContact CB-CE1 3.72Å; L310-F358 WeakPolarHBondContact CA-O 3.42Å; E311-F358 HydrophobicContact CB-CB 4.34Å; E311-F358 HydrophobicContact CB-CD1 4.38Å; E311-F358 HydrophobicContact CG-CD1 4.44Å; E311-F358 PolarHBondContact N-O 3.16Å; E311-F358 PolarHBondContact O-N 2.91Å; W343-F358 HydrophobicContact CB-CD2 3.54Å; W343-F358 HydrophobicContact CB-CE2 3.81Å; W343-F358 HydrophobicContact CB-CG 4.37Å; W343-F358 AromaticContact CD1-CD2 3.6Å; W343-F358 AromaticContact CD1-CG 3.58Å; W343-F358 HydrophobicContact CD2-CB 3.57Å; W343-F358 AromaticContact CD2-CD2 3.9Å; W343-F358 HydrophobicContact CD2-CD2 3.9Å; W343-F358 AromaticContact CD2-CG 3.95Å; W343-F358 HydrophobicContact CD2-CG 3.95Å; W343-F358 AromaticContact CE2-CG 3.98Å; W343-F358 HydrophobicContact CE3-CB 4.07Å; W343-F358 HydrophobicContact CG-CB 3.93Å; W343-F358 AromaticContact CG-CD2 3.39Å; W343-F358 HydrophobicContact CG-CD2 3.39Å; W343-F358 HydrophobicContact CG-CE2 4.03Å; W343-F358 AromaticContact CG-CG 3.74Å; W343-F358 HydrophobicContact CG-CG 3.74Å; W343-F358 HydrophobicContact CH2-CB 4.21Å; W343-F358 HydrophobicContact CZ2-CB 3.72Å; W343-F358 HydrophobicContact CZ3-CB 4.37Å; W343-F358 AromaticContact NE1-CG 3.76Å; N345-F358 VanDerWaalsContact OD1-CE2 3.31Å; N345-F358 WeakPolarHBondContact OD1-CE2 3.47Å; F358-S378 VanDerWaalsContact CE2-CB 3.44Å; F358-Y379 WeakPolarHBondContact CA-O 3.33Å; F358-V380 HydrophobicContact CB-CG2 4.04Å; F358-V380 HydrophobicContact CD2-CG2 3.49Å; F358-V380 VanDerWaalsContact CD2-CG2 3.49Å; F358-V380 HydrophobicContact CE2-CG2 4.45Å; F358-V380 HydrophobicContact CG-CG2 4.23Å
359	F	98.8	Very high	98	Very high	108 Å²	108	45.5 Å²	45.5	47%	0.474	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.1	165.7	175.4	-98.4	0	0	0	109.4	L308 R309 S378 Y379	L308-F359 HydrophobicContact CD2-CZ 4.29Å; R309-F359 WeakPolarHBondContact O-CA 3.44Å; F359-S378 CarbonylContact O-C 3.58Å; F359-S378 WeakPolarHBondContact O-CA 3.3Å; F359-S378 WeakPolarHBondContact O-CB 3.27Å; F359-Y379 PolarHBondContact N-O 2.91Å; F359-Y379 PolarHBondContact O-N 2.91Å
360	G	98.7	Very high	98	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.5	178.2	0	0	0	0	0	112.3	L308 R309 A377	L308-G360 WeakPolarHBondContact CA-O 3.5Å; R309-G360 PolarHBondContact N-O 2.9Å; R309-G360 PolarHBondContact O-N 2.94Å; G360-A377 WeakPolarHBondContact CA-O 3.48Å
361	A	98.7	Very high	97.9	Very high	28 Å²	28	51.9 Å²	51.9	23%	0.231	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.8	174.1	0	0	0	0	0	110.6	V306 D307 L308 G376 A377	V306-A361 HydrophobicContact CG1-CB 4.47Å; D307-A361 CarbonylContact O-C 3.51Å; D307-A361 VanDerWaalsContact O-CA 3.27Å; D307-A361 WeakPolarHBondContact O-CA 3.23Å; L308-A361 HydrophobicContact CD2-CB 3.7Å; A361-G376 CarbonylContact O-C 3.48Å; A361-G376 WeakPolarHBondContact O-CA 3.1Å; A361-A377 PolarHBondContact N-O 3.25Å; A361-A377 PolarHBondContact O-N 3.26Å
362	M	98.4	Very high	97.8	Very high	52 Å²	52	52.6 Å²	52.6	26%	0.256	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.1	168.5	-70	-68	-59.7	0	0	109.2	V306 D307 A374 I375 G376 D412 V414	V306-M362 CarbonylContact C-O 3.54Å; V306-M362 WeakPolarHBondContact CA-O 3.19Å; D307-M362 HydrophobicContact CB-CB 4.31Å; D307-M362 PolarHBondContact N-O 2.89Å; D307-M362 PolarHBondContact O-N 2.91Å; M362-A374 HydrophobicContact CE-CB 3.95Å; M362-I375 CarbonylContact C-O 3.55Å; M362-G376 VanDerWaalsContact SD-CA 3.58Å; M362-D412 HydrophobicContact CE-CB 4.34Å; M362-D412 HydrophobicContact SD-CB 3.93Å; M362-V414 HydrophobicContact CE-CG2 4.1Å
363	Y	98.4	Very high	97.8	Very high	56 Å²	56	56.2 Å²	56.2	22%	0.22	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.4	178.9	-177.4	-118.1	0	0	0	111.1	V305 V306 L365 W368 A374 I375	V305-Y363 HydrophobicContact CB-CD2 4.11Å; V305-Y363 HydrophobicContact CB-CE2 3.7Å; V305-Y363 HydrophobicContact CG2-CD2 4.29Å; V305-Y363 HydrophobicContact CG2-CE2 3.64Å; V305-Y363 WeakPolarHBondContact O-CA 3.37Å; V306-Y363 HydrophobicContact CG2-CD2 3.68Å; V306-Y363 HydrophobicContact CG2-CE2 4.19Å; Y363-L365 HydrophobicContact CD1-CD2 3.59Å; Y363-L365 HydrophobicContact CD1-CG 4.14Å; Y363-L365 HydrophobicContact CE1-CD2 3.64Å; Y363-L365 HydrophobicContact CE1-CG 4.44Å; Y363-W368 AromaticContact CE1-NE1 3.72Å; Y363-W368 AromaticContact CZ-NE1 3.88Å; Y363-W368 PolarHBondContact OH-NE1 3.27Å; Y363-W368 VanDerWaalsContact OH-NE1 3.14Å; Y363-A374 CarbonylContact O-C 3.59Å; Y363-A374 WeakPolarHBondContact O-CA 3.22Å; Y363-A374 WeakPolarHBondContact O-CB 3.27Å; Y363-I375 PolarHBondContact N-O 3.23Å; Y363-I375 PolarHBondContact O-N 2.9Å
364	D	97.9	Very high	97.8	Very high	37 Å²	37	56.8 Å²	56.8	20%	0.198	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.1	170.9	-179.7	-8.9	0	0	0	110	R301 V305 K366	R301-D364 IonicContact NH2-OD2 3.54Å; V305-D364 PolarHBondContact O-N 2.66Å; D364-K366 PolarHBondContact O-N 3.38Å; D364-K366 VanDerWaalsContact OD1-CB 3.27Å; D364-K366 WeakPolarHBondContact OD1-CB 3.26Å; D364-K366 WeakPolarHBondContact OD1-CG 3.43Å; D364-K366 PolarHBondContact OD1-N 2.62Å; D364-K366 VanDerWaalsContact OD2-CD 3.28Å; D364-K366 WeakPolarHBondContact OD2-CD 3.4Å; D364-K366 WeakPolarHBondContact OD2-CE 3.41Å; D364-K366 IonicContact OD2-NZ 3.41Å
365	L	98.1	Very high	97.8	Very high	16 Å²	16	61 Å²	61	8%	0.084	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-81.5	12.4	-176.3	-66.5	163.9	0	0	0	113.1	Y363 N367 W368 L370 F373 I375	Y363-L365 HydrophobicContact CD1-CD2 3.59Å; Y363-L365 HydrophobicContact CD1-CG 4.14Å; Y363-L365 HydrophobicContact CE1-CD2 3.64Å; Y363-L365 HydrophobicContact CE1-CG 4.44Å; L365-N367 PolarHBondContact O-N 2.67Å; L365-N367 VanDerWaalsContact O-N 3.14Å; L365-W368 HydrophobicContact CD2-CD2 4.39Å; L365-W368 HydrophobicContact CD2-CG 4.39Å; L365-W368 WeakPolarHBondContact O-CA 3.36Å; L365-W368 WeakPolarHBondContact O-CB 3.46Å; L365-W368 PolarHBondContact O-N 3.35Å; L365-L370 HydrophobicContact CB-CB 3.9Å; L365-L370 HydrophobicContact CB-CD1 4.5Å; L365-L370 PolarHBondContact O-N 3.47Å; L365-F373 HydrophobicContact CB-CB 4.08Å; L365-F373 WeakPolarHBondContact CB-O 3.24Å; L365-F373 HydrophobicContact CD1-CB 3.74Å; L365-F373 HydrophobicContact CG-CB 4.48Å; L365-F373 PolarHBondContact N-O 2.97Å; L365-I375 HydrophobicContact CD1-CG1 4.25Å; L365-I375 HydrophobicContact CD1-CG2 3.99Å; L365-I375 HydrophobicContact CD2-CD1 4.44Å; L365-I375 HydrophobicContact CD2-CG1 4.43Å; L365-I375 HydrophobicContact CG-CG1 4.46Å
366	K	96.1	Very high	97.8	Very high	72 Å²	72	59.1 Å²	59.1	31%	0.313	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-51.8	-36.1	175.7	65	179.1	171.5	-178	0	113.7	D304 V305 D364 W368 N369	D304-K366 WeakPolarHBondContact O-CE 3.15Å; D304-K366 PolarHBondContact O-NZ 3.28Å; D304-K366 IonicContact OD1-NZ 2.77Å; D304-K366 IonicContact OD2-NZ 3.88Å; D304-K366 PolarHBondContact OD2-NZ 3.29Å; V305-K366 HydrophobicContact CG1-CD 4.38Å; V305-K366 HydrophobicContact CG1-CG 4.09Å; D364-K366 PolarHBondContact O-N 3.38Å; D364-K366 VanDerWaalsContact OD1-CB 3.27Å; D364-K366 WeakPolarHBondContact OD1-CB 3.26Å; D364-K366 WeakPolarHBondContact OD1-CG 3.43Å; D364-K366 PolarHBondContact OD1-N 2.62Å; D364-K366 VanDerWaalsContact OD2-CD 3.28Å; D364-K366 WeakPolarHBondContact OD2-CD 3.4Å; D364-K366 WeakPolarHBondContact OD2-CE 3.41Å; D364-K366 IonicContact OD2-NZ 3.41Å; K366-W368 PolarHBondContact O-N 3.01Å; K366-W368 VanDerWaalsContact O-N 3.16Å; K366-N369 PolarHBondContact O-N 2.83Å
367	N	95.5	Very high	97.8	Very high	108 Å²	108	61.2 Å²	61.2	58%	0.578	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-70.9	-7.5	179	-73.3	-3.1	0	0	0	113.6	L365	L365-N367 PolarHBondContact O-N 2.67Å; L365-N367 VanDerWaalsContact O-N 3.14Å
368	W	96	Very high	97.8	Very high	173 Å²	173	59 Å²	59	66%	0.655	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-108.5	17.4	179.5	-65.9	46	0	0	0	111.4	Y363 L365 K366 L370	Y363-W368 AromaticContact CE1-NE1 3.72Å; Y363-W368 AromaticContact CZ-NE1 3.88Å; Y363-W368 PolarHBondContact OH-NE1 3.27Å; Y363-W368 VanDerWaalsContact OH-NE1 3.14Å; L365-W368 HydrophobicContact CD2-CD2 4.39Å; L365-W368 HydrophobicContact CD2-CG 4.39Å; L365-W368 WeakPolarHBondContact O-CA 3.36Å; L365-W368 WeakPolarHBondContact O-CB 3.46Å; L365-W368 PolarHBondContact O-N 3.35Å; K366-W368 PolarHBondContact O-N 3.01Å; K366-W368 VanDerWaalsContact O-N 3.16Å; W368-L370 HydrophobicContact CB-CD1 4.49Å; W368-L370 PolarHBondContact O-N 3.17Å
369	N	95.4	Very high	97.8	Very high	150 Å²	150	63.8 Å²	63.8	80%	0.802	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	29.9	-172	-58.7	-42.5	0	0	0	113.4	K366 P371	K366-N369 PolarHBondContact O-N 2.83Å; N369-P371 VanDerWaalsContact O-CD 3.26Å; N369-P371 WeakPolarHBondContact O-CD 3.44Å
370	L	97.4	Very high	97.8	Very high	72 Å²	72	58.6 Å²	58.6	38%	0.377	31%	0.308	S	S	.	.			trans	-117	60.8	175.3	-64.7	174	0	0	0	110	L365 W368 G372 F373	L365-L370 HydrophobicContact CB-CB 3.9Å; L365-L370 HydrophobicContact CB-CD1 4.5Å; L365-L370 PolarHBondContact O-N 3.47Å; W368-L370 HydrophobicContact CB-CD1 4.49Å; W368-L370 PolarHBondContact O-N 3.17Å; L370-G372 PolarHBondContact O-N 3.34Å; L370-F373 HydrophobicContact CB-CB 4.08Å; L370-F373 HydrophobicContact CB-CD2 3.83Å; L370-F373 HydrophobicContact CB-CG 4.26Å; L370-F373 HydrophobicContact CD2-CD2 4.32Å; L370-F373 HydrophobicContact CD2-CE2 4.43Å; L370-F373 WeakPolarHBondContact O-CB 3.42Å; L370-F373 PolarHBondContact O-N 3.08Å; L370-F373 VanDerWaalsContact O-N 3.12Å
371	P	96	Very high	97.8	Very high	70 Å²	70	62 Å²	62	46%	0.455	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	138.4	-179.5	28.7	-35.9	0	0	0	110.9	N369 F373 Q418	N369-P371 VanDerWaalsContact O-CD 3.26Å; N369-P371 WeakPolarHBondContact O-CD 3.44Å; P371-F373 PolarHBondContact O-N 3.34Å; P371-Q418 HydrophobicContact CB-CG 4.24Å
372	G	96.8	Very high	97.8	Very high	17 Å²	17	60.7 Å²	60.7	18%	0.175	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-13.1	-176.2	0	0	0	0	0	114.6	L370 Y415 T416	L370-G372 PolarHBondContact O-N 3.34Å; G372-Y415 CarbonylContact O-C 3.55Å; G372-Y415 WeakPolarHBondContact O-CA 3.49Å; G372-T416 PolarHBondContact O-N 3.28Å
373	F	98.6	Very high	97.8	Very high	81 Å²	81	62.1 Å²	62.1	36%	0.355	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.2	170.8	-72	-88.6	0	0	0	111	L365 L370 P371 V414 Y415	L365-F373 HydrophobicContact CB-CB 4.08Å; L365-F373 WeakPolarHBondContact CB-O 3.24Å; L365-F373 HydrophobicContact CD1-CB 3.74Å; L365-F373 HydrophobicContact CG-CB 4.48Å; L365-F373 PolarHBondContact N-O 2.97Å; L370-F373 HydrophobicContact CB-CB 4.08Å; L370-F373 HydrophobicContact CB-CD2 3.83Å; L370-F373 HydrophobicContact CB-CG 4.26Å; L370-F373 HydrophobicContact CD2-CD2 4.32Å; L370-F373 HydrophobicContact CD2-CE2 4.43Å; L370-F373 WeakPolarHBondContact O-CB 3.42Å; L370-F373 PolarHBondContact O-N 3.08Å; L370-F373 VanDerWaalsContact O-N 3.12Å; P371-F373 PolarHBondContact O-N 3.34Å; F373-V414 CarbonylContact C-O 3.55Å; F373-V414 VanDerWaalsContact CA-O 3.29Å; F373-V414 WeakPolarHBondContact CA-O 3.29Å; F373-Y415 AromaticContact CD1-CD2 3.82Å; F373-Y415 HydrophobicContact CD1-CD2 3.82Å; F373-Y415 HydrophobicContact CD1-CG 4.13Å; F373-Y415 AromaticContact CD2-CD2 3.48Å; F373-Y415 HydrophobicContact CD2-CD2 3.48Å; F373-Y415 VanDerWaalsContact CD2-CD2 3.48Å; F373-Y415 AromaticContact CD2-CE2 3.79Å; F373-Y415 HydrophobicContact CD2-CE2 3.79Å; F373-Y415 HydrophobicContact CD2-CG 4.49Å; F373-Y415 AromaticContact CE1-CD2 3.69Å; F373-Y415 HydrophobicContact CE1-CD2 3.69Å; F373-Y415 AromaticContact CE1-CG 3.77Å; F373-Y415 HydrophobicContact CE1-CG 3.77Å; F373-Y415 AromaticContact CE2-CD2 3.34Å; F373-Y415 HydrophobicContact CE2-CD2 3.34Å; F373-Y415 AromaticContact CE2-CE2 3.44Å; F373-Y415 HydrophobicContact CE2-CE2 3.44Å; F373-Y415 VanDerWaalsContact CE2-CE2 3.44Å; F373-Y415 HydrophobicContact CE2-CG 4.17Å; F373-Y415 AromaticContact CG-CD2 3.72Å; F373-Y415 HydrophobicContact CG-CD2 3.72Å; F373-Y415 HydrophobicContact CG-CE2 4.48Å; F373-Y415 HydrophobicContact CG-CG 4.48Å; F373-Y415 HydrophobicContact CZ-CD1 4.44Å; F373-Y415 AromaticContact CZ-CD2 3.45Å; F373-Y415 HydrophobicContact CZ-CD2 3.45Å; F373-Y415 VanDerWaalsContact CZ-CD2 3.45Å; F373-Y415 AromaticContact CZ-CE2 3.85Å; F373-Y415 HydrophobicContact CZ-CE2 3.85Å; F373-Y415 AromaticContact CZ-CG 3.79Å; F373-Y415 HydrophobicContact CZ-CG 3.79Å
374	A	98.7	Very high	97.8	Very high	23 Å²	23	62.5 Å²	62.5	19%	0.19	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.7	168	0	0	0	0	0	110.3	M362 Y363 V414	M362-A374 HydrophobicContact CE-CB 3.95Å; Y363-A374 CarbonylContact O-C 3.59Å; Y363-A374 WeakPolarHBondContact O-CA 3.22Å; Y363-A374 WeakPolarHBondContact O-CB 3.27Å; A374-V414 PolarHBondContact N-O 2.89Å; A374-V414 PolarHBondContact O-N 2.67Å
375	I	98.7	Very high	97.8	Very high	87 Å²	87	60.8 Å²	60.8	45%	0.446	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.3	173.6	57.1	170.6	0	0	0	109.5	M362 Y363 L365 D412 A413	M362-I375 CarbonylContact C-O 3.55Å; Y363-I375 PolarHBondContact N-O 3.23Å; Y363-I375 PolarHBondContact O-N 2.9Å; L365-I375 HydrophobicContact CD1-CG1 4.25Å; L365-I375 HydrophobicContact CD1-CG2 3.99Å; L365-I375 HydrophobicContact CD2-CD1 4.44Å; L365-I375 HydrophobicContact CD2-CG1 4.43Å; L365-I375 HydrophobicContact CG-CG1 4.46Å; I375-D412 CarbonylContact C-O 3.58Å; I375-D412 VanDerWaalsContact CA-O 3.28Å; I375-D412 WeakPolarHBondContact CA-O 2.9Å; I375-A413 HydrophobicContact CG2-CB 4.45Å
376	G	98.6	Very high	97.9	Very high	15 Å²	15	64.4 Å²	64.4	16%	0.155	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	172.6	178	0	0	0	0	0	114.1	A361 M362 D412	A361-G376 CarbonylContact O-C 3.48Å; A361-G376 WeakPolarHBondContact O-CA 3.1Å; M362-G376 VanDerWaalsContact SD-CA 3.58Å; G376-D412 PolarHBondContact N-O 2.64Å; G376-D412 PolarHBondContact O-N 2.9Å
377	A	98.8	Very high	98	Very high	45 Å²	45	61.1 Å²	61.1	37%	0.372	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.8	174.8	0	0	0	0	0	109.9	G360 A361 S410 L411	G360-A377 WeakPolarHBondContact CA-O 3.48Å; A361-A377 PolarHBondContact N-O 3.25Å; A361-A377 PolarHBondContact O-N 3.26Å; A377-S410 CarbonylContact C-O 3.29Å; A377-S410 WeakPolarHBondContact CA-O 3.13Å; A377-L411 HydrophobicContact CB-CD2 3.82Å
378	S	98.8	Very high	98.1	Very high	13 Å²	13	56 Å²	56	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.9	169.3	67.2	0	0	0	0	111.4	N345 F358 F359 Y409 S410	N345-S378 PolarHBondContact ND2-OG 2.64Å; N345-S378 PolarHBondContact OD1-OG 3.36Å; N345-S378 VanDerWaalsContact OD1-OG 3.14Å; F358-S378 VanDerWaalsContact CE2-CB 3.44Å; F359-S378 CarbonylContact O-C 3.58Å; F359-S378 WeakPolarHBondContact O-CA 3.3Å; F359-S378 WeakPolarHBondContact O-CB 3.27Å; S378-Y409 CarbonylContact O-C 3.52Å; S378-Y409 VanDerWaalsContact O-CA 3.23Å; S378-Y409 WeakPolarHBondContact O-CA 3.32Å; S378-S410 PolarHBondContact N-O 2.81Å; S378-S410 PolarHBondContact O-N 3.39Å; S378-S410 WeakPolarHBondContact OG-CB 3.47Å; S378-S410 PolarHBondContact OG-OG 2.77Å
379	Y	98.9	Very high	98.1	Very high	108 Å²	108	50 Å²	50	42%	0.424	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.8	171.4	-171.9	-105.9	0	0	0	109.6	F358 F359 A408	F358-Y379 WeakPolarHBondContact CA-O 3.33Å; F359-Y379 PolarHBondContact N-O 2.91Å; F359-Y379 PolarHBondContact O-N 2.91Å; Y379-A408 CarbonylContact C-O 3.47Å; Y379-A408 VanDerWaalsContact CA-O 3.29Å; Y379-A408 WeakPolarHBondContact CA-O 3.17Å; Y379-A408 VanDerWaalsContact CD2-O 3.23Å; Y379-A408 WeakPolarHBondContact CD2-O 3.29Å
380	V	98.9	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.5	170.4	-174.6	0	0	0	0	108.4	W343 N345 F349 A356 V357 F358 S407 A408	W343-V380 HydrophobicContact CB-CG2 4.42Å; W343-V380 HydrophobicContact CD2-CG2 4.3Å; W343-V380 HydrophobicContact CE3-CB 4.47Å; W343-V380 HydrophobicContact CE3-CG1 3.75Å; W343-V380 HydrophobicContact CE3-CG2 3.79Å; W343-V380 HydrophobicContact CZ3-CG1 3.62Å; W343-V380 HydrophobicContact CZ3-CG2 4.44Å; N345-V380 HydrophobicContact CB-CG2 3.71Å; F349-V380 HydrophobicContact CD1-CG1 3.91Å; F349-V380 HydrophobicContact CD2-CG1 4.12Å; F349-V380 HydrophobicContact CE1-CB 4.23Å; F349-V380 HydrophobicContact CE1-CG1 3.6Å; F349-V380 HydrophobicContact CE2-CB 4.25Å; F349-V380 HydrophobicContact CE2-CG1 3.85Å; F349-V380 HydrophobicContact CE2-CG2 4.3Å; F349-V380 HydrophobicContact CG-CG1 4.14Å; F349-V380 HydrophobicContact CZ-CB 3.84Å; F349-V380 HydrophobicContact CZ-CG1 3.57Å; F349-V380 HydrophobicContact CZ-CG2 4.31Å; A356-V380 HydrophobicContact CB-CG1 4.46Å; V357-V380 WeakPolarHBondContact O-CA 3.37Å; F358-V380 HydrophobicContact CB-CG2 4.04Å; F358-V380 HydrophobicContact CD2-CG2 3.49Å; F358-V380 VanDerWaalsContact CD2-CG2 3.49Å; F358-V380 HydrophobicContact CE2-CG2 4.45Å; F358-V380 HydrophobicContact CG-CG2 4.23Å; V380-S407 WeakPolarHBondContact O-CA 3.28Å; V380-A408 PolarHBondContact N-O 2.83Å; V380-A408 PolarHBondContact O-N 2.84Å
381	Y	98.8	Very high	97.9	Very high	80 Å²	80	43.6 Å²	43.6	31%	0.314	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.3	165.3	-174	-101.7	0	0	0	109.3	A356 V357 W383 E405 E406	A356-Y381 CarbonylContact C-O 3.49Å; A356-Y381 WeakPolarHBondContact CA-O 3.38Å; V357-Y381 PolarHBondContact N-O 2.9Å; V357-Y381 PolarHBondContact O-N 2.85Å; Y381-W383 AromaticContact CD1-CE3 3.71Å; Y381-W383 HydrophobicContact CD1-CE3 3.71Å; Y381-W383 HydrophobicContact CD1-CZ3 4.28Å; Y381-W383 HydrophobicContact CE1-CB 4.1Å; Y381-W383 HydrophobicContact CE1-CD2 4.43Å; Y381-W383 AromaticContact CE1-CE3 3.97Å; Y381-W383 HydrophobicContact CE1-CE3 3.97Å; Y381-E405 PolarHBondContact OH-OE1 3.32Å; Y381-E405 PolarHBondContact OH-OE2 3Å; Y381-E406 CarbonylContact C-O 3.59Å; Y381-E406 WeakPolarHBondContact CA-O 3.45Å
382	A	98.9	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.6	177.7	0	0	0	0	0	111.4	F349 E354 K355 A356 E405 E406	F349-A382 HydrophobicContact CD1-CB 3.73Å; F349-A382 HydrophobicContact CE1-CB 4.44Å; E354-A382 HydrophobicContact CG-CB 3.98Å; E354-A382 WeakPolarHBondContact OE1-CB 3.35Å; K355-A382 CarbonylContact O-C 3.58Å; K355-A382 WeakPolarHBondContact O-CA 3.3Å; A356-A382 HydrophobicContact CB-CB 3.5Å; A356-A382 VanDerWaalsContact CB-CB 3.5Å; A382-E405 CarbonylContact O-C 3.48Å; A382-E405 VanDerWaalsContact O-CA 3.27Å; A382-E405 WeakPolarHBondContact O-CA 3.48Å; A382-E406 HydrophobicContact CB-CB 4.23Å; A382-E406 PolarHBondContact N-O 3.36Å; A382-E406 PolarHBondContact O-N 2.95Å
383	W	98.7	Very high	97.1	Very high	82 Å²	82	49.9 Å²	49.9	31%	0.311	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	168	-175	70.9	97.8	0	0	0	111.3	E354 K355 V357 Y381 A385 E405	E354-W383 WeakPolarHBondContact CA-O 3.48Å; K355-W383 HydrophobicContact CB-CD2 4.06Å; K355-W383 HydrophobicContact CB-CE3 4.31Å; K355-W383 HydrophobicContact CB-CH2 3.83Å; K355-W383 HydrophobicContact CB-CZ2 3.54Å; K355-W383 HydrophobicContact CB-CZ3 4.21Å; K355-W383 HydrophobicContact CD-CZ2 3.78Å; K355-W383 HydrophobicContact CG-CZ2 4.31Å; K355-W383 PolarHBondContact N-O 3.17Å; K355-W383 PolarHBondContact O-N 2.97Å; V357-W383 HydrophobicContact CG2-CH2 3.97Å; V357-W383 HydrophobicContact CG2-CZ3 3.95Å; Y381-W383 AromaticContact CD1-CE3 3.71Å; Y381-W383 HydrophobicContact CD1-CE3 3.71Å; Y381-W383 HydrophobicContact CD1-CZ3 4.28Å; Y381-W383 HydrophobicContact CE1-CB 4.1Å; Y381-W383 HydrophobicContact CE1-CD2 4.43Å; Y381-W383 AromaticContact CE1-CE3 3.97Å; Y381-W383 HydrophobicContact CE1-CE3 3.97Å; W383-A385 PolarHBondContact O-N 3.02Å; W383-E405 HydrophobicContact CB-CG 4.18Å
384	D	98.4	Very high	96.9	Very high	64 Å²	64	49.4 Å²	49.4	34%	0.342	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.5	21.6	-175.1	-63.5	-31.5	0	0	0	114.1	G353 K355 K386	G353-D384 CarbonylContact C-O 3.52Å; G353-D384 VanDerWaalsContact C-O 3.28Å; K355-D384 IonicContact NZ-OD2 3.21Å; K355-D384 PolarHBondContact NZ-OD2 2.75Å; D384-K386 PolarHBondContact O-N 3.46Å
385	A	98.7	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	126.7	171.2	0	0	0	0	0	108.7	A351 E354 W383 T403 I404 Y447 I450	A351-A385 HydrophobicContact CB-CB 3.8Å; E354-A385 HydrophobicContact CB-CB 4.09Å; E354-A385 HydrophobicContact CG-CB 3.96Å; W383-A385 PolarHBondContact O-N 3.02Å; A385-T403 CarbonylContact O-C 3.52Å; A385-T403 WeakPolarHBondContact O-CA 3.39Å; A385-T403 WeakPolarHBondContact O-CB 3.31Å; A385-I404 HydrophobicContact CB-CB 4.16Å; A385-I404 WeakPolarHBondContact CB-O 3.45Å; A385-I404 PolarHBondContact N-O 2.96Å; A385-I404 VanDerWaalsContact N-O 3.16Å; A385-I404 PolarHBondContact O-N 3.2Å; A385-Y447 HydrophobicContact CB-CE1 4.29Å; A385-Y447 PolarHBondContact O-OH 2.84Å; A385-Y447 VanDerWaalsContact O-OH 3.08Å; A385-I450 HydrophobicContact CB-CD1 4.13Å
386	K	98.6	Very high	96.6	Very high	92 Å²	92	52.3 Å²	52.3	40%	0.4	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-116.2	151.4	178.5	-63.6	169.7	-173.9	177.2	0	109.6	N352 D384 T403	N352-K386 HydrophobicContact CB-CB 4.39Å; N352-K386 WeakPolarHBondContact O-CA 3.36Å; N352-K386 VanDerWaalsContact O-CB 3.23Å; N352-K386 WeakPolarHBondContact O-CB 3.3Å; N352-K386 PolarHBondContact O-N 3.27Å; D384-K386 PolarHBondContact O-N 3.46Å; K386-T403 HydrophobicContact CG-CG2 4.03Å
387	P	98.1	Very high	96.5	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.019	30%	0.3	C	S	.	.			trans	-71.4	176.6	173.7	33.8	-37.4	0	0	0	110.6	Y398 R402 G445 G446 Y447	P387-Y398 HydrophobicContact CB-CE2 4.34Å; P387-Y398 HydrophobicContact CG-CE2 4.47Å; P387-R402 VanDerWaalsContact CD-O 3.22Å; P387-R402 WeakPolarHBondContact CD-O 3.42Å; P387-G445 VanDerWaalsContact CB-O 3.27Å; P387-G445 WeakPolarHBondContact CB-O 3.48Å; P387-G446 WeakPolarHBondContact CA-O 3.27Å; P387-Y447 HydrophobicContact CB-CD1 4.46Å; P387-Y447 HydrophobicContact CB-CD2 4.15Å; P387-Y447 HydrophobicContact CB-CE1 4.35Å; P387-Y447 HydrophobicContact CB-CE2 3.94Å; P387-Y447 HydrophobicContact CB-CG 4.41Å; P387-Y447 WeakPolarHBondContact CD-OH 3.41Å; P387-Y447 HydrophobicContact CG-CE2 4.4Å
388	A	97.8	Very high	96.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	29%	0.293	C	S	.	.			trans	-45.4	141.2	162.7	0	0	0	0	0	111.6	G319 Q320 W390 Q391 Y398 G446	G319-A388 WeakPolarHBondContact O-CA 3.35Å; Q320-A388 WeakPolarHBondContact O-CB 3.33Å; A388-W390 VanDerWaalsContact C-N 3.25Å; A388-W390 PolarHBondContact O-N 2.73Å; A388-Q391 HydrophobicContact CB-CG 4.06Å; A388-Y398 WeakPolarHBondContact O-CE2 3.1Å; A388-Y398 PolarHBondContact O-OH 3.41Å; A388-G446 PolarHBondContact N-O 2.83Å
389	T	97.2	Very high	96.3	Very high	46 Å²	46	59.8 Å²	59.8	28%	0.282	31%	0.308	S	S	.	.	S	Bend	trans	-73.8	-23.6	-178.8	54.6	0	0	0	0	111.9	D288 D318 G319 Y398	D288-T389 PolarHBondContact OD2-OG1 3.41Å; D318-T389 HydrophobicContact CB-CG2 3.87Å; G319-T389 VanDerWaalsContact CA-OG1 3.22Å; G319-T389 WeakPolarHBondContact CA-OG1 3.19Å; G319-T389 PolarHBondContact N-OG1 2.85Å; G319-T389 PolarHBondContact O-N 3.05Å; G319-T389 PolarHBondContact O-OG1 2.91Å; T389-Y398 PolarHBondContact O-OH 2.63Å
390	W	95.7	Very high	96.1	Very high	33 Å²	33	61 Å²	61	13%	0.125	32%	0.315	C	S	.	.			trans	-151.5	156.1	173	61.6	-91.2	0	0	0	110.7	R281 D285 D288 Q320 A388	R281-W390 VanDerWaalsContact CA-CH2 3.5Å; R281-W390 HydrophobicContact CB-CH2 3.87Å; R281-W390 HydrophobicContact CB-CZ2 4.33Å; R281-W390 HydrophobicContact CB-CZ3 4.16Å; R281-W390 HydrophobicContact CG-CH2 4.27Å; R281-W390 HydrophobicContact CG-CZ2 4.24Å; D285-W390 HydrophobicContact CB-CH2 4.24Å; D285-W390 HydrophobicContact CB-CZ2 4.14Å; D288-W390 PolarHBondContact OD1-NE1 3.03Å; D288-W390 VanDerWaalsContact OD1-NE1 3.13Å; Q320-W390 WeakPolarHBondContact CA-O 3.33Å; Q320-W390 HydrophobicContact CB-CD2 4.16Å; Q320-W390 HydrophobicContact CB-CE3 4.18Å; Q320-W390 HydrophobicContact CB-CH2 3.59Å; Q320-W390 HydrophobicContact CB-CZ2 3.59Å; Q320-W390 HydrophobicContact CB-CZ3 3.91Å; Q320-W390 HydrophobicContact CG-CD2 4.43Å; Q320-W390 HydrophobicContact CG-CE3 3.99Å; Q320-W390 HydrophobicContact CG-CH2 3.79Å; Q320-W390 HydrophobicContact CG-CZ2 4.28Å; Q320-W390 HydrophobicContact CG-CZ3 3.65Å; A388-W390 VanDerWaalsContact C-N 3.25Å; A388-W390 PolarHBondContact O-N 2.73Å
391	Q	91.9	Very high	95.9	Very high	56 Å²	56	66.8 Å²	66.8	26%	0.262	35%	0.346	S	S	.	.			trans	-140.7	140.9	172.9	-63.6	-172.5	-73.8	0	0	108.8	A388 N393 P394 Y398	A388-Q391 HydrophobicContact CB-CG 4.06Å; Q391-N393 VanDerWaalsContact C-N 3.31Å; Q391-P394 HydrophobicContact CB-CB 4.35Å; Q391-Y398 HydrophobicContact CG-CD2 4.38Å; Q391-Y398 HydrophobicContact CG-CE2 4.1Å
392	S	87.1	Confident	95.8	Very high	67 Å²	67	66.6 Å²	66.6	47%	0.469	35%	0.345	S	S	.	.	S	Bend	trans	-67.9	-34.5	175.1	-43.1	0	0	0	0	111.8	Q320	Q320-S392 PolarHBondContact OE1-OG 2.93Å
393	N	89.2	Confident	95.7	Very high	151 Å²	151	70.2 Å²	70.2	81%	0.807	37%	0.367	S	S	*	.	S	Bend	trans	-133	79.1	179.1	-65	-44.3	0	0	0	110.2	Q391	Q391-N393 VanDerWaalsContact C-N 3.31Å
394	P	94.2	Very high	95.7	Very high	72 Å²	72	66.6 Å²	66.6	47%	0.468	35%	0.353	S	S	.	.			trans	-67.4	140.6	178.6	28.4	-33.9	0	0	0	111.1	Q391 Y398	Q391-P394 HydrophobicContact CB-CB 4.35Å; P394-Y398 HydrophobicContact CB-CD1 3.55Å; P394-Y398 HydrophobicContact CB-CE1 4.3Å; P394-Y398 HydrophobicContact CB-CG 3.8Å; P394-Y398 HydrophobicContact CG-CD1 4.5Å
395	D	95.6	Very high	95.7	Very high	65 Å²	65	67.6 Å²	67.6	35%	0.348	36%	0.356	S	S	.	.			trans	-80.4	177.9	170.7	66.8	44.4	0	0	0	111.8	Y397 Y398 G444 G445	D395-Y397 PolarHBondContact O-N 3.16Å; D395-Y397 WeakPolarHBondContact OD1-CA 3.15Å; D395-Y397 WeakPolarHBondContact OD1-CB 3.24Å; D395-Y397 PolarHBondContact OD1-N 3.19Å; D395-Y398 PolarHBondContact O-N 2.76Å; D395-Y398 PolarHBondContact OD1-N 3Å; D395-Y398 VanDerWaalsContact OD1-N 3.15Å; D395-G444 VanDerWaalsContact OD2-CA 3.29Å; D395-G444 WeakPolarHBondContact OD2-CA 3.42Å; D395-G445 PolarHBondContact OD1-N 2.79Å; D395-G445 PolarHBondContact OD2-N 3.44Å
396	A	95.8	Very high	95.7	Very high	105 Å²	105	67.6 Å²	67.6	87%	0.868	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.1	-177.7	0	0	0	0	0	114.5
397	Y	96	Very high	95.7	Very high	100 Å²	100	63.9 Å²	63.9	39%	0.392	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-9	-179.7	-58.3	-89.7	0	0	0	112.4	D395 D399 P441	D395-Y397 PolarHBondContact O-N 3.16Å; D395-Y397 WeakPolarHBondContact OD1-CA 3.15Å; D395-Y397 WeakPolarHBondContact OD1-CB 3.24Å; D395-Y397 PolarHBondContact OD1-N 3.19Å; Y397-D399 PolarHBondContact O-N 3.41Å; Y397-P441 HydrophobicContact CD2-CG 4.08Å; Y397-P441 HydrophobicContact CE1-CG 4.06Å; Y397-P441 HydrophobicContact CE2-CG 3.55Å
398	Y	97.4	Very high	95.8	Very high	56 Å²	56	63.9 Å²	63.9	22%	0.22	34%	0.342	C	S	.	.			trans	-68.1	114.6	-175.8	178.8	-107.8	0	0	0	112.3	P387 A388 T389 Q391 P394 D395	P387-Y398 HydrophobicContact CB-CE2 4.34Å; P387-Y398 HydrophobicContact CG-CE2 4.47Å; A388-Y398 WeakPolarHBondContact O-CE2 3.1Å; A388-Y398 PolarHBondContact O-OH 3.41Å; T389-Y398 PolarHBondContact O-OH 2.63Å; Q391-Y398 HydrophobicContact CG-CD2 4.38Å; Q391-Y398 HydrophobicContact CG-CE2 4.1Å; P394-Y398 HydrophobicContact CB-CD1 3.55Å; P394-Y398 HydrophobicContact CB-CE1 4.3Å; P394-Y398 HydrophobicContact CB-CG 3.8Å; P394-Y398 HydrophobicContact CG-CD1 4.5Å; D395-Y398 PolarHBondContact O-N 2.76Å; D395-Y398 PolarHBondContact OD1-N 3Å; D395-Y398 VanDerWaalsContact OD1-N 3.15Å
399	D	96.4	Very high	95.8	Very high	75 Å²	75	68.6 Å²	68.6	40%	0.401	36%	0.36	S	S	.	.			trans	-134.5	110.9	165.1	176	4.1	0	0	0	109	Y397 N401 R402	Y397-D399 PolarHBondContact O-N 3.41Å; D399-N401 PolarHBondContact O-N 2.9Å; D399-N401 PolarHBondContact OD1-N 3.27Å; D399-N401 PolarHBondContact OD1-ND2 3.16Å; D399-R402 HydrophobicContact CB-CB 3.87Å; D399-R402 WeakPolarHBondContact O-CB 3.4Å; D399-R402 PolarHBondContact O-N 2.87Å
400	K	94.1	Very high	95.9	Very high	132 Å²	132	66.4 Å²	66.4	57%	0.574	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-19.2	180	70.2	177.1	-174	175.2	0	115.1
401	N	95.6	Very high	96	Very high	123 Å²	123	69.1 Å²	69.1	66%	0.658	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.5	179.8	-52.8	-63	0	0	0	112.9	D399 T403	D399-N401 PolarHBondContact O-N 2.9Å; D399-N401 PolarHBondContact OD1-N 3.27Å; D399-N401 PolarHBondContact OD1-ND2 3.16Å; N401-T403 PolarHBondContact O-N 2.89Å
402	R	96.2	Very high	96.4	Very high	76 Å²	76	67.4 Å²	67.4	29%	0.287	36%	0.356	S	S	.	.			trans	-75.4	126.4	-179	-178.7	168.8	-177.3	177.7	7.7	109	P387 D399 D439 Y447	P387-R402 VanDerWaalsContact CD-O 3.22Å; P387-R402 WeakPolarHBondContact CD-O 3.42Å; D399-R402 HydrophobicContact CB-CB 3.87Å; D399-R402 WeakPolarHBondContact O-CB 3.4Å; D399-R402 PolarHBondContact O-N 2.87Å; R402-D439 IonicContact CZ-OD1 2.64Å; R402-D439 IonicContact NH1-OD1 2.66Å; R402-D439 PolarHBondContact NH1-OD1 2.97Å; R402-D439 IonicContact NH2-OD1 2.91Å; R402-D439 PolarHBondContact NH2-OD1 2.88Å; R402-Y447 PolarHBondContact O-OH 3.32Å
403	T	98	Very high	96.9	Very high	75 Å²	75	66.3 Å²	66.3	46%	0.46	35%	0.351	S	S	.	.			trans	-104.2	152.2	174.4	53.4	0	0	0	0	111.4	A385 K386 N401 Y447	A385-T403 CarbonylContact O-C 3.52Å; A385-T403 WeakPolarHBondContact O-CA 3.39Å; A385-T403 WeakPolarHBondContact O-CB 3.31Å; K386-T403 HydrophobicContact CG-CG2 4.03Å; N401-T403 PolarHBondContact O-N 2.89Å; T403-Y447 WeakPolarHBondContact CA-OH 3.09Å
404	I	98	Very high	97.4	Very high	6 Å²	6	60 Å²	60	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150.6	174.8	-74.7	179.8	0	0	0	109.9	A385 E406 N436 I440 Y447 I450	A385-I404 HydrophobicContact CB-CB 4.16Å; A385-I404 WeakPolarHBondContact CB-O 3.45Å; A385-I404 PolarHBondContact N-O 2.96Å; A385-I404 VanDerWaalsContact N-O 3.16Å; A385-I404 PolarHBondContact O-N 3.2Å; I404-E406 HydrophobicContact CG2-CG 4.07Å; I404-N436 VanDerWaalsContact CG2-O 3.26Å; I404-N436 WeakPolarHBondContact CG2-O 3.47Å; I404-I440 HydrophobicContact CD1-CD1 3.83Å; I404-I440 HydrophobicContact CG1-CD1 4.39Å; I404-Y447 HydrophobicContact CB-CE1 4.16Å; I404-Y447 HydrophobicContact CD1-CD1 4.16Å; I404-Y447 HydrophobicContact CD1-CD2 3.57Å; I404-Y447 HydrophobicContact CD1-CE1 3.89Å; I404-Y447 HydrophobicContact CD1-CE2 3.33Å; I404-Y447 HydrophobicContact CD1-CG 3.96Å; I404-Y447 VanDerWaalsContact CD1-CZ 3.47Å; I404-Y447 HydrophobicContact CG1-CE1 4.15Å; I404-Y447 HydrophobicContact CG1-CE2 3.83Å; I404-Y447 PolarHBondContact N-OH 2.91Å; I404-I450 HydrophobicContact CD1-CD1 4.5Å; I404-I450 HydrophobicContact CG2-CD1 4.25Å
405	E	98.6	Very high	97.6	Very high	86 Å²	86	60.1 Å²	60.1	40%	0.402	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.5	164.8	-60.7	-175.3	135.9	0	0	108.2	Y381 A382 W383 N436 H437	Y381-E405 PolarHBondContact OH-OE1 3.32Å; Y381-E405 PolarHBondContact OH-OE2 3Å; A382-E405 CarbonylContact O-C 3.48Å; A382-E405 VanDerWaalsContact O-CA 3.27Å; A382-E405 WeakPolarHBondContact O-CA 3.48Å; W383-E405 HydrophobicContact CB-CG 4.18Å; E405-N436 CarbonylContact O-C 3.49Å; E405-N436 WeakPolarHBondContact O-CA 3.5Å; E405-H437 HydrophobicContact CB-CB 4.41Å; E405-H437 PolarHBondContact O-CD2 2.89Å
406	E	98.7	Very high	97.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.3	176	-62.1	-179.6	62.7	0	0	109.4	S347 F349 Y381 A382 I404 Y434 D435 N436 I450	S347-E406 WeakPolarHBondContact CB-OE1 3.21Å; S347-E406 PolarHBondContact OG-OE1 3.14Å; F349-E406 HydrophobicContact CD1-CB 4Å; F349-E406 HydrophobicContact CE1-CB 3.8Å; Y381-E406 CarbonylContact C-O 3.59Å; Y381-E406 WeakPolarHBondContact CA-O 3.45Å; A382-E406 HydrophobicContact CB-CB 4.23Å; A382-E406 PolarHBondContact N-O 3.36Å; A382-E406 PolarHBondContact O-N 2.95Å; I404-E406 HydrophobicContact CG2-CG 4.07Å; E406-Y434 HydrophobicContact CB-CE2 4.06Å; E406-Y434 HydrophobicContact CG-CE2 4.29Å; E406-Y434 WeakPolarHBondContact OE1-CE2 3.35Å; E406-Y434 VanDerWaalsContact OE1-CZ 3.28Å; E406-Y434 PolarHBondContact OE1-OH 3.25Å; E406-D435 CarbonylContact C-O 3.59Å; E406-D435 WeakPolarHBondContact CA-O 3.09Å; E406-N436 HydrophobicContact CG-CB 4.35Å; E406-I450 WeakPolarHBondContact OE2-CD1 3.5Å
407	S	98.8	Very high	97.8	Very high	14 Å²	14	55.3 Å²	55.3	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.4	172.2	69.2	0	0	0	0	111.5	V380 Y434 D435 H437	V380-S407 WeakPolarHBondContact O-CA 3.28Å; S407-Y434 WeakPolarHBondContact O-CA 3.46Å; S407-D435 PolarHBondContact N-O 2.89Å; S407-D435 PolarHBondContact O-N 3.09Å; S407-H437 PolarHBondContact OG-NE2 3.35Å
408	A	98.9	Very high	97.9	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.7	170.9	0	0	0	0	0	110.8	N345 F349 Y379 V380 T432 E433 Y434	N345-A408 HydrophobicContact CB-CB 3.93Å; F349-A408 HydrophobicContact CZ-CB 4.35Å; Y379-A408 CarbonylContact C-O 3.47Å; Y379-A408 VanDerWaalsContact CA-O 3.29Å; Y379-A408 WeakPolarHBondContact CA-O 3.17Å; Y379-A408 VanDerWaalsContact CD2-O 3.23Å; Y379-A408 WeakPolarHBondContact CD2-O 3.29Å; V380-A408 PolarHBondContact N-O 2.83Å; V380-A408 PolarHBondContact O-N 2.84Å; A408-T432 HydrophobicContact CB-CG2 4.13Å; A408-E433 CarbonylContact C-O 3.51Å; A408-E433 WeakPolarHBondContact CA-O 3.47Å; A408-E433 WeakPolarHBondContact CB-O 3.35Å; A408-Y434 HydrophobicContact CB-CD2 4.23Å
409	Y	98.8	Very high	97.8	Very high	101 Å²	101	57.1 Å²	57.1	40%	0.396	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.1	164	74.9	-89.5	0	0	0	110.1	S378 F431 T432 E433	S378-Y409 CarbonylContact O-C 3.52Å; S378-Y409 VanDerWaalsContact O-CA 3.23Å; S378-Y409 WeakPolarHBondContact O-CA 3.32Å; Y409-F431 HydrophobicContact CE2-CD1 4.23Å; Y409-F431 AromaticContact CE2-CE1 3.65Å; Y409-F431 HydrophobicContact CE2-CE1 3.65Å; Y409-F431 AromaticContact CZ-CE1 3.82Å; Y409-T432 WeakPolarHBondContact O-CA 3.21Å; Y409-E433 HydrophobicContact CD1-CB 3.9Å; Y409-E433 HydrophobicContact CE1-CB 3.35Å; Y409-E433 HydrophobicContact CE1-CG 4.02Å; Y409-E433 PolarHBondContact N-O 3.29Å; Y409-E433 PolarHBondContact O-N 2.83Å
410	S	98.8	Very high	97.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.6	175.7	-50.7	0	0	0	0	111.8	N345 A377 S378 F431 T432	N345-S410 PolarHBondContact ND2-OG 2.85Å; A377-S410 CarbonylContact C-O 3.29Å; A377-S410 WeakPolarHBondContact CA-O 3.13Å; S378-S410 PolarHBondContact N-O 2.81Å; S378-S410 PolarHBondContact O-N 3.39Å; S378-S410 WeakPolarHBondContact OG-CB 3.47Å; S378-S410 PolarHBondContact OG-OG 2.77Å; S410-F431 CarbonylContact C-O 3.57Å; S410-F431 WeakPolarHBondContact CA-O 3.48Å; S410-F431 VanDerWaalsContact CB-O 3.29Å; S410-F431 WeakPolarHBondContact CB-O 3.13Å; S410-T432 WeakPolarHBondContact CB-OG1 3.23Å; S410-T432 PolarHBondContact OG-OG1 2.85Å
411	L	98.9	Very high	97.8	Very high	89 Å²	89	62.9 Å²	62.9	47%	0.466	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.4	171.3	-60.6	175.2	0	0	0	108.8	A377 H430 F431	A377-L411 HydrophobicContact CB-CD2 3.82Å; L411-H430 WeakPolarHBondContact O-CA 3.44Å; L411-F431 HydrophobicContact CD1-CD1 4.31Å; L411-F431 HydrophobicContact CG-CD1 4.46Å; L411-F431 PolarHBondContact N-O 3.48Å; L411-F431 PolarHBondContact O-N 2.86Å
412	D	98.7	Very high	97.7	Very high	20 Å²	20	59.1 Å²	59.1	11%	0.107	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.3	-178.4	-71.6	-87.2	0	0	0	110.6	M362 I375 G376 K428 L429 H430	M362-D412 HydrophobicContact CE-CB 4.34Å; M362-D412 HydrophobicContact SD-CB 3.93Å; I375-D412 CarbonylContact C-O 3.58Å; I375-D412 VanDerWaalsContact CA-O 3.28Å; I375-D412 WeakPolarHBondContact CA-O 2.9Å; G376-D412 PolarHBondContact N-O 2.64Å; G376-D412 PolarHBondContact O-N 2.9Å; D412-K428 WeakPolarHBondContact OD1-CE 3.36Å; D412-K428 IonicContact OD1-NZ 3.88Å; D412-K428 PolarHBondContact OD1-NZ 3.36Å; D412-K428 VanDerWaalsContact OD1-NZ 3.11Å; D412-L429 WeakPolarHBondContact CA-O 3.44Å; D412-H430 IonicContact OD1-CE1 2.69Å; D412-H430 IonicContact OD1-CG 3.58Å; D412-H430 IonicContact OD1-ND1 3.74Å; D412-H430 PolarHBondContact OD1-ND1 2.91Å; D412-H430 IonicContact OD2-ND1 2.81Å; D412-H430 PolarHBondContact OD2-ND1 3.31Å
413	A	98.8	Very high	97.7	Very high	44 Å²	44	61.6 Å²	61.6	36%	0.364	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.2	165.8	0	0	0	0	0	108.8	I375 K428 L429	I375-A413 HydrophobicContact CG2-CB 4.45Å; A413-K428 WeakPolarHBondContact O-CA 3.3Å; A413-L429 PolarHBondContact N-O 3.12Å; A413-L429 PolarHBondContact O-N 3.08Å
414	V	98.6	Very high	97.6	Very high	20 Å²	20	59.5 Å²	59.5	12%	0.121	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.1	-175.9	-175.5	0	0	0	0	109.4	M362 F373 A374 M426 F427 K428	M362-V414 HydrophobicContact CE-CG2 4.1Å; F373-V414 CarbonylContact C-O 3.55Å; F373-V414 VanDerWaalsContact CA-O 3.29Å; F373-V414 WeakPolarHBondContact CA-O 3.29Å; A374-V414 PolarHBondContact N-O 2.89Å; A374-V414 PolarHBondContact O-N 2.67Å; V414-M426 HydrophobicContact CG1-CG 3.7Å; V414-M426 HydrophobicContact CG1-SD 3.98Å; V414-F427 CarbonylContact C-O 3.52Å; V414-F427 VanDerWaalsContact CA-O 3.3Å; V414-F427 WeakPolarHBondContact CA-O 3.04Å; V414-K428 HydrophobicContact CG2-CB 4.33Å; V414-K428 HydrophobicContact CG2-CD 4.24Å; V414-K428 HydrophobicContact CG2-CG 3.98Å
415	Y	98.6	Very high	97.6	Very high	73 Å²	73	59.9 Å²	59.9	29%	0.286	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.4	165.4	175.6	-118.6	0	0	0	110.4	G372 F373 I417 M426 F427	G372-Y415 CarbonylContact O-C 3.55Å; G372-Y415 WeakPolarHBondContact O-CA 3.49Å; F373-Y415 AromaticContact CD1-CD2 3.82Å; F373-Y415 HydrophobicContact CD1-CD2 3.82Å; F373-Y415 HydrophobicContact CD1-CG 4.13Å; F373-Y415 AromaticContact CD2-CD2 3.48Å; F373-Y415 HydrophobicContact CD2-CD2 3.48Å; F373-Y415 VanDerWaalsContact CD2-CD2 3.48Å; F373-Y415 AromaticContact CD2-CE2 3.79Å; F373-Y415 HydrophobicContact CD2-CE2 3.79Å; F373-Y415 HydrophobicContact CD2-CG 4.49Å; F373-Y415 AromaticContact CE1-CD2 3.69Å; F373-Y415 HydrophobicContact CE1-CD2 3.69Å; F373-Y415 AromaticContact CE1-CG 3.77Å; F373-Y415 HydrophobicContact CE1-CG 3.77Å; F373-Y415 AromaticContact CE2-CD2 3.34Å; F373-Y415 HydrophobicContact CE2-CD2 3.34Å; F373-Y415 AromaticContact CE2-CE2 3.44Å; F373-Y415 HydrophobicContact CE2-CE2 3.44Å; F373-Y415 VanDerWaalsContact CE2-CE2 3.44Å; F373-Y415 HydrophobicContact CE2-CG 4.17Å; F373-Y415 AromaticContact CG-CD2 3.72Å; F373-Y415 HydrophobicContact CG-CD2 3.72Å; F373-Y415 HydrophobicContact CG-CE2 4.48Å; F373-Y415 HydrophobicContact CG-CG 4.48Å; F373-Y415 HydrophobicContact CZ-CD1 4.44Å; F373-Y415 AromaticContact CZ-CD2 3.45Å; F373-Y415 HydrophobicContact CZ-CD2 3.45Å; F373-Y415 VanDerWaalsContact CZ-CD2 3.45Å; F373-Y415 AromaticContact CZ-CE2 3.85Å; F373-Y415 HydrophobicContact CZ-CE2 3.85Å; F373-Y415 AromaticContact CZ-CG 3.79Å; F373-Y415 HydrophobicContact CZ-CG 3.79Å; Y415-I417 HydrophobicContact CE1-CG1 3.9Å; Y415-M426 CarbonylContact O-C 3.53Å; Y415-M426 WeakPolarHBondContact O-CA 3.45Å; Y415-F427 AromaticContact CD1-CD2 3.93Å; Y415-F427 HydrophobicContact CD1-CD2 3.93Å; Y415-F427 HydrophobicContact CD1-CE2 4.42Å; Y415-F427 PolarHBondContact N-O 3.03Å; Y415-F427 PolarHBondContact O-N 3.35Å
416	T	98.5	Very high	97.6	Very high	34 Å²	34	58.8 Å²	58.8	21%	0.209	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.8	172.3	-58.6	0	0	0	0	109.6	G372 Q418 T425	G372-T416 PolarHBondContact O-N 3.28Å; T416-Q418 PolarHBondContact O-N 3.29Å; T416-Q418 PolarHBondContact O-NE2 2.79Å; T416-T425 CarbonylContact C-O 3.58Å; T416-T425 WeakPolarHBondContact CA-O 3.17Å
417	I	98.2	Very high	97.6	Very high	35 Å²	35	62.3 Å²	62.3	18%	0.179	33%	0.326	C	S	.	.			trans	-61.5	125.7	176.8	-61.6	-175.7	0	0	0	109.4	Y415 D419 A422 K423 G424 T425 F427	Y415-I417 HydrophobicContact CE1-CG1 3.9Å; I417-D419 VanDerWaalsContact CG2-O 3.27Å; I417-D419 WeakPolarHBondContact CG2-O 3.29Å; I417-A422 WeakPolarHBondContact CB-O 3.13Å; I417-A422 HydrophobicContact CD1-CB 3.74Å; I417-K423 WeakPolarHBondContact O-CA 3.33Å; I417-G424 PolarHBondContact O-N 3.49Å; I417-T425 HydrophobicContact CD1-CG2 4.42Å; I417-T425 PolarHBondContact N-O 2.82Å; I417-F427 HydrophobicContact CD1-CE2 3.97Å; I417-F427 HydrophobicContact CG1-CE2 4Å
418	Q	97.1	Very high	97.6	Very high	71 Å²	71	64 Å²	64	33%	0.332	33%	0.331	S	S	.	.			trans	-86.6	-31.3	-172	-62.4	-60.8	-74.1	0	0	113.8	P371 T416 K423	P371-Q418 HydrophobicContact CB-CG 4.24Å; T416-Q418 PolarHBondContact O-N 3.29Å; T416-Q418 PolarHBondContact O-NE2 2.79Å; Q418-K423 WeakPolarHBondContact O-CD 3.43Å; Q418-K423 WeakPolarHBondContact O-CE 3.35Å; Q418-K423 VanDerWaalsContact O-CG 3.32Å; Q418-K423 WeakPolarHBondContact O-CG 3.47Å; Q418-K423 PolarHBondContact O-NZ 3.21Å
419	D	96.1	Very high	97.6	Very high	123 Å²	123	68 Å²	68	66%	0.658	35%	0.352	S	S	*	.	S	Bend	trans	-144.9	166.3	-172.1	-67.9	-53.7	0	0	0	113	I417 K423	I417-D419 VanDerWaalsContact CG2-O 3.27Å; I417-D419 WeakPolarHBondContact CG2-O 3.29Å; D419-K423 IonicContact OD1-NZ 2.74Å
420	G	96	Very high	97.6	Very high	63 Å²	63	63.2 Å²	63.2	65%	0.649	33%	0.333	S	S	*	.	S	Bend	trans	84.3	-171.4	-179.6	0	0	0	0	0	113.8	A422 K423	G420-A422 PolarHBondContact O-N 3.3Å; G420-K423 VanDerWaalsContact O-CB 3.26Å; G420-K423 WeakPolarHBondContact O-CB 3.23Å; G420-K423 PolarHBondContact O-N 3.12Å; G420-K423 VanDerWaalsContact O-N 3.14Å
421	R	93.5	Very high	97.6	Very high	266 Å²	266	65.7 Å²	65.7	100%	1.004	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20	-173.7	-67	-178.3	67.3	169.5	1.4	114.3
422	A	94.7	Very high	97.6	Very high	44 Å²	44	61.4 Å²	61.4	36%	0.364	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	10.9	178.6	0	0	0	0	0	112.5	I417 G420 G424 T425	I417-A422 WeakPolarHBondContact CB-O 3.13Å; I417-A422 HydrophobicContact CD1-CB 3.74Å; G420-A422 PolarHBondContact O-N 3.3Å; A422-G424 PolarHBondContact O-N 3Å; A422-T425 WeakPolarHBondContact O-CB 3.48Å; A422-T425 PolarHBondContact O-N 2.66Å; A422-T425 PolarHBondContact O-OG1 2.89Å
423	K	96.5	Very high	97.6	Very high	128 Å²	128	62.3 Å²	62.3	56%	0.557	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	134.5	176.4	175.3	172.5	-172.5	151.8	0	110.9	I417 Q418 D419 G420 T425	I417-K423 WeakPolarHBondContact O-CA 3.33Å; Q418-K423 WeakPolarHBondContact O-CD 3.43Å; Q418-K423 WeakPolarHBondContact O-CE 3.35Å; Q418-K423 VanDerWaalsContact O-CG 3.32Å; Q418-K423 WeakPolarHBondContact O-CG 3.47Å; Q418-K423 PolarHBondContact O-NZ 3.21Å; D419-K423 IonicContact OD1-NZ 2.74Å; G420-K423 VanDerWaalsContact O-CB 3.26Å; G420-K423 WeakPolarHBondContact O-CB 3.23Å; G420-K423 PolarHBondContact O-N 3.12Å; G420-K423 VanDerWaalsContact O-N 3.14Å; K423-T425 VanDerWaalsContact C-N 3.3Å
424	G	95.3	Very high	97.6	Very high	31 Å²	31	60.2 Å²	60.2	32%	0.32	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-8.3	-176.5	0	0	0	0	0	114.3	I417 A422 M426	I417-G424 PolarHBondContact O-N 3.49Å; A422-G424 PolarHBondContact O-N 3Å; G424-M426 PolarHBondContact O-N 2.82Å
425	T	98.3	Very high	97.6	Very high	13 Å²	13	61.9 Å²	61.9	8%	0.08	32%	0.316	C	S	.	.			trans	-64.4	124.4	170.5	-58	0	0	0	0	109.7	T416 I417 A422 K423 F427 V461 I462 A463	T416-T425 CarbonylContact C-O 3.58Å; T416-T425 WeakPolarHBondContact CA-O 3.17Å; I417-T425 HydrophobicContact CD1-CG2 4.42Å; I417-T425 PolarHBondContact N-O 2.82Å; A422-T425 WeakPolarHBondContact O-CB 3.48Å; A422-T425 PolarHBondContact O-N 2.66Å; A422-T425 PolarHBondContact O-OG1 2.89Å; K423-T425 VanDerWaalsContact C-N 3.3Å; T425-F427 HydrophobicContact CG2-CE2 3.83Å; T425-F427 HydrophobicContact CG2-CZ 3.98Å; T425-V461 HydrophobicContact CG2-CG1 3.95Å; T425-I462 CarbonylContact C-O 3.57Å; T425-I462 VanDerWaalsContact CA-O 3.27Å; T425-I462 WeakPolarHBondContact CA-O 3.27Å; T425-A463 HydrophobicContact CG2-CB 3.82Å
426	M	98.5	Very high	97.5	Very high	64 Å²	64	58.6 Å²	58.6	32%	0.315	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.2	179.8	-174.7	-172.7	-61	0	0	110.5	V414 Y415 G424 V461 I462	V414-M426 HydrophobicContact CG1-CG 3.7Å; V414-M426 HydrophobicContact CG1-SD 3.98Å; Y415-M426 CarbonylContact O-C 3.53Å; Y415-M426 WeakPolarHBondContact O-CA 3.45Å; G424-M426 PolarHBondContact O-N 2.82Å; M426-V461 CarbonylContact O-C 3.6Å; M426-V461 VanDerWaalsContact O-CA 3.27Å; M426-V461 WeakPolarHBondContact O-CA 3.22Å; M426-I462 HydrophobicContact CB-CB 4.36Å; M426-I462 PolarHBondContact N-O 3.25Å; M426-I462 PolarHBondContact O-N 3.49Å
427	F	98.7	Very high	97.5	Very high	73 Å²	73	61.5 Å²	61.5	32%	0.32	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126	166.4	-58	-94.8	0	0	0	107.2	V414 Y415 I417 T425 F459 M460 V461	V414-F427 CarbonylContact C-O 3.52Å; V414-F427 VanDerWaalsContact CA-O 3.3Å; V414-F427 WeakPolarHBondContact CA-O 3.04Å; Y415-F427 AromaticContact CD1-CD2 3.93Å; Y415-F427 HydrophobicContact CD1-CD2 3.93Å; Y415-F427 HydrophobicContact CD1-CE2 4.42Å; Y415-F427 PolarHBondContact N-O 3.03Å; Y415-F427 PolarHBondContact O-N 3.35Å; I417-F427 HydrophobicContact CD1-CE2 3.97Å; I417-F427 HydrophobicContact CG1-CE2 4Å; T425-F427 HydrophobicContact CG2-CE2 3.83Å; T425-F427 HydrophobicContact CG2-CZ 3.98Å; F427-F459 HydrophobicContact CB-CE2 4.39Å; F427-F459 HydrophobicContact CD1-CZ 4.01Å; F427-M460 CarbonylContact C-O 3.44Å; F427-M460 WeakPolarHBondContact CA-O 3.17Å; F427-V461 HydrophobicContact CD1-CB 4.46Å; F427-V461 HydrophobicContact CD1-CG1 4.08Å; F427-V461 HydrophobicContact CD1-CG2 3.71Å; F427-V461 HydrophobicContact CE1-CG1 3.82Å; F427-V461 HydrophobicContact CE1-CG2 3.95Å; F427-V461 HydrophobicContact CZ-CG1 4.31Å
428	K	98.5	Very high	97.4	Very high	50 Å²	50	60.4 Å²	60.4	22%	0.217	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.5	179.6	178.5	171.1	-173.6	-164.8	0	109.7	D412 A413 V414 F459 M460	D412-K428 WeakPolarHBondContact OD1-CE 3.36Å; D412-K428 IonicContact OD1-NZ 3.88Å; D412-K428 PolarHBondContact OD1-NZ 3.36Å; D412-K428 VanDerWaalsContact OD1-NZ 3.11Å; A413-K428 WeakPolarHBondContact O-CA 3.3Å; V414-K428 HydrophobicContact CG2-CB 4.33Å; V414-K428 HydrophobicContact CG2-CD 4.24Å; V414-K428 HydrophobicContact CG2-CG 3.98Å; K428-F459 CarbonylContact O-C 3.5Å; K428-F459 WeakPolarHBondContact O-CA 3.44Å; K428-M460 HydrophobicContact CB-CB 4.48Å; K428-M460 HydrophobicContact CB-CE 4.35Å; K428-M460 HydrophobicContact CD-CE 3.79Å; K428-M460 HydrophobicContact CG-CE 3.98Å; K428-M460 PolarHBondContact N-O 3.2Å; K428-M460 PolarHBondContact O-N 3.08Å
429	L	98.8	Very high	97.3	Very high	85 Å²	85	61.6 Å²	61.6	45%	0.445	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128	163.6	-176.4	66.4	0	0	0	107.7	D412 A413 V457 K458 F459	D412-L429 WeakPolarHBondContact CA-O 3.44Å; A413-L429 PolarHBondContact N-O 3.12Å; A413-L429 PolarHBondContact O-N 3.08Å; L429-V457 HydrophobicContact CD1-CG1 3.97Å; L429-K458 WeakPolarHBondContact CA-O 3.44Å; L429-F459 HydrophobicContact CD1-CB 4.28Å
430	H	98.7	Very high	97.4	Very high	2 Å²	2	56 Å²	56	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.4	179.4	173.8	90.3	0	0	0	108.8	D344 L411 D412 T432 V457 K458 M460	D344-H430 PolarHBondContact O-NE2 2.82Å; D344-H430 IonicContact OD2-CE1 2.88Å; D344-H430 IonicContact OD2-ND1 3.21Å; D344-H430 IonicContact OD2-NE2 3.63Å; L411-H430 WeakPolarHBondContact O-CA 3.44Å; D412-H430 IonicContact OD1-CE1 2.69Å; D412-H430 IonicContact OD1-CG 3.58Å; D412-H430 IonicContact OD1-ND1 3.74Å; D412-H430 PolarHBondContact OD1-ND1 2.91Å; D412-H430 IonicContact OD2-ND1 2.81Å; D412-H430 PolarHBondContact OD2-ND1 3.31Å; H430-T432 PolarHBondContact CE1-OG1 2.72Å; H430-T432 PolarHBondContact NE2-OG1 2.84Å; H430-V457 WeakPolarHBondContact O-CA 3.34Å; H430-K458 HydrophobicContact CB-CB 4.43Å; H430-K458 WeakPolarHBondContact CD2-CE 3.45Å; H430-K458 PolarHBondContact N-O 2.93Å; H430-K458 PolarHBondContact O-N 3.44Å; H430-M460 HydrophobicContact CB-CE 4.47Å
431	F	98.7	Very high	97.4	Very high	51 Å²	51	54.2 Å²	54.2	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.9	174.1	168.3	-104.3	0	0	0	109.1	Y409 S410 L411 E433 D456 V457	Y409-F431 HydrophobicContact CE2-CD1 4.23Å; Y409-F431 AromaticContact CE2-CE1 3.65Å; Y409-F431 HydrophobicContact CE2-CE1 3.65Å; Y409-F431 AromaticContact CZ-CE1 3.82Å; S410-F431 CarbonylContact C-O 3.57Å; S410-F431 WeakPolarHBondContact CA-O 3.48Å; S410-F431 VanDerWaalsContact CB-O 3.29Å; S410-F431 WeakPolarHBondContact CB-O 3.13Å; L411-F431 HydrophobicContact CD1-CD1 4.31Å; L411-F431 HydrophobicContact CG-CD1 4.46Å; L411-F431 PolarHBondContact N-O 3.48Å; L411-F431 PolarHBondContact O-N 2.86Å; F431-E433 HydrophobicContact CE1-CB 4.37Å; F431-E433 HydrophobicContact CZ-CB 4.16Å; F431-D456 CarbonylContact C-O 3.55Å; F431-D456 VanDerWaalsContact CA-O 3.3Å; F431-D456 WeakPolarHBondContact CA-O 3.3Å; F431-D456 WeakPolarHBondContact CD2-O 3.38Å; F431-V457 HydrophobicContact CD2-CG2 3.74Å; F431-V457 HydrophobicContact CE2-CG2 4.41Å
432	T	98.8	Very high	97.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.2	169.4	-64.4	0	0	0	0	111	R346 A408 Y409 S410 H430 D456	R346-T432 HydrophobicContact CG-CG2 3.7Å; A408-T432 HydrophobicContact CB-CG2 4.13Å; Y409-T432 WeakPolarHBondContact O-CA 3.21Å; S410-T432 WeakPolarHBondContact CB-OG1 3.23Å; S410-T432 PolarHBondContact OG-OG1 2.85Å; H430-T432 PolarHBondContact CE1-OG1 2.72Å; H430-T432 PolarHBondContact NE2-OG1 2.84Å; T432-D456 PolarHBondContact N-O 2.96Å; T432-D456 PolarHBondContact O-N 2.83Å
433	E	98.7	Very high	97.6	Very high	38 Å²	38	46.7 Å²	46.7	18%	0.178	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.7	159.7	-165.6	90.3	-175.7	0	0	107.7	A408 Y409 F431 E454 R455	A408-E433 CarbonylContact C-O 3.51Å; A408-E433 WeakPolarHBondContact CA-O 3.47Å; A408-E433 WeakPolarHBondContact CB-O 3.35Å; Y409-E433 HydrophobicContact CD1-CB 3.9Å; Y409-E433 HydrophobicContact CE1-CB 3.35Å; Y409-E433 HydrophobicContact CE1-CG 4.02Å; Y409-E433 PolarHBondContact N-O 3.29Å; Y409-E433 PolarHBondContact O-N 2.83Å; F431-E433 HydrophobicContact CE1-CB 4.37Å; F431-E433 HydrophobicContact CZ-CB 4.16Å; E433-E454 WeakPolarHBondContact CA-O 2.91Å; E433-R455 WeakPolarHBondContact OE1-CG 3.31Å; E433-R455 IonicContact OE1-CZ 2.71Å; E433-R455 IonicContact OE1-NE 2.69Å; E433-R455 PolarHBondContact OE1-NE 2.85Å; E433-R455 IonicContact OE1-NH2 3.72Å; E433-R455 WeakPolarHBondContact OE2-CG 3.2Å; E433-R455 IonicContact OE2-NE 3.65Å
434	Y	98.8	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.8	177.1	163.9	-97	0	0	0	109.8	R346 S347 F349 E406 S407 A408 N436 F451 D453 E454	R346-Y434 HydrophobicContact CB-CG 4.17Å; S347-Y434 VanDerWaalsContact CB-CE2 3.45Å; F349-Y434 HydrophobicContact CE1-CE2 4.35Å; E406-Y434 HydrophobicContact CB-CE2 4.06Å; E406-Y434 HydrophobicContact CG-CE2 4.29Å; E406-Y434 WeakPolarHBondContact OE1-CE2 3.35Å; E406-Y434 VanDerWaalsContact OE1-CZ 3.28Å; E406-Y434 PolarHBondContact OE1-OH 3.25Å; S407-Y434 WeakPolarHBondContact O-CA 3.46Å; A408-Y434 HydrophobicContact CB-CD2 4.23Å; Y434-N436 HydrophobicContact CE1-CB 4.15Å; Y434-N436 WeakPolarHBondContact OH-CB 3.24Å; Y434-F451 HydrophobicContact CD1-CD2 4.13Å; Y434-F451 AromaticContact CD1-CE2 3.7Å; Y434-F451 HydrophobicContact CD1-CE2 3.7Å; Y434-F451 AromaticContact CE1-CD2 3.76Å; Y434-F451 HydrophobicContact CE1-CD2 3.76Å; Y434-F451 AromaticContact CE1-CE2 3.61Å; Y434-F451 HydrophobicContact CE1-CE2 3.61Å; Y434-F451 HydrophobicContact CE1-CZ 4.43Å; Y434-F451 WeakPolarHBondContact CE1-O 3.45Å; Y434-F451 HydrophobicContact CG-CE2 4.44Å; Y434-F451 PolarHBondContact OH-O 3.33Å; Y434-D453 CarbonylContact O-C 3.57Å; Y434-D453 WeakPolarHBondContact O-CA 3.43Å; Y434-D453 WeakPolarHBondContact O-CB 3.43Å; Y434-E454 HydrophobicContact CD1-CB 4.38Å; Y434-E454 PolarHBondContact N-O 3.18Å; Y434-E454 PolarHBondContact O-N 3.32Å
435	D	98.4	Very high	97.6	Very high	55 Å²	55	39.5 Å²	39.5	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.4	179.9	-168.2	-28.9	0	0	0	108.9	E406 S407 H437 D453	E406-D435 CarbonylContact C-O 3.59Å; E406-D435 WeakPolarHBondContact CA-O 3.09Å; S407-D435 PolarHBondContact N-O 2.89Å; S407-D435 PolarHBondContact O-N 3.09Å; D435-H437 WeakPolarHBondContact OD1-CA 3.06Å; D435-H437 IonicContact OD1-CD2 2.8Å; D435-H437 IonicContact OD1-CE1 3.83Å; D435-H437 IonicContact OD1-CG 2.74Å; D435-H437 PolarHBondContact OD1-N 3.13Å; D435-H437 IonicContact OD1-ND1 3.68Å; D435-H437 IonicContact OD2-CE1 2.92Å; D435-H437 IonicContact OD2-ND1 3.92Å; D435-D453 WeakPolarHBondContact CA-OD1 3.34Å
436	N	97.2	Very high	97.6	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.193	C	C	.	.			trans	-103.1	7.4	177.3	84.9	8.4	0	0	0	113.7	I404 E405 E406 Y434 S438 I450 F451 Q452 D453	I404-N436 VanDerWaalsContact CG2-O 3.26Å; I404-N436 WeakPolarHBondContact CG2-O 3.47Å; E405-N436 CarbonylContact O-C 3.49Å; E405-N436 WeakPolarHBondContact O-CA 3.5Å; E406-N436 HydrophobicContact CG-CB 4.35Å; Y434-N436 HydrophobicContact CE1-CB 4.15Å; Y434-N436 WeakPolarHBondContact OH-CB 3.24Å; N436-S438 PolarHBondContact ND2-OG 3.23Å; N436-S438 PolarHBondContact O-N 2.95Å; N436-S438 WeakPolarHBondContact OD1-CB 3.07Å; N436-S438 PolarHBondContact OD1-N 3.03Å; N436-S438 PolarHBondContact OD1-O 2.94Å; N436-S438 PolarHBondContact OD1-OG 3.22Å; N436-I450 HydrophobicContact CB-CG2 4.08Å; N436-F451 PolarHBondContact ND2-O 3.24Å; N436-Q452 WeakPolarHBondContact ND2-CA 3.34Å; N436-Q452 PolarHBondContact ND2-NE2 2.78Å; N436-Q452 PolarHBondContact OD1-NE2 3Å; N436-D453 PolarHBondContact N-OD1 3.25Å
437	H	97.7	Very high	97.5	Very high	95 Å²	95	36.2 Å²	36.2	44%	0.44	18%	0.179	S	C	.	.			trans	51.2	27.2	174.1	-58.9	-75.8	0	0	0	114.8	E405 S407 D435	E405-H437 HydrophobicContact CB-CB 4.41Å; E405-H437 PolarHBondContact O-CD2 2.89Å; S407-H437 PolarHBondContact OG-NE2 3.35Å; D435-H437 WeakPolarHBondContact OD1-CA 3.06Å; D435-H437 IonicContact OD1-CD2 2.8Å; D435-H437 IonicContact OD1-CE1 3.83Å; D435-H437 IonicContact OD1-CG 2.74Å; D435-H437 PolarHBondContact OD1-N 3.13Å; D435-H437 IonicContact OD1-ND1 3.68Å; D435-H437 IonicContact OD2-CE1 2.92Å; D435-H437 IonicContact OD2-ND1 3.92Å
438	S	96.5	Very high	97.3	Very high	13 Å²	13	34.4 Å²	34.4	9%	0.091	18%	0.181	C	C	.	.	S	Bend	trans	-134.8	162.3	-175.2	84.3	0	0	0	0	112.9	N436 I440 Q452	N436-S438 PolarHBondContact ND2-OG 3.23Å; N436-S438 PolarHBondContact O-N 2.95Å; N436-S438 WeakPolarHBondContact OD1-CB 3.07Å; N436-S438 PolarHBondContact OD1-N 3.03Å; N436-S438 PolarHBondContact OD1-O 2.94Å; N436-S438 PolarHBondContact OD1-OG 3.22Å; S438-I440 PolarHBondContact OG-N 2.82Å; S438-Q452 PolarHBondContact O-NE2 3.09Å; S438-Q452 PolarHBondContact OG-NE2 3.07Å
439	D	95.5	Very high	97.2	Very high	96 Å²	96	33.2 Å²	33.2	51%	0.513	18%	0.177	S	C	.	.			trans	-99.9	18.1	171.7	66	-6.6	0	0	0	112.5	R402	R402-D439 IonicContact CZ-OD1 2.64Å; R402-D439 IonicContact NH1-OD1 2.66Å; R402-D439 PolarHBondContact NH1-OD1 2.97Å; R402-D439 IonicContact NH2-OD1 2.91Å; R402-D439 PolarHBondContact NH2-OD1 2.88Å
440	I	96.8	Very high	97.1	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-89.5	127	-177.1	-64.2	166.6	0	0	0	109.3	I404 S438 G444 Y447 Q452	I404-I440 HydrophobicContact CD1-CD1 3.83Å; I404-I440 HydrophobicContact CG1-CD1 4.39Å; S438-I440 PolarHBondContact OG-N 2.82Å; I440-G444 VanDerWaalsContact CG2-C 3.4Å; I440-G444 WeakPolarHBondContact CG2-O 3.31Å; I440-Y447 HydrophobicContact CD1-CD2 4.18Å; I440-Y447 HydrophobicContact CD1-CE2 3.91Å; I440-Q452 VanDerWaalsContact O-CG 3.3Å; I440-Q452 WeakPolarHBondContact O-CG 3.48Å; I440-Q452 PolarHBondContact O-NE2 3.05Å
441	P	96.9	Very high	97.1	Very high	26 Å²	26	29.9 Å²	29.9	17%	0.169	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-55	153.8	175.6	-24.6	33.9	0	0	0	112.5	V57 T58 Y397 W443 G444	V57-P441 HydrophobicContact CG2-CB 4.21Å; V57-P441 HydrophobicContact CG2-CG 3.9Å; T58-P441 HydrophobicContact CG2-CB 4.15Å; T58-P441 HydrophobicContact CG2-CG 3.63Å; Y397-P441 HydrophobicContact CD2-CG 4.08Å; Y397-P441 HydrophobicContact CE1-CG 4.06Å; Y397-P441 HydrophobicContact CE2-CG 3.55Å; P441-W443 PolarHBondContact O-N 3.21Å; P441-G444 WeakPolarHBondContact O-CA 3.22Å; P441-G444 PolarHBondContact O-N 2.85Å
442	S	96.3	Very high	97	Very high	36 Å²	36	27.5 Å²	27.5	25%	0.252	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	131.7	177.8	-64.2	0	0	0	0	111.3	R54 G444 Q452	R54-S442 WeakPolarHBondContact CD-OG 3.14Å; S442-G444 PolarHBondContact O-N 3.04Å; S442-G444 VanDerWaalsContact O-N 3.16Å; S442-Q452 PolarHBondContact OG-N 3.1Å
443	W	95	Very high	97	Very high	116 Å²	116	27.8 Å²	27.8	44%	0.439	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	7.3	-177.7	-35.6	117.1	0	0	0	115.7	P441 Y447 N449 I450 F451	P441-W443 PolarHBondContact O-N 3.21Å; W443-Y447 CarbonylContact C-O 3.59Å; W443-Y447 VanDerWaalsContact CA-O 3.32Å; W443-Y447 WeakPolarHBondContact CA-O 3.48Å; W443-N449 HydrophobicContact CZ3-CB 4.39Å; W443-I450 WeakPolarHBondContact CA-O 3.29Å; W443-I450 PolarHBondContact N-O 2.88Å; W443-F451 HydrophobicContact CH2-CB 4.31Å; W443-F451 AromaticContact CH2-CD1 3.53Å; W443-F451 HydrophobicContact CH2-CD1 3.53Å; W443-F451 HydrophobicContact CH2-CE1 4.36Å; W443-F451 HydrophobicContact CH2-CG 4.37Å; W443-F451 HydrophobicContact CZ2-CB 4.25Å; W443-F451 HydrophobicContact CZ2-CD1 4.11Å; W443-F451 HydrophobicContact CZ3-CB 4.46Å; W443-F451 AromaticContact CZ3-CD1 3.89Å; W443-F451 HydrophobicContact CZ3-CD1 3.89Å
444	G	96.6	Very high	97	Very high	7 Å²	7	26 Å²	26	7%	0.072	14%	0.142	C	C	.	.			trans	-88	175.5	-179.8	0	0	0	0	0	113.5	D395 I440 P441 S442 G446 Y447	D395-G444 VanDerWaalsContact OD2-CA 3.29Å; D395-G444 WeakPolarHBondContact OD2-CA 3.42Å; I440-G444 VanDerWaalsContact CG2-C 3.4Å; I440-G444 WeakPolarHBondContact CG2-O 3.31Å; P441-G444 WeakPolarHBondContact O-CA 3.22Å; P441-G444 PolarHBondContact O-N 2.85Å; S442-G444 PolarHBondContact O-N 3.04Å; S442-G444 VanDerWaalsContact O-N 3.16Å; G444-G446 PolarHBondContact O-N 3.37Å; G444-G446 VanDerWaalsContact O-N 3.13Å; G444-Y447 PolarHBondContact O-N 3.15Å
445	G	97	Very high	97	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	17.9	172.1	0	0	0	0	0	114.7	P387 D395	P387-G445 VanDerWaalsContact CB-O 3.27Å; P387-G445 WeakPolarHBondContact CB-O 3.48Å; D395-G445 PolarHBondContact OD1-N 2.79Å; D395-G445 PolarHBondContact OD2-N 3.44Å
446	G	97.4	Very high	97	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	5.6	-174.5	0	0	0	0	0	114.8	P387 A388 G444 G448	P387-G446 WeakPolarHBondContact CA-O 3.27Å; A388-G446 PolarHBondContact N-O 2.83Å; G444-G446 PolarHBondContact O-N 3.37Å; G444-G446 VanDerWaalsContact O-N 3.13Å; G446-G448 PolarHBondContact O-N 3.03Å
447	Y	97.5	Very high	97	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.027	16%	0.164	C	C	.	.			trans	-92.7	73.6	175.9	-66.6	-82.3	0	0	0	111.3	A385 P387 R402 T403 I404 I440 W443 G444 N449 I450	A385-Y447 HydrophobicContact CB-CE1 4.29Å; A385-Y447 PolarHBondContact O-OH 2.84Å; A385-Y447 VanDerWaalsContact O-OH 3.08Å; P387-Y447 HydrophobicContact CB-CD1 4.46Å; P387-Y447 HydrophobicContact CB-CD2 4.15Å; P387-Y447 HydrophobicContact CB-CE1 4.35Å; P387-Y447 HydrophobicContact CB-CE2 3.94Å; P387-Y447 HydrophobicContact CB-CG 4.41Å; P387-Y447 WeakPolarHBondContact CD-OH 3.41Å; P387-Y447 HydrophobicContact CG-CE2 4.4Å; R402-Y447 PolarHBondContact O-OH 3.32Å; T403-Y447 WeakPolarHBondContact CA-OH 3.09Å; I404-Y447 HydrophobicContact CB-CE1 4.16Å; I404-Y447 HydrophobicContact CD1-CD1 4.16Å; I404-Y447 HydrophobicContact CD1-CD2 3.57Å; I404-Y447 HydrophobicContact CD1-CE1 3.89Å; I404-Y447 HydrophobicContact CD1-CE2 3.33Å; I404-Y447 HydrophobicContact CD1-CG 3.96Å; I404-Y447 VanDerWaalsContact CD1-CZ 3.47Å; I404-Y447 HydrophobicContact CG1-CE1 4.15Å; I404-Y447 HydrophobicContact CG1-CE2 3.83Å; I404-Y447 PolarHBondContact N-OH 2.91Å; I440-Y447 HydrophobicContact CD1-CD2 4.18Å; I440-Y447 HydrophobicContact CD1-CE2 3.91Å; W443-Y447 CarbonylContact C-O 3.59Å; W443-Y447 VanDerWaalsContact CA-O 3.32Å; W443-Y447 WeakPolarHBondContact CA-O 3.48Å; G444-Y447 PolarHBondContact O-N 3.15Å; Y447-N449 PolarHBondContact O-N 2.96Å; Y447-I450 HydrophobicContact CD1-CD1 3.35Å; Y447-I450 HydrophobicContact CD1-CG1 4.09Å; Y447-I450 HydrophobicContact CE1-CD1 3.87Å; Y447-I450 HydrophobicContact CG-CD1 4.04Å; Y447-I450 HydrophobicContact CG-CG1 4.49Å; Y447-I450 PolarHBondContact O-N 2.95Å
448	G	93.7	Very high	97	Very high	34 Å²	34	27 Å²	27	35%	0.351	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.5	-174.3	0	0	0	0	0	115.6	Y323 G446	Y323-G448 VanDerWaalsContact CE1-C 3.48Å; G446-G448 PolarHBondContact O-N 3.03Å
449	N	96.1	Very high	97.1	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.134	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	23.5	174.6	-155	49.1	0	0	0	114.7	Y323 D348 N350 W443 Y447	Y323-N449 HydrophobicContact CD1-CB 3.52Å; Y323-N449 HydrophobicContact CD2-CB 3.47Å; Y323-N449 VanDerWaalsContact CD2-CB 3.47Å; Y323-N449 HydrophobicContact CE1-CB 3.78Å; Y323-N449 HydrophobicContact CE2-CB 3.69Å; Y323-N449 HydrophobicContact CG-CB 3.38Å; D348-N449 PolarHBondContact OD2-ND2 3.22Å; N350-N449 PolarHBondContact ND2-ND2 3.45Å; N350-N449 PolarHBondContact OD1-ND2 3.18Å; W443-N449 HydrophobicContact CZ3-CB 4.39Å; Y447-N449 PolarHBondContact O-N 2.96Å
450	I	97.7	Very high	97.3	Very high	5 Å²	5	26 Å²	26	3%	0.026	13%	0.133	C	C	.	.			trans	-114.7	132	168.9	-56.3	-177.5	0	0	0	109.4	A351 A385 I404 E406 N436 W443 Y447	A351-I450 HydrophobicContact CB-CD1 3.96Å; A351-I450 HydrophobicContact CB-CG1 4.42Å; A385-I450 HydrophobicContact CB-CD1 4.13Å; I404-I450 HydrophobicContact CD1-CD1 4.5Å; I404-I450 HydrophobicContact CG2-CD1 4.25Å; E406-I450 WeakPolarHBondContact OE2-CD1 3.5Å; N436-I450 HydrophobicContact CB-CG2 4.08Å; W443-I450 WeakPolarHBondContact CA-O 3.29Å; W443-I450 PolarHBondContact N-O 2.88Å; Y447-I450 HydrophobicContact CD1-CD1 3.35Å; Y447-I450 HydrophobicContact CD1-CG1 4.09Å; Y447-I450 HydrophobicContact CE1-CD1 3.87Å; Y447-I450 HydrophobicContact CG-CD1 4.04Å; Y447-I450 HydrophobicContact CG-CG1 4.49Å; Y447-I450 PolarHBondContact O-N 2.95Å
451	F	97.1	Very high	97.4	Very high	13 Å²	13	26.9 Å²	26.9	6%	0.057	14%	0.139	C	C	.	.			trans	-110	169.5	173.4	49	-90.4	0	0	0	111	R346 Y434 N436 W443 E454	R346-F451 HydrophobicContact CB-CE2 4.12Å; R346-F451 HydrophobicContact CB-CZ 3.95Å; R346-F451 WeakPolarHBondContact O-CZ 3.34Å; Y434-F451 HydrophobicContact CD1-CD2 4.13Å; Y434-F451 AromaticContact CD1-CE2 3.7Å; Y434-F451 HydrophobicContact CD1-CE2 3.7Å; Y434-F451 AromaticContact CE1-CD2 3.76Å; Y434-F451 HydrophobicContact CE1-CD2 3.76Å; Y434-F451 AromaticContact CE1-CE2 3.61Å; Y434-F451 HydrophobicContact CE1-CE2 3.61Å; Y434-F451 HydrophobicContact CE1-CZ 4.43Å; Y434-F451 WeakPolarHBondContact CE1-O 3.45Å; Y434-F451 HydrophobicContact CG-CE2 4.44Å; Y434-F451 PolarHBondContact OH-O 3.33Å; N436-F451 PolarHBondContact ND2-O 3.24Å; W443-F451 HydrophobicContact CH2-CB 4.31Å; W443-F451 AromaticContact CH2-CD1 3.53Å; W443-F451 HydrophobicContact CH2-CD1 3.53Å; W443-F451 HydrophobicContact CH2-CE1 4.36Å; W443-F451 HydrophobicContact CH2-CG 4.37Å; W443-F451 HydrophobicContact CZ2-CB 4.25Å; W443-F451 HydrophobicContact CZ2-CD1 4.11Å; W443-F451 HydrophobicContact CZ3-CB 4.46Å; W443-F451 AromaticContact CZ3-CD1 3.89Å; W443-F451 HydrophobicContact CZ3-CD1 3.89Å; F451-E454 HydrophobicContact CD2-CG 3.97Å; F451-E454 HydrophobicContact CE2-CG 3.99Å; F451-E454 WeakPolarHBondContact CE2-OE2 3.44Å
452	Q	97.6	Very high	97.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.144	C	C	.	.			trans	-75.2	169.4	178.2	-89.1	-69.3	-43.1	0	0	113	R54 K55 V57 N436 S438 I440 S442	R54-Q452 HydrophobicContact CG-CB 4.33Å; K55-Q452 HydrophobicContact CB-CB 4.47Å; K55-Q452 VanDerWaalsContact O-CB 3.22Å; K55-Q452 WeakPolarHBondContact O-CB 3.27Å; V57-Q452 VanDerWaalsContact CG1-CD 3.49Å; V57-Q452 HydrophobicContact CG1-CG 4.05Å; V57-Q452 VanDerWaalsContact CG1-OE1 3.27Å; V57-Q452 HydrophobicContact CG2-CG 4.43Å; N436-Q452 WeakPolarHBondContact ND2-CA 3.34Å; N436-Q452 PolarHBondContact ND2-NE2 2.78Å; N436-Q452 PolarHBondContact OD1-NE2 3Å; S438-Q452 PolarHBondContact O-NE2 3.09Å; S438-Q452 PolarHBondContact OG-NE2 3.07Å; I440-Q452 VanDerWaalsContact O-CG 3.3Å; I440-Q452 WeakPolarHBondContact O-CG 3.48Å; I440-Q452 PolarHBondContact O-NE2 3.05Å; S442-Q452 PolarHBondContact OG-N 3.1Å
453	D	98.5	Very high	97.5	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.032	14%	0.141	C	C	.	.			trans	-46.6	140.1	-176.9	-47.4	-13.7	0	0	0	112.4	R54 K55 Y63 Y434 D435 N436	R54-D453 CarbonylContact C-O 3.56Å; R54-D453 WeakPolarHBondContact CA-O 3.32Å; K55-D453 HydrophobicContact CB-CB 3.96Å; K55-D453 HydrophobicContact CD-CB 3.94Å; K55-D453 WeakPolarHBondContact CD-OD2 3.22Å; K55-D453 PolarHBondContact N-O 2.8Å; K55-D453 IonicContact NZ-OD2 3.75Å; K55-D453 PolarHBondContact NZ-OD2 3.15Å; Y63-D453 HydrophobicContact CE1-CB 4.44Å; Y63-D453 WeakPolarHBondContact OH-CB 3.43Å; Y434-D453 CarbonylContact O-C 3.57Å; Y434-D453 WeakPolarHBondContact O-CA 3.43Å; Y434-D453 WeakPolarHBondContact O-CB 3.43Å; D435-D453 WeakPolarHBondContact CA-OD1 3.34Å; N436-D453 PolarHBondContact N-OD1 3.25Å
454	E	98.4	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.2	-177.8	-75.6	-172.9	158.3	0	0	113	R52 D53 R54 R346 E433 Y434 F451	R52-E454 WeakPolarHBondContact CD-OE2 3.32Å; R52-E454 IonicContact CZ-OE1 2.88Å; R52-E454 IonicContact NE-OE1 3.74Å; D53-E454 VanDerWaalsContact O-CA 3.27Å; D53-E454 WeakPolarHBondContact O-CA 3.36Å; R54-E454 HydrophobicContact CB-CG 3.91Å; R54-E454 HydrophobicContact CG-CG 3.83Å; R54-E454 IonicContact CZ-OE1 2.8Å; R54-E454 IonicContact NE-OE1 3.96Å; R54-E454 PolarHBondContact NE-OE1 3.22Å; R54-E454 IonicContact NH2-OE1 3.68Å; R54-E454 PolarHBondContact NH2-OE1 3.45Å; R346-E454 IonicContact CZ-OE2 3.97Å; R346-E454 IonicContact NE-OE2 2.66Å; R346-E454 PolarHBondContact NE-OE2 3.08Å; R346-E454 IonicContact NH2-OE1 3.82Å; R346-E454 IonicContact NH2-OE2 2.93Å; R346-E454 PolarHBondContact NH2-OE2 2.9Å; E433-E454 WeakPolarHBondContact CA-O 2.91Å; Y434-E454 HydrophobicContact CD1-CB 4.38Å; Y434-E454 PolarHBondContact N-O 3.18Å; Y434-E454 PolarHBondContact O-N 3.32Å; F451-E454 HydrophobicContact CD2-CG 3.97Å; F451-E454 HydrophobicContact CE2-CG 3.99Å; F451-E454 WeakPolarHBondContact CE2-OE2 3.44Å
455	R	98.5	Very high	97.5	Very high	113 Å²	113	28.4 Å²	28.4	43%	0.426	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.3	167.1	-63	-174.7	174.7	152.6	6.5	107.8	R52 D53 Y63 E433	R52-R455 CarbonylContact C-O 3.59Å; R52-R455 VanDerWaalsContact CA-O 3.25Å; R52-R455 WeakPolarHBondContact CA-O 3.38Å; D53-R455 PolarHBondContact N-O 3.24Å; D53-R455 PolarHBondContact O-N 3.12Å; Y63-R455 HydrophobicContact CD1-CG 4.21Å; Y63-R455 HydrophobicContact CE1-CG 3.82Å; E433-R455 WeakPolarHBondContact OE1-CG 3.31Å; E433-R455 IonicContact OE1-CZ 2.71Å; E433-R455 IonicContact OE1-NE 2.69Å; E433-R455 PolarHBondContact OE1-NE 2.85Å; E433-R455 IonicContact OE1-NH2 3.72Å; E433-R455 WeakPolarHBondContact OE2-CG 3.2Å; E433-R455 IonicContact OE2-NE 3.65Å
456	D	98.4	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.6	-173.3	-167.8	46.1	0	0	0	110.6	R50 R52 R346 F431 T432	R50-D456 IonicContact CZ-OD1 3.45Å; R50-D456 IonicContact CZ-OD2 3.89Å; R50-D456 IonicContact NE-OD1 2.79Å; R50-D456 PolarHBondContact NE-OD1 2.88Å; R50-D456 IonicContact NE-OD2 3.53Å; R50-D456 VanDerWaalsContact NH2-CG 3.31Å; R50-D456 IonicContact NH2-OD1 2.79Å; R50-D456 PolarHBondContact NH2-OD1 3.45Å; R50-D456 IonicContact NH2-OD2 3.64Å; R50-D456 PolarHBondContact NH2-OD2 2.77Å; R52-D456 VanDerWaalsContact CB-OD1 3.3Å; R52-D456 WeakPolarHBondContact CB-OD1 3.43Å; R52-D456 WeakPolarHBondContact CD-OD1 3.11Å; R52-D456 HydrophobicContact CG-CB 4.13Å; R52-D456 WeakPolarHBondContact CG-OD1 3.36Å; R346-D456 VanDerWaalsContact CD-OD2 3.32Å; R346-D456 WeakPolarHBondContact CD-OD2 3.2Å; R346-D456 HydrophobicContact CG-CB 4.45Å; R346-D456 IonicContact NE-OD2 3.85Å; F431-D456 CarbonylContact C-O 3.55Å; F431-D456 VanDerWaalsContact CA-O 3.3Å; F431-D456 WeakPolarHBondContact CA-O 3.3Å; F431-D456 WeakPolarHBondContact CD2-O 3.38Å; T432-D456 PolarHBondContact N-O 2.96Å; T432-D456 PolarHBondContact O-N 2.83Å
457	V	98.5	Very high	97.2	Very high	58 Å²	58	37.9 Å²	37.9	35%	0.352	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.5	171.6	-178	0	0	0	0	108	R50 E51 L429 H430 F431	R50-V457 CarbonylContact C-O 3.48Å; R50-V457 VanDerWaalsContact CA-O 3.27Å; R50-V457 WeakPolarHBondContact CA-O 3.2Å; E51-V457 PolarHBondContact N-O 2.88Å; E51-V457 PolarHBondContact O-N 2.87Å; L429-V457 HydrophobicContact CD1-CG1 3.97Å; H430-V457 WeakPolarHBondContact O-CA 3.34Å; F431-V457 HydrophobicContact CD2-CG2 3.74Å; F431-V457 HydrophobicContact CE2-CG2 4.41Å
458	K	98	Very high	97	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.7	175.3	-65.3	176.6	-70	169.4	0	109.8	W48 Q49 R50 D344 L429 H430 M460	W48-K458 HydrophobicContact CZ2-CD 3.61Å; W48-K458 HydrophobicContact CZ2-CG 4.42Å; Q49-K458 CarbonylContact O-C 3.56Å; Q49-K458 WeakPolarHBondContact O-CA 3.46Å; R50-K458 HydrophobicContact CB-CG 4.39Å; R50-K458 HydrophobicContact CG-CG 3.89Å; D344-K458 IonicContact OD1-NZ 3.52Å; D344-K458 PolarHBondContact OD1-NZ 3.39Å; D344-K458 IonicContact OD2-NZ 3.52Å; D344-K458 PolarHBondContact OD2-NZ 2.85Å; L429-K458 WeakPolarHBondContact CA-O 3.44Å; H430-K458 HydrophobicContact CB-CB 4.43Å; H430-K458 WeakPolarHBondContact CD2-CE 3.45Å; H430-K458 PolarHBondContact N-O 2.93Å; H430-K458 PolarHBondContact O-N 3.44Å; K458-M460 HydrophobicContact CB-CE 4.24Å
459	F	98.5	Very high	97.2	Very high	71 Å²	71	44.4 Å²	44.4	31%	0.311	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.4	166.2	176.9	-109.4	0	0	0	109.4	Y47 Q49 F427 K428 L429 V461	Y47-F459 HydrophobicContact CD1-CD1 4.02Å; Y47-F459 HydrophobicContact CD1-CE1 4.12Å; Y47-F459 AromaticContact CE1-CD1 3.86Å; Y47-F459 HydrophobicContact CE1-CD1 3.86Å; Y47-F459 HydrophobicContact CE1-CE1 4.17Å; Q49-F459 HydrophobicContact CB-CB 4.49Å; Q49-F459 PolarHBondContact N-O 2.89Å; Q49-F459 PolarHBondContact O-N 2.61Å; F427-F459 HydrophobicContact CB-CE2 4.39Å; F427-F459 HydrophobicContact CD1-CZ 4.01Å; K428-F459 CarbonylContact O-C 3.5Å; K428-F459 WeakPolarHBondContact O-CA 3.44Å; L429-F459 HydrophobicContact CD1-CB 4.28Å; F459-V461 HydrophobicContact CE1-CG2 3.68Å; F459-V461 HydrophobicContact CZ-CG2 3.77Å
460	M	98.4	Very high	97.2	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.6	-177	-67.1	167.4	-78.7	0	0	110.6	Y47 W48 F166 F427 K428 H430 K458	Y47-M460 CarbonylContact O-C 3.5Å; Y47-M460 VanDerWaalsContact O-CA 3.25Å; Y47-M460 WeakPolarHBondContact O-CA 3.27Å; W48-M460 HydrophobicContact CD2-CG 3.89Å; W48-M460 HydrophobicContact CD2-SD 4.18Å; W48-M460 HydrophobicContact CE3-CG 4.17Å; W48-M460 HydrophobicContact CE3-SD 4.1Å; W48-M460 HydrophobicContact CG-CG 4.12Å; W48-M460 HydrophobicContact CH2-SD 4.18Å; W48-M460 HydrophobicContact CZ2-SD 4.26Å; W48-M460 HydrophobicContact CZ3-SD 4.08Å; F166-M460 HydrophobicContact CZ-CB 4.36Å; F166-M460 HydrophobicContact CZ-CG 4.21Å; F427-M460 CarbonylContact C-O 3.44Å; F427-M460 WeakPolarHBondContact CA-O 3.17Å; K428-M460 HydrophobicContact CB-CB 4.48Å; K428-M460 HydrophobicContact CB-CE 4.35Å; K428-M460 HydrophobicContact CD-CE 3.79Å; K428-M460 HydrophobicContact CG-CE 3.98Å; K428-M460 PolarHBondContact N-O 3.2Å; K428-M460 PolarHBondContact O-N 3.08Å; H430-M460 HydrophobicContact CB-CE 4.47Å; K458-M460 HydrophobicContact CB-CE 4.24Å
461	V	98.6	Very high	97.2	Very high	23 Å²	23	47.6 Å²	47.6	14%	0.139	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131	166.5	-171.7	0	0	0	0	108.3	Y46 Y47 T425 M426 F427 F459	Y46-V461 CarbonylContact C-O 3.48Å; Y46-V461 VanDerWaalsContact CA-O 3.23Å; Y46-V461 WeakPolarHBondContact CA-O 3.21Å; Y47-V461 HydrophobicContact CD1-CG2 4.25Å; Y47-V461 PolarHBondContact N-O 2.61Å; Y47-V461 PolarHBondContact O-N 2.87Å; T425-V461 HydrophobicContact CG2-CG1 3.95Å; M426-V461 CarbonylContact O-C 3.6Å; M426-V461 VanDerWaalsContact O-CA 3.27Å; M426-V461 WeakPolarHBondContact O-CA 3.22Å; F427-V461 HydrophobicContact CD1-CB 4.46Å; F427-V461 HydrophobicContact CD1-CG1 4.08Å; F427-V461 HydrophobicContact CD1-CG2 3.71Å; F427-V461 HydrophobicContact CE1-CG1 3.82Å; F427-V461 HydrophobicContact CE1-CG2 3.95Å; F427-V461 HydrophobicContact CZ-CG1 4.31Å; F459-V461 HydrophobicContact CE1-CG2 3.68Å; F459-V461 HydrophobicContact CZ-CG2 3.77Å
462	I	98.2	Very high	97.2	Very high	53 Å²	53	49.6 Å²	49.6	27%	0.272	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	107.1	-179.8	-57.6	174.4	0	0	0	107.7	Y46 F166 T425 M426 P464	Y46-I462 HydrophobicContact CD1-CB 4.28Å; Y46-I462 HydrophobicContact CD1-CG1 4.16Å; Y46-I462 HydrophobicContact CD1-CG2 3.87Å; Y46-I462 HydrophobicContact CE1-CG2 3.72Å; F166-I462 HydrophobicContact CD1-CG1 4.46Å; F166-I462 HydrophobicContact CE1-CD1 4.1Å; F166-I462 HydrophobicContact CE1-CG1 3.86Å; T425-I462 CarbonylContact C-O 3.57Å; T425-I462 VanDerWaalsContact CA-O 3.27Å; T425-I462 WeakPolarHBondContact CA-O 3.27Å; M426-I462 HydrophobicContact CB-CB 4.36Å; M426-I462 PolarHBondContact N-O 3.25Å; M426-I462 PolarHBondContact O-N 3.49Å; I462-P464 WeakPolarHBondContact O-CD 3.13Å
463	A	98	Very high	97.2	Very high	23 Å²	23	52.7 Å²	52.7	19%	0.19	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	88	-177.5	0	0	0	0	0	110.5	G44 I45 T425	G44-A463 WeakPolarHBondContact CA-O 3.03Å; I45-A463 HydrophobicContact CB-CB 4.46Å; I45-A463 PolarHBondContact N-O 3.2Å; I45-A463 WeakPolarHBondContact O-CB 3.41Å; I45-A463 PolarHBondContact O-N 2.88Å; T425-A463 HydrophobicContact CG2-CB 3.82Å
464	P	96	Very high	97.1	Very high	71 Å²	71	55.8 Å²	55.8	46%	0.461	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	149.1	177.2	31.4	-34.5	0	0	0	111.3	I462	I462-P464 WeakPolarHBondContact O-CD 3.13Å
465	F	94.8	Very high	97	Very high	71 Å²	71	59.8 Å²	59.8	31%	0.311	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.2	173.5	62.5	-96.8	0	0	0	112.2	G43 G44 I45 L76 I467	G43-F465 VanDerWaalsContact C-CE1 3.47Å; G43-F465 PolarHBondContact N-O 2.85Å; G43-F465 PolarHBondContact O-N 3.44Å; G43-F465 VanDerWaalsContact O-O 3.09Å; G44-F465 VanDerWaalsContact N-CE1 3.29Å; I45-F465 HydrophobicContact CG1-CE1 4.05Å; L76-F465 HydrophobicContact CD2-CE2 3.93Å; L76-F465 HydrophobicContact CD2-CZ 3.99Å; F465-I467 HydrophobicContact CD2-CD1 4.44Å; F465-I467 HydrophobicContact CD2-CG1 3.92Å; F465-I467 HydrophobicContact CE2-CD1 3.95Å; F465-I467 HydrophobicContact CE2-CG1 3.92Å
466	T	94.6	Very high	96.9	Very high	104 Å²	104	55.7 Å²	55.7	64%	0.638	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.9	171	-57.8	0	0	0	0	108.1	T42	T42-T466 HydrophobicContact CG2-CG2 4.24Å
467	I	94.1	Very high	96.8	Very high	98 Å²	98	60.3 Å²	60.3	50%	0.503	32%	0.321	S	S	.	.			trans	-95	-51.4	176.7	-56.8	-174.7	0	0	0	109.8	L41 L76 F465	L41-I467 HydrophobicContact CB-CB 4.34Å; L41-I467 HydrophobicContact CD2-CB 4.25Å; L41-I467 HydrophobicContact CD2-CD1 3.76Å; L41-I467 HydrophobicContact CD2-CG1 4.45Å; L41-I467 HydrophobicContact CD2-CG2 4.45Å; L41-I467 HydrophobicContact CG-CB 4.28Å; L41-I467 HydrophobicContact CG-CD1 4.06Å; L41-I467 HydrophobicContact CG-CG1 4.42Å; L41-I467 PolarHBondContact O-N 3.39Å; L76-I467 HydrophobicContact CD2-CD1 4.1Å; F465-I467 HydrophobicContact CD2-CD1 4.44Å; F465-I467 HydrophobicContact CD2-CG1 3.92Å; F465-I467 HydrophobicContact CE2-CD1 3.95Å; F465-I467 HydrophobicContact CE2-CG1 3.92Å
468	F	93.6	Very high	96.6	Very high	132 Å²	132	60.5 Å²	60.5	58%	0.579	32%	0.318	S	S	*	.			trans	-148.5	0	172.3	53.1	-98.9	0	0	0	110.9	T40 L41 F78	T40-F468 CarbonylContact C-O 3.56Å; T40-F468 VanDerWaalsContact CA-O 3.32Å; T40-F468 WeakPolarHBondContact CA-O 3.29Å; L41-F468 HydrophobicContact CB-CD1 4.05Å; L41-F468 HydrophobicContact CB-CD2 4.09Å; L41-F468 HydrophobicContact CB-CE1 3.59Å; L41-F468 HydrophobicContact CB-CE2 3.64Å; L41-F468 HydrophobicContact CB-CG 4.28Å; L41-F468 HydrophobicContact CB-CZ 3.37Å; L41-F468 HydrophobicContact CD2-CD1 4.48Å; L41-F468 HydrophobicContact CD2-CE1 3.63Å; L41-F468 HydrophobicContact CD2-CZ 3.91Å; L41-F468 HydrophobicContact CG-CE1 4.27Å; L41-F468 HydrophobicContact CG-CZ 4.28Å; L41-F468 PolarHBondContact N-O 3.13Å; F78-F468 HydrophobicContact CD2-CE2 4.46Å; F78-F468 HydrophobicContact CD2-CZ 4.46Å; F78-F468 HydrophobicContact CE2-CE2 4.32Å; F78-F468 HydrophobicContact CE2-CZ 4.5Å

Retrieved 468 of 468 residues in 112.7 ms (Link to these results)

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