A0A077Z094_TRITR Loading...

LRR 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z094, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 410 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	30.2	Very low	245 Å²	245	162.4 Å²	162.4	100%	1.207	83%	0.828	S	S	*	*				0	99.3	0	-83.3	176.2	168.7	0	0	108.6
2	M	33.1	Very low	30	Very low	176 Å²	176	162.8 Å²	162.8	87%	0.867	83%	0.83	S	S	*	*			trans	-175.5	87.7	150.6	-103.3	-179.2	-174.5	0	0	106.3
3	H	27.2	Very low	30.2	Very low	180 Å²	180	157.4 Å²	157.4	83%	0.833	83%	0.826	S	S	*	*			trans	-75	121.7	163.3	-91.7	-151.6	0	0	0	107.6
4	Y	32.5	Very low	30	Very low	207 Å²	207	153 Å²	153	81%	0.812	82%	0.823	S	S	*	*			trans	-137.2	88.9	152.7	-86.2	-78.4	0	0	0	108.2
5	S	28.7	Very low	30	Very low	99 Å²	99	151.8 Å²	151.8	69%	0.692	82%	0.824	S	S	*	*			trans	-85.4	117.8	160.5	57.6	0	0	0	0	108.1
6	I	34.8	Very low	30.1	Very low	155 Å²	155	151 Å²	151	80%	0.795	83%	0.825	S	S	*	*			trans	-123.8	106.5	159.9	-63	178.8	0	0	0	106.4
7	I	30	Very low	30.2	Very low	168 Å²	168	151.4 Å²	151.4	86%	0.862	83%	0.825	S	S	*	*			trans	-99.2	131.2	171.9	-68.2	170	0	0	0	106.9
8	G	30.3	Very low	30.3	Very low	62 Å²	62	152 Å²	152	64%	0.639	83%	0.826	S	S	*	*			trans	140.4	136.6	165.3	0	0	0	0	0	111.5
9	R	26.8	Very low	30.3	Very low	236 Å²	236	154.4 Å²	154.4	89%	0.891	83%	0.831	S	S	*	*			cis	-177.6	157.9	-2.1	-127.8	-179.9	-179.2	-164.6	0.1	103.9
10	S	28.7	Very low	30.4	Very low	100 Å²	100	151.9 Å²	151.9	70%	0.699	83%	0.826	S	S	*	*			trans	72.8	103.5	161.2	3.4	0	0	0	0	116
11	I	27	Very low	30.5	Very low	158 Å²	158	152.8 Å²	152.8	81%	0.81	83%	0.829	S	S	*	*				43.9	104.6	75.3	-48	176.8	0	0	0	111.5
12	I	28.3	Very low	30.7	Very low	167 Å²	167	148.9 Å²	148.9	86%	0.856	81%	0.812	S	S	*	*			trans	167	144.5	134.4	-80.3	155.2	0	0	0	107.7
13	A	32.5	Very low	30.6	Very low	93 Å²	93	150.3 Å²	150.3	77%	0.769	81%	0.814	S	S	*	*			trans	101.1	55.8	173.4	0	0	0	0	0	116.1
14	A	27.7	Very low	30.8	Very low	96 Å²	96	148 Å²	148	79%	0.793	82%	0.817	S	S	*	*			trans	-66.5	119.7	142	0	0	0	0	0	108.7
15	T	30	Very low	30.9	Very low	135 Å²	135	146.3 Å²	146.3	83%	0.828	82%	0.816	S	S	*	*			trans	156.9	82.5	145.4	45	0	0	0	0	109
16	V	31.1	Very low	31.3	Very low	139 Å²	139	147.9 Å²	147.9	84%	0.842	82%	0.822	S	S	*	*	S	Bend	trans	179.5	99.3	143.9	175.1	0	0	0	0	104.1
17	L	31.3	Very low	31.5	Very low	158 Å²	158	149.1 Å²	149.1	83%	0.827	83%	0.829	S	S	*	*			trans	163.6	63.5	158.3	-89.4	156.8	0	0	0	108.5
18	L	32	Very low	31.8	Very low	162 Å²	162	144.6 Å²	144.6	85%	0.848	82%	0.823	S	S	*	*			trans	-145.8	50.6	169.3	-138	106.7	0	0	0	110.5
19	H	31.3	Very low	32.2	Very low	197 Å²	197	145 Å²	145	91%	0.912	83%	0.827	S	S	*	*			trans	-140.9	40.2	178.3	-87.7	67.8	0	0	0	112.1
20	S	32.6	Very low	32.9	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	83%	0.826	S	S	*	*	S	Bend	trans	-141	23.1	176.8	53.6	0	0	0	0	115.4
21	L	32.9	Very low	33.8	Very low	170 Å²	170	144.3 Å²	144.3	89%	0.89	82%	0.822	S	S	*	*	S	Bend	trans	-125.6	19.9	176.2	-84	163.6	0	0	0	115.1
22	L	35.2	Very low	35	Very low	163 Å²	163	145.4 Å²	145.4	85%	0.853	82%	0.823	S	S	*	*			trans	-123.3	87.2	163.8	-90	94.5	0	0	0	109.1
23	F	31.6	Very low	36.4	Very low	207 Å²	207	141.8 Å²	141.8	91%	0.908	82%	0.819	S	S	*	*			trans	-173.9	73.9	146.9	-110.8	-77.6	0	0	0	109.1
24	C	32.1	Very low	37.9	Very low	132 Å²	132	138.7 Å²	138.7	89%	0.892	79%	0.791	S	S	*	*			trans	-141.2	53.4	156.1	-163.2	0	0	0	0	108.6
25	Q	34.2	Very low	40.5	Very low	171 Å²	171	141.8 Å²	141.8	80%	0.799	79%	0.793	S	S	*	*			trans	-108	100.4	163	-73.8	-174.6	-8.2	0	0	106.3
26	T	36	Very low	43.4	Very low	131 Å²	131	139.3 Å²	139.3	80%	0.804	77%	0.771	S	S	*	*	S	Bend	trans	176.4	125.5	139.3	36.5	0	0	0	0	107.4
27	L	40.4	Very low	46.4	Very low	182 Å²	182	134.7 Å²	134.7	95%	0.953	75%	0.745	S	S	*	*	S	Bend	trans	81.3	36.3	178.7	-46.8	173.2	0	0	0	117
28	G	35.3	Very low	49.5	Very low	72 Å²	72	127.5 Å²	127.5	74%	0.742	71%	0.707	S	S	*	*			trans	-99.4	87.8	161.8	0	0	0	0	0	109.8	E30	G28-E30 PolarHBondContact O-N 2.98Å
29	G	38.4	Very low	52.4	Low	70 Å²	70	128.6 Å²	128.6	72%	0.722	71%	0.708	S	S	*	*			trans	-57.6	122.1	163.4	0	0	0	0	0	107.9	F31	G29-F31 PolarHBondContact O-N 3.47Å
30	E	41.9	Very low	55.5	Low	186 Å²	186	122.3 Å²	122.3	87%	0.869	70%	0.696	S	S	*	*			trans	-55.5	106.6	174.5	-74.6	178.3	155	0	0	108.4	G28 Q32	G28-E30 PolarHBondContact O-N 2.98Å; E30-Q32 PolarHBondContact O-N 2.8Å
31	F	48.3	Very low	58.5	Low	137 Å²	137	118.2 Å²	118.2	60%	0.601	67%	0.667	S	S	*	*			trans	-72.1	86.8	172.8	-131.2	-93.7	0	0	0	106.7	G29 A33 F42 P44	G29-F31 PolarHBondContact O-N 3.47Å; F31-A33 PolarHBondContact O-N 3.09Å; F31-A33 VanDerWaalsContact O-N 3.11Å; F31-F42 AromaticContact CE1-CE2 3.98Å; F31-F42 HydrophobicContact CE1-CE2 3.98Å; F31-F42 HydrophobicContact CE1-CZ 4.49Å; F31-F42 AromaticContact CZ-CE2 3.77Å; F31-F42 HydrophobicContact CZ-CE2 3.77Å; F31-F42 AromaticContact CZ-CZ 3.87Å; F31-F42 HydrophobicContact CZ-CZ 3.87Å; F31-P44 HydrophobicContact CZ-CB 3.96Å
32	Q	52.2	Low	61.6	Low	180 Å²	180	115.4 Å²	115.4	84%	0.841	65%	0.648	S	S	*	*			trans	-63.3	113	164.2	-79.9	-173.8	-50.6	0	0	106.6	E30 S34	E30-Q32 PolarHBondContact O-N 2.8Å; Q32-S34 PolarHBondContact O-N 3.29Å
33	A	56.8	Low	64.5	Low	92 Å²	92	108.1 Å²	108.1	76%	0.76	61%	0.611	S	S	*	*			trans	-52.4	116.8	171.2	0	0	0	0	0	107.9	F31 L35	F31-A33 PolarHBondContact O-N 3.09Å; F31-A33 VanDerWaalsContact O-N 3.11Å; A33-L35 PolarHBondContact O-N 3.3Å
34	S	65.4	Low	67.5	Low	28 Å²	28	100.2 Å²	100.2	20%	0.196	58%	0.58	C	S	.	*			trans	-55.8	125.5	176.1	174.3	0	0	0	0	108.3	Q32 F36 C37	Q32-S34 PolarHBondContact O-N 3.29Å; S34-F36 PolarHBondContact O-N 3.07Å; S34-F36 VanDerWaalsContact O-N 3.07Å; S34-F36 PolarHBondContact OG-N 2.9Å; S34-C37 WeakPolarHBondContact O-CB 3.47Å; S34-C37 PolarHBondContact O-N 3.21Å
35	L	82.4	Confident	70.4	Confident	160 Å²	160	102.4 Å²	102.4	84%	0.838	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-22.1	175.4	-172.4	67.8	0	0	0	111.6	A33	A33-L35 PolarHBondContact O-N 3.3Å
36	F	90.4	Very high	73.3	Confident	84 Å²	84	97.2 Å²	97.2	37%	0.368	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	40.6	-177.1	-58.7	-77.9	0	0	0	112.6	S34 E62	S34-F36 PolarHBondContact O-N 3.07Å; S34-F36 VanDerWaalsContact O-N 3.07Å; S34-F36 PolarHBondContact OG-N 2.9Å; F36-E62 CarbonylContact C-O 3.5Å; F36-E62 WeakPolarHBondContact CA-O 3.45Å; F36-E62 WeakPolarHBondContact CB-O 3.46Å
37	C	94.7	Very high	76.2	Confident	41 Å²	41	94.1 Å²	94.1	28%	0.277	52%	0.522	S	S	.	.			trans	-110.1	120.1	177.4	-167	0	0	0	0	110.7	S34 C41 C43	S34-C37 WeakPolarHBondContact O-CB 3.47Å; S34-C37 PolarHBondContact O-N 3.21Å; C37-C41 PolarHBondContact SG-O 3.02Å; C37-C43 WeakPolarHBondContact CA-SG 3.17Å; C37-C43 HydrophobicContact CB-CB 3.68Å; C37-C43 WeakPolarHBondContact CB-SG 3.02Å; C37-C43 WeakPolarHBondContact SG-CB 3.44Å; C37-C43 CovalentContact SG-SG 2.04Å; C37-C43 PolarHBondContact SG-SG 2.73Å
38	P	95.6	Very high	78.9	Confident	7 Å²	7	88.2 Å²	88.2	5%	0.045	49%	0.489	C	S	.	.			trans	-60.5	148.7	177.1	-22.1	32.9	0	0	0	112.2	G40 C41 V49 P60 M63	P38-G40 PolarHBondContact O-N 3.43Å; P38-C41 HydrophobicContact CB-CB 4.38Å; P38-C41 WeakPolarHBondContact O-CB 3.47Å; P38-C41 PolarHBondContact O-N 3.34Å; P38-C41 VanDerWaalsContact O-N 3.09Å; P38-V49 HydrophobicContact CG-CG1 4.35Å; P38-P60 HydrophobicContact CB-CB 3.76Å; P38-P60 HydrophobicContact CB-CG 3.99Å; P38-P60 HydrophobicContact CG-CB 3.42Å; P38-P60 VanDerWaalsContact CG-CB 3.42Å; P38-P60 HydrophobicContact CG-CG 3.88Å; P38-M63 HydrophobicContact CG-CG 3.54Å; P38-M63 HydrophobicContact CG-SD 4.24Å
39	Q	93.6	Very high	81.9	Confident	186 Å²	186	84.9 Å²	84.9	87%	0.869	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	128.4	-178.2	-172.9	176.8	8.8	0	0	111.4	C41	Q39-C41 VanDerWaalsContact C-N 3.28Å; Q39-C41 PolarHBondContact O-N 3.33Å
40	G	94.7	Very high	84.8	Confident	64 Å²	64	84.1 Å²	84.1	66%	0.66	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-7.5	-179.8	0	0	0	0	0	114.7	P38 V54	P38-G40 PolarHBondContact O-N 3.43Å; G40-V54 VanDerWaalsContact O-CG2 3.29Å; G40-V54 WeakPolarHBondContact O-CG2 3.3Å
41	C	97.2	Very high	87.5	Confident	19 Å²	19	75.3 Å²	75.3	13%	0.128	39%	0.393	C	S	.	.			trans	-89.8	160.4	176.1	-56.2	0	0	0	0	112	C37 P38 Q39 V49 C51	C37-C41 PolarHBondContact SG-O 3.02Å; P38-C41 HydrophobicContact CB-CB 4.38Å; P38-C41 WeakPolarHBondContact O-CB 3.47Å; P38-C41 PolarHBondContact O-N 3.34Å; P38-C41 VanDerWaalsContact O-N 3.09Å; Q39-C41 VanDerWaalsContact C-N 3.28Å; Q39-C41 PolarHBondContact O-N 3.33Å; C41-V49 HydrophobicContact CB-CG1 4.29Å; C41-C51 HydrophobicContact CB-CB 4.05Å; C41-C51 WeakPolarHBondContact CB-SG 3.5Å; C41-C51 WeakPolarHBondContact SG-CB 2.97Å; C41-C51 CovalentContact SG-SG 2.03Å; C41-C51 PolarHBondContact SG-SG 3.3Å
42	F	96.8	Very high	89.8	Confident	112 Å²	112	72.6 Å²	72.6	49%	0.491	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123	173	176.2	-113.4	0	0	0	109.6	F31 P44 L50	F31-F42 AromaticContact CE1-CE2 3.98Å; F31-F42 HydrophobicContact CE1-CE2 3.98Å; F31-F42 HydrophobicContact CE1-CZ 4.49Å; F31-F42 AromaticContact CZ-CE2 3.77Å; F31-F42 HydrophobicContact CZ-CE2 3.77Å; F31-F42 AromaticContact CZ-CZ 3.87Å; F31-F42 HydrophobicContact CZ-CZ 3.87Å; F42-P44 HydrophobicContact CD1-CG 4.46Å; F42-P44 HydrophobicContact CE1-CB 3.87Å; F42-P44 HydrophobicContact CE1-CG 3.9Å; F42-P44 HydrophobicContact CZ-CB 3.83Å; F42-P44 HydrophobicContact CZ-CG 4.38Å; F42-L50 HydrophobicContact CB-CB 4.48Å; F42-L50 HydrophobicContact CD1-CB 4.46Å; F42-L50 HydrophobicContact CD1-CD1 3.78Å; F42-L50 HydrophobicContact CE1-CD1 4.23Å; F42-L50 PolarHBondContact N-O 2.75Å; F42-L50 WeakPolarHBondContact O-CB 3.41Å; F42-L50 PolarHBondContact O-N 3.26Å
43	C	96.4	Very high	92	Very high	10 Å²	10	66.3 Å²	66.3	7%	0.068	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	89.5	-177.1	-48.5	0	0	0	0	109.6	C37 R45 E48	C37-C43 WeakPolarHBondContact CA-SG 3.17Å; C37-C43 HydrophobicContact CB-CB 3.68Å; C37-C43 WeakPolarHBondContact CB-SG 3.02Å; C37-C43 WeakPolarHBondContact SG-CB 3.44Å; C37-C43 CovalentContact SG-SG 2.04Å; C37-C43 PolarHBondContact SG-SG 2.73Å; C43-R45 PolarHBondContact O-N 2.99Å; C43-E48 WeakPolarHBondContact CA-O 3.37Å
44	P	94.4	Very high	93.9	Very high	40 Å²	40	63.2 Å²	63.2	26%	0.26	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-21.6	-175.1	27.9	-34.5	0	0	0	113.7	F31 F42 E48	F31-P44 HydrophobicContact CZ-CB 3.96Å; F42-P44 HydrophobicContact CD1-CG 4.46Å; F42-P44 HydrophobicContact CE1-CB 3.87Å; F42-P44 HydrophobicContact CE1-CG 3.9Å; F42-P44 HydrophobicContact CZ-CB 3.83Å; F42-P44 HydrophobicContact CZ-CG 4.38Å; P44-E48 HydrophobicContact CG-CB 4.19Å; P44-E48 HydrophobicContact CG-CG 3.97Å
45	R	93.7	Very high	95.3	Very high	179 Å²	179	67.7 Å²	67.7	68%	0.675	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	167.4	177.7	-61.3	-175.8	-176.4	174.7	2.6	109.5	C43 E47 E48	C43-R45 PolarHBondContact O-N 2.99Å; R45-E47 PolarHBondContact O-N 2.89Å; R45-E48 PolarHBondContact O-N 3.49Å
46	E	94.5	Very high	96	Very high	61 Å²	61	61.2 Å²	61.2	29%	0.285	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.6	175.3	-167.6	-172.3	167.9	0	0	111.5	S64 K66	E46-S64 WeakPolarHBondContact CG-OG 3.29Å; E46-S64 WeakPolarHBondContact O-CB 3.41Å; E46-S64 PolarHBondContact OE1-OG 3.32Å; E46-K66 IonicContact OE1-NZ 2.85Å; E46-K66 PolarHBondContact OE1-NZ 3.11Å; E46-K66 VanDerWaalsContact OE1-NZ 3.14Å; E46-K66 IonicContact OE2-NZ 3.26Å; E46-K66 PolarHBondContact OE2-NZ 3.27Å
47	E	96.9	Very high	96.3	Very high	67 Å²	67	63.7 Å²	63.7	31%	0.313	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	4.3	-175.9	-55	86.3	171.2	0	0	115	R45 K66 R68 N69	R45-E47 PolarHBondContact O-N 2.89Å; E47-K66 WeakPolarHBondContact CG-O 3.43Å; E47-R68 HydrophobicContact CB-CB 4.15Å; E47-R68 HydrophobicContact CB-CG 4.06Å; E47-R68 HydrophobicContact CG-CG 4.34Å; E47-R68 PolarHBondContact O-N 2.99Å; E47-N69 PolarHBondContact O-N 2.86Å
48	E	97.7	Very high	96.4	Very high	57 Å²	57	66.8 Å²	66.8	27%	0.266	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.4	-173.7	-175.5	168.4	-162.9	0	0	112.5	C43 P44 R45 L50 N69	C43-E48 WeakPolarHBondContact CA-O 3.37Å; P44-E48 HydrophobicContact CG-CB 4.19Å; P44-E48 HydrophobicContact CG-CG 3.97Å; R45-E48 PolarHBondContact O-N 3.49Å; E48-L50 HydrophobicContact CG-CG 4.32Å; E48-N69 WeakPolarHBondContact CA-O 3.45Å; E48-N69 HydrophobicContact CB-CB 4.46Å; E48-N69 HydrophobicContact CG-CB 4.21Å
49	V	98.2	Very high	96.5	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.2	177.2	176.4	0	0	0	0	109.9	P38 C41 M63 L67 N69 L70 T71	P38-V49 HydrophobicContact CG-CG1 4.35Å; C41-V49 HydrophobicContact CB-CG1 4.29Å; V49-M63 HydrophobicContact CB-SD 3.93Å; V49-M63 HydrophobicContact CG1-SD 3.78Å; V49-M63 HydrophobicContact CG2-CG 4.09Å; V49-M63 HydrophobicContact CG2-SD 3.86Å; V49-L67 HydrophobicContact CB-CD1 4.04Å; V49-L67 HydrophobicContact CG2-CD1 3.58Å; V49-N69 PolarHBondContact N-O 3.3Å; V49-L70 HydrophobicContact CB-CD1 3.97Å; V49-L70 HydrophobicContact CG1-CD1 3.97Å; V49-T71 PolarHBondContact O-N 2.8Å
50	L	98.4	Very high	96.6	Very high	54 Å²	54	58.1 Å²	58.1	28%	0.283	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	108.7	-179.6	-58.5	168.3	0	0	0	108.7	F42 E48 T71	F42-L50 HydrophobicContact CB-CB 4.48Å; F42-L50 HydrophobicContact CD1-CB 4.46Å; F42-L50 HydrophobicContact CD1-CD1 3.78Å; F42-L50 HydrophobicContact CE1-CD1 4.23Å; F42-L50 PolarHBondContact N-O 2.75Å; F42-L50 WeakPolarHBondContact O-CB 3.41Å; F42-L50 PolarHBondContact O-N 3.26Å; E48-L50 HydrophobicContact CG-CG 4.32Å; L50-T71 WeakPolarHBondContact CA-O 3.14Å; L50-T71 HydrophobicContact CD2-CG2 4.44Å
51	C	98.3	Very high	96.6	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.3	177.2	-58.7	0	0	0	0	108.8	C41 L56 T71 I72 S73	C41-C51 HydrophobicContact CB-CB 4.05Å; C41-C51 WeakPolarHBondContact CB-SG 3.5Å; C41-C51 WeakPolarHBondContact SG-CB 2.97Å; C41-C51 CovalentContact SG-SG 2.03Å; C41-C51 PolarHBondContact SG-SG 3.3Å; C51-L56 HydrophobicContact CB-CD1 3.83Å; C51-T71 PolarHBondContact N-O 3.19Å; C51-I72 HydrophobicContact CB-CG1 4.22Å; C51-I72 HydrophobicContact CB-CG2 4.26Å; C51-I72 CarbonylContact O-C 3.29Å; C51-I72 WeakPolarHBondContact O-CA 3.42Å; C51-S73 PolarHBondContact O-N 3.47Å
52	D	98.3	Very high	96.3	Very high	79 Å²	79	63.6 Å²	63.6	42%	0.422	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	117.9	-179	-169.2	24.3	0	0	0	112.2	V54 S73 R74	D52-V54 VanDerWaalsContact C-N 3.29Å; D52-S73 WeakPolarHBondContact CA-O 3.37Å; D52-S73 WeakPolarHBondContact OD1-CB 3.02Å; D52-S73 PolarHBondContact OD1-OG 2.04Å; D52-R74 VanDerWaalsContact CG-NH1 3.28Å; D52-R74 IonicContact OD1-CZ 3.15Å; D52-R74 IonicContact OD1-NE 3.14Å; D52-R74 IonicContact OD1-NH1 2.94Å; D52-R74 PolarHBondContact OD1-NH1 3.01Å; D52-R74 IonicContact OD1-NH2 2.66Å; D52-R74 PolarHBondContact OD1-NH2 2.85Å; D52-R74 IonicContact OD2-CZ 3.51Å; D52-R74 IonicContact OD2-NH1 3.01Å; D52-R74 PolarHBondContact OD2-NH1 3.34Å; D52-R74 IonicContact OD2-NH2 2.85Å; D52-R74 PolarHBondContact OD2-NH2 3.36Å
53	G	97.8	Very high	96.2	Very high	49 Å²	49	58.6 Å²	58.6	51%	0.505	30%	0.297	S	S	.	.	S	Bend	trans	71.3	24.3	-176.9	0	0	0	0	0	113.7	S73 R74	G53-S73 PolarHBondContact N-O 2.03Å; G53-R74 WeakPolarHBondContact CA-O 3.45Å
54	V	96.6	Very high	96.2	Very high	26 Å²	26	58.1 Å²	58.1	16%	0.158	29%	0.293	C	S	.	.			trans	-96.2	133.7	175.7	-174	0	0	0	0	108.5	G40 D52 L56	G40-V54 VanDerWaalsContact O-CG2 3.29Å; G40-V54 WeakPolarHBondContact O-CG2 3.3Å; D52-V54 VanDerWaalsContact C-N 3.29Å; V54-L56 HydrophobicContact CB-CG 4.1Å; V54-L56 HydrophobicContact CG1-CD2 3.79Å; V54-L56 HydrophobicContact CG1-CG 3.85Å; V54-L56 PolarHBondContact O-N 3.12Å
55	D	95.1	Very high	96.2	Very high	123 Å²	123	59.8 Å²	59.8	66%	0.658	30%	0.304	S	S	*	.			trans	-73.5	69.3	177.7	-173.2	29.2	0	0	0	111.5
56	L	97.2	Very high	96.2	Very high	24 Å²	24	56.4 Å²	56.4	13%	0.126	30%	0.295	C	S	.	.			trans	-88.1	127.1	175.1	-59.7	176.9	0	0	0	109.7	C51 V54 P60 I72 A75 N76 I77	C51-L56 HydrophobicContact CB-CD1 3.83Å; V54-L56 HydrophobicContact CB-CG 4.1Å; V54-L56 HydrophobicContact CG1-CD2 3.79Å; V54-L56 HydrophobicContact CG1-CG 3.85Å; V54-L56 PolarHBondContact O-N 3.12Å; L56-P60 HydrophobicContact CD1-CG 3.85Å; L56-P60 HydrophobicContact CD2-CG 4.11Å; L56-I72 HydrophobicContact CD1-CD1 4.3Å; L56-I72 HydrophobicContact CD1-CG2 4.04Å; L56-A75 HydrophobicContact CB-CB 4.14Å; L56-N76 CarbonylContact O-C 3.57Å; L56-N76 WeakPolarHBondContact O-CA 3.36Å; L56-N76 PolarHBondContact O-N 3.07Å; L56-I77 HydrophobicContact CB-CG1 4.39Å; L56-I77 WeakPolarHBondContact O-CG1 3.17Å; L56-I77 PolarHBondContact O-N 3.21Å
57	K	96.6	Very high	96.4	Very high	136 Å²	136	53.5 Å²	53.5	59%	0.591	28%	0.281	S	S	*	.	S	Bend	trans	-93.9	-19.7	175.2	-63.9	-173.2	179.5	-177.4	0	114.3	N76 I77	K57-N76 WeakPolarHBondContact CA-O 3.32Å; K57-I77 WeakPolarHBondContact O-CA 3.46Å
58	N	96.7	Very high	96.5	Very high	105 Å²	105	55.4 Å²	55.4	56%	0.561	29%	0.285	S	S	*	.	S	Bend	trans	-143.9	169.6	179.1	-59.5	-64.9	0	0	0	108.8	P60	N58-P60 WeakPolarHBondContact O-CD 3.46Å
59	I	97.5	Very high	96.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.284	C	S	.	.			trans	-63.5	124.1	168	-58.4	-63.8	0	0	0	108.7	Q61 M63 L70 I72 I77 I80 D84 F85 F88 L96	I59-Q61 PolarHBondContact O-N 3.46Å; I59-Q61 PolarHBondContact O-NE2 3.24Å; I59-M63 HydrophobicContact CG2-CE 3.94Å; I59-L70 HydrophobicContact CG2-CD2 4.35Å; I59-I72 HydrophobicContact CD1-CD1 3.94Å; I59-I77 HydrophobicContact CD1-CD1 4Å; I59-I80 HydrophobicContact CD1-CG2 4.14Å; I59-I80 HydrophobicContact CG1-CG2 4.01Å; I59-D84 HydrophobicContact CB-CB 4.02Å; I59-D84 HydrophobicContact CG1-CB 3.91Å; I59-F85 HydrophobicContact CD1-CE1 4.14Å; I59-F85 HydrophobicContact CD1-CZ 4.09Å; I59-F85 HydrophobicContact CG1-CE1 4.09Å; I59-F85 HydrophobicContact CG1-CZ 4.01Å; I59-F85 HydrophobicContact CG2-CE1 4.33Å; I59-F88 HydrophobicContact CG2-CE2 4.28Å; I59-L96 HydrophobicContact CD1-CD2 4.18Å
60	P	95.8	Very high	96.5	Very high	10 Å²	10	54.8 Å²	54.8	7%	0.065	28%	0.284	C	S	.	.			trans	-60.1	136.9	-179	-25	34.3	0	0	0	112.6	P38 L56 N58 M63 F88	P38-P60 HydrophobicContact CB-CB 3.76Å; P38-P60 HydrophobicContact CB-CG 3.99Å; P38-P60 HydrophobicContact CG-CB 3.42Å; P38-P60 VanDerWaalsContact CG-CB 3.42Å; P38-P60 HydrophobicContact CG-CG 3.88Å; L56-P60 HydrophobicContact CD1-CG 3.85Å; L56-P60 HydrophobicContact CD2-CG 4.11Å; N58-P60 WeakPolarHBondContact O-CD 3.46Å; P60-M63 HydrophobicContact CB-CE 4.25Å; P60-M63 HydrophobicContact CB-CG 4.21Å; P60-M63 HydrophobicContact CB-SD 4.42Å; P60-M63 WeakPolarHBondContact O-CE 3.34Å; P60-F88 WeakPolarHBondContact O-CZ 3.5Å
61	Q	95	Very high	96.6	Very high	76 Å²	76	54.5 Å²	54.5	36%	0.355	28%	0.284	S	S	.	.	S	Bend	trans	-99.8	-10.5	-177.2	-60.5	-58.5	-51.7	0	0	112.5	I59 M63 D84	I59-Q61 PolarHBondContact O-N 3.46Å; I59-Q61 PolarHBondContact O-NE2 3.24Å; Q61-M63 PolarHBondContact O-N 3.26Å; Q61-D84 PolarHBondContact NE2-O 2.85Å; Q61-D84 VanDerWaalsContact NE2-O 3.12Å
62	E	90.2	Very high	96.6	Very high	123 Å²	123	54.4 Å²	54.4	58%	0.575	28%	0.283	S	S	*	.	S	Bend	trans	-80.6	4.9	-179.7	-51.5	81.1	-174.2	0	0	113.6	F36	F36-E62 CarbonylContact C-O 3.5Å; F36-E62 WeakPolarHBondContact CA-O 3.45Å; F36-E62 WeakPolarHBondContact CB-O 3.46Å
63	M	95.6	Very high	96.6	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.03	27%	0.27	C	S	.	.	S	Bend	trans	-76.5	160	-179.6	-59.7	-173.9	-74.2	0	0	112.4	P38 V49 I59 P60 Q61 L67 L70 F88	P38-M63 HydrophobicContact CG-CG 3.54Å; P38-M63 HydrophobicContact CG-SD 4.24Å; V49-M63 HydrophobicContact CB-SD 3.93Å; V49-M63 HydrophobicContact CG1-SD 3.78Å; V49-M63 HydrophobicContact CG2-CG 4.09Å; V49-M63 HydrophobicContact CG2-SD 3.86Å; I59-M63 HydrophobicContact CG2-CE 3.94Å; P60-M63 HydrophobicContact CB-CE 4.25Å; P60-M63 HydrophobicContact CB-CG 4.21Å; P60-M63 HydrophobicContact CB-SD 4.42Å; P60-M63 WeakPolarHBondContact O-CE 3.34Å; Q61-M63 PolarHBondContact O-N 3.26Å; M63-L67 HydrophobicContact CB-CD2 4.19Å; M63-L67 HydrophobicContact CE-CD2 3.95Å; M63-L67 HydrophobicContact SD-CD2 3.7Å; M63-L70 HydrophobicContact CE-CD1 4.12Å; M63-L70 HydrophobicContact CE-CD2 3.88Å; M63-L70 HydrophobicContact SD-CD1 3.64Å; M63-L70 HydrophobicContact SD-CD2 4.47Å; M63-F88 HydrophobicContact CB-CD1 4.49Å; M63-F88 HydrophobicContact CB-CE1 3.69Å; M63-F88 HydrophobicContact CB-CZ 4.01Å; M63-F88 HydrophobicContact CE-CD2 4.34Å; M63-F88 HydrophobicContact CE-CE1 4.29Å; M63-F88 HydrophobicContact CE-CE2 3.72Å; M63-F88 HydrophobicContact CE-CZ 3.7Å
64	S	95.6	Very high	96.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.			trans	-67	138.7	-178.7	175.7	0	0	0	0	111.3	E46 K66 L67	E46-S64 WeakPolarHBondContact CG-OG 3.29Å; E46-S64 WeakPolarHBondContact O-CB 3.41Å; E46-S64 PolarHBondContact OE1-OG 3.32Å; S64-K66 PolarHBondContact O-N 3.28Å; S64-K66 VanDerWaalsContact O-N 3.07Å; S64-K66 PolarHBondContact OG-N 3.17Å; S64-K66 VanDerWaalsContact OG-N 3.07Å; S64-L67 WeakPolarHBondContact O-CB 3.19Å; S64-L67 PolarHBondContact O-N 3.47Å
65	P	94.1	Very high	96.7	Very high	75 Å²	75	55.2 Å²	55.2	49%	0.487	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.8	169	-23.9	34.3	0	0	0	114.2	L67	P65-L67 VanDerWaalsContact C-N 3.34Å
66	K	95.1	Very high	96.8	Very high	109 Å²	109	52.8 Å²	52.8	47%	0.474	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.9	175.4	-55.1	-174.8	-157.7	140.2	0	113.5	E46 E47 S64 R68	E46-K66 IonicContact OE1-NZ 2.85Å; E46-K66 PolarHBondContact OE1-NZ 3.11Å; E46-K66 VanDerWaalsContact OE1-NZ 3.14Å; E46-K66 IonicContact OE2-NZ 3.26Å; E46-K66 PolarHBondContact OE2-NZ 3.27Å; E47-K66 WeakPolarHBondContact CG-O 3.43Å; S64-K66 PolarHBondContact O-N 3.28Å; S64-K66 VanDerWaalsContact O-N 3.07Å; S64-K66 PolarHBondContact OG-N 3.17Å; S64-K66 VanDerWaalsContact OG-N 3.07Å; K66-R68 PolarHBondContact O-N 3.29Å
67	L	97.7	Very high	96.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.			trans	-50.6	129	-179	-172.9	67.6	0	0	0	111.2	V49 M63 S64 P65 N69 L70 F88 H90 L91	V49-L67 HydrophobicContact CB-CD1 4.04Å; V49-L67 HydrophobicContact CG2-CD1 3.58Å; M63-L67 HydrophobicContact CB-CD2 4.19Å; M63-L67 HydrophobicContact CE-CD2 3.95Å; M63-L67 HydrophobicContact SD-CD2 3.7Å; S64-L67 WeakPolarHBondContact O-CB 3.19Å; S64-L67 PolarHBondContact O-N 3.47Å; P65-L67 VanDerWaalsContact C-N 3.34Å; L67-N69 WeakPolarHBondContact CD1-O 3.4Å; L67-L70 HydrophobicContact CD2-CB 4.11Å; L67-L70 HydrophobicContact CD2-CD1 4.49Å; L67-L70 HydrophobicContact CD2-CD2 4.5Å; L67-F88 HydrophobicContact CB-CD1 4.37Å; L67-F88 HydrophobicContact CD2-CD1 4.25Å; L67-F88 HydrophobicContact CD2-CG 4.36Å; L67-H90 CarbonylContact O-C 3.2Å; L67-H90 VanDerWaalsContact O-C 3.28Å; L67-L91 HydrophobicContact CB-CD1 4.43Å; L67-L91 HydrophobicContact CD2-CD1 3.85Å; L67-L91 HydrophobicContact CG-CD1 3.7Å; L67-L91 WeakPolarHBondContact O-CA 3.28Å; L67-L91 PolarHBondContact O-N 3.48Å
68	R	98.5	Very high	96.7	Very high	107 Å²	107	49.4 Å²	49.4	40%	0.404	24%	0.241	S	C	.	.			trans	-111.9	-34.8	176	-65.8	-173.6	-174.9	-90.6	-6	112.1	E47 K66 L91 E92 R93	E47-R68 HydrophobicContact CB-CB 4.15Å; E47-R68 HydrophobicContact CB-CG 4.06Å; E47-R68 HydrophobicContact CG-CG 4.34Å; E47-R68 PolarHBondContact O-N 2.99Å; K66-R68 PolarHBondContact O-N 3.29Å; R68-L91 WeakPolarHBondContact O-CD1 3.34Å; R68-E92 HydrophobicContact CB-CG 4.48Å; R68-E92 IonicContact CZ-OE1 3.67Å; R68-E92 IonicContact NH1-OE1 2.95Å; R68-E92 PolarHBondContact NH1-OE1 3.01Å; R68-E92 WeakPolarHBondContact O-CA 3.04Å; R68-E92 PolarHBondContact O-N 2.98Å; R68-R93 PolarHBondContact O-N 2.82Å
69	N	98.6	Very high	96.6	Very high	45 Å²	45	49.8 Å²	49.8	24%	0.241	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.3	-175.8	-60.6	-31.5	0	0	0	110.7	E47 E48 V49 L67 R93	E47-N69 PolarHBondContact O-N 2.86Å; E48-N69 WeakPolarHBondContact CA-O 3.45Å; E48-N69 HydrophobicContact CB-CB 4.46Å; E48-N69 HydrophobicContact CG-CB 4.21Å; V49-N69 PolarHBondContact N-O 3.3Å; L67-N69 WeakPolarHBondContact CD1-O 3.4Å; N69-R93 WeakPolarHBondContact OD1-CB 3.12Å; N69-R93 WeakPolarHBondContact OD1-CD 3.45Å; N69-R93 WeakPolarHBondContact OD1-CG 3.43Å
70	L	98.7	Very high	96.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.2	173.7	-179.6	57.1	0	0	0	109.8	V49 I59 M63 L67 I72 L91 R93 L94 S95	V49-L70 HydrophobicContact CB-CD1 3.97Å; V49-L70 HydrophobicContact CG1-CD1 3.97Å; I59-L70 HydrophobicContact CG2-CD2 4.35Å; M63-L70 HydrophobicContact CE-CD1 4.12Å; M63-L70 HydrophobicContact CE-CD2 3.88Å; M63-L70 HydrophobicContact SD-CD1 3.64Å; M63-L70 HydrophobicContact SD-CD2 4.47Å; L67-L70 HydrophobicContact CD2-CB 4.11Å; L67-L70 HydrophobicContact CD2-CD1 4.49Å; L67-L70 HydrophobicContact CD2-CD2 4.5Å; L70-I72 HydrophobicContact CD1-CD1 4.14Å; L70-I72 HydrophobicContact CD1-CG1 3.87Å; L70-I72 HydrophobicContact CD2-CD1 4.28Å; L70-I72 HydrophobicContact CG-CD1 4.33Å; L70-I72 HydrophobicContact CG-CG1 4.16Å; L70-L91 HydrophobicContact CB-CD1 3.82Å; L70-L91 HydrophobicContact CB-CD2 4.36Å; L70-R93 PolarHBondContact N-O 2.65Å; L70-L94 HydrophobicContact CB-CD1 4.16Å; L70-L94 HydrophobicContact CD2-CD1 3.85Å; L70-L94 HydrophobicContact CG-CD1 4.09Å; L70-S95 PolarHBondContact O-N 3.46Å
71	T	98.7	Very high	96.7	Very high	47 Å²	47	50.6 Å²	50.6	29%	0.288	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.3	169.2	-56.6	0	0	0	0	109.4	V49 L50 C51 S95	V49-T71 PolarHBondContact O-N 2.8Å; L50-T71 WeakPolarHBondContact CA-O 3.14Å; L50-T71 HydrophobicContact CD2-CG2 4.44Å; C51-T71 PolarHBondContact N-O 3.19Å; T71-S95 WeakPolarHBondContact CA-O 3.41Å
72	I	98.7	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.9	171.8	-54.1	178.1	0	0	0	107.8	C51 L56 I59 L70 A75 I77 S95 L96 S97 C99	C51-I72 HydrophobicContact CB-CG1 4.22Å; C51-I72 HydrophobicContact CB-CG2 4.26Å; C51-I72 CarbonylContact O-C 3.29Å; C51-I72 WeakPolarHBondContact O-CA 3.42Å; L56-I72 HydrophobicContact CD1-CD1 4.3Å; L56-I72 HydrophobicContact CD1-CG2 4.04Å; I59-I72 HydrophobicContact CD1-CD1 3.94Å; L70-I72 HydrophobicContact CD1-CD1 4.14Å; L70-I72 HydrophobicContact CD1-CG1 3.87Å; L70-I72 HydrophobicContact CD2-CD1 4.28Å; L70-I72 HydrophobicContact CG-CD1 4.33Å; L70-I72 HydrophobicContact CG-CG1 4.16Å; I72-A75 HydrophobicContact CG2-CB 3.76Å; I72-I77 HydrophobicContact CD1-CD1 4.05Å; I72-I77 HydrophobicContact CG2-CD1 4.09Å; I72-S95 PolarHBondContact N-O 3.33Å; I72-L96 HydrophobicContact CB-CD2 3.85Å; I72-L96 HydrophobicContact CD1-CD2 4.05Å; I72-L96 HydrophobicContact CG1-CD2 4.13Å; I72-L96 WeakPolarHBondContact O-CA 3.44Å; I72-S97 PolarHBondContact O-N 3.05Å; I72-C99 PolarHBondContact O-SG 2.96Å; I72-C99 VanDerWaalsContact O-SG 3.37Å
73	S	98.6	Very high	96.9	Very high	20 Å²	20	49 Å²	49	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.1	174.5	52.3	0	0	0	0	113.7	C51 D52 G53 A75 S97	C51-S73 PolarHBondContact O-N 3.47Å; D52-S73 WeakPolarHBondContact CA-O 3.37Å; D52-S73 WeakPolarHBondContact OD1-CB 3.02Å; D52-S73 PolarHBondContact OD1-OG 2.04Å; G53-S73 PolarHBondContact N-O 2.03Å; S73-A75 PolarHBondContact O-N 3.37Å; S73-S97 CarbonylContact C-O 3.58Å; S73-S97 WeakPolarHBondContact CA-O 3.06Å
74	R	98.5	Very high	96.9	Very high	138 Å²	138	50.3 Å²	50.3	52%	0.521	26%	0.259	S	S	.	.	S	Bend	trans	53.3	54.2	178.1	-52.2	-166.3	-63	-81.1	2.3	112.3	D52 G53 S97 N98	D52-R74 VanDerWaalsContact CG-NH1 3.28Å; D52-R74 IonicContact OD1-CZ 3.15Å; D52-R74 IonicContact OD1-NE 3.14Å; D52-R74 IonicContact OD1-NH1 2.94Å; D52-R74 PolarHBondContact OD1-NH1 3.01Å; D52-R74 IonicContact OD1-NH2 2.66Å; D52-R74 PolarHBondContact OD1-NH2 2.85Å; D52-R74 IonicContact OD2-CZ 3.51Å; D52-R74 IonicContact OD2-NH1 3.01Å; D52-R74 PolarHBondContact OD2-NH1 3.34Å; D52-R74 IonicContact OD2-NH2 2.85Å; D52-R74 PolarHBondContact OD2-NH2 3.36Å; G53-R74 WeakPolarHBondContact CA-O 3.45Å; R74-S97 PolarHBondContact N-O 3.49Å; R74-N98 WeakPolarHBondContact CA-O 3.38Å; R74-N98 PolarHBondContact N-O 3.35Å
75	A	97.8	Very high	97	Very high	14 Å²	14	50.3 Å²	50.3	12%	0.116	26%	0.259	C	S	.	.			trans	-118.9	-179.1	177.2	0	0	0	0	0	111.6	L56 I72 S73 I77 N98 C99	L56-A75 HydrophobicContact CB-CB 4.14Å; I72-A75 HydrophobicContact CG2-CB 3.76Å; S73-A75 PolarHBondContact O-N 3.37Å; A75-I77 HydrophobicContact CB-CD1 4.48Å; A75-I77 HydrophobicContact CB-CG1 4.36Å; A75-N98 PolarHBondContact N-O 3.41Å; A75-C99 CarbonylContact O-C 3.07Å; A75-C99 VanDerWaalsContact O-C 3.29Å; A75-C99 VanDerWaalsContact O-CA 3.3Å; A75-C99 WeakPolarHBondContact O-CA 3.5Å
76	N	97.1	Very high	97	Very high	71 Å²	71	54.5 Å²	54.5	38%	0.38	27%	0.265	S	S	.	.			trans	-126.3	56	-179.1	-163.2	70.4	0	0	0	112.5	L56 K57 E78	L56-N76 CarbonylContact O-C 3.57Å; L56-N76 WeakPolarHBondContact O-CA 3.36Å; L56-N76 PolarHBondContact O-N 3.07Å; K57-N76 WeakPolarHBondContact CA-O 3.32Å; N76-E78 PolarHBondContact ND2-OE1 3.29Å
77	I	97.1	Very high	97	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.031	27%	0.268	C	S	.	.			trans	-78.3	-39.3	-174.2	-66.9	170.6	0	0	0	111.7	L56 K57 I59 I72 A75 Q79 I80 C99 L101	L56-I77 HydrophobicContact CB-CG1 4.39Å; L56-I77 WeakPolarHBondContact O-CG1 3.17Å; L56-I77 PolarHBondContact O-N 3.21Å; K57-I77 WeakPolarHBondContact O-CA 3.46Å; I59-I77 HydrophobicContact CD1-CD1 4Å; I72-I77 HydrophobicContact CD1-CD1 4.05Å; I72-I77 HydrophobicContact CG2-CD1 4.09Å; A75-I77 HydrophobicContact CB-CD1 4.48Å; A75-I77 HydrophobicContact CB-CG1 4.36Å; I77-Q79 WeakPolarHBondContact CG2-O 3.45Å; I77-Q79 PolarHBondContact O-N 2.99Å; I77-I80 HydrophobicContact CG2-CG2 3.88Å; I77-C99 HydrophobicContact CB-CB 4.45Å; I77-C99 HydrophobicContact CD1-CB 4.35Å; I77-C99 PolarHBondContact N-O 2.92Å; I77-L101 HydrophobicContact CB-CD2 4.23Å; I77-L101 HydrophobicContact CG2-CD2 3.86Å
78	E	95.3	Very high	96.9	Very high	84 Å²	84	55.1 Å²	55.1	39%	0.393	27%	0.268	S	S	.	.			trans	62.3	-40.1	179.4	-60.3	179.9	-160.1	0	0	117	N76 C99 G100 L101 L102	N76-E78 PolarHBondContact ND2-OE1 3.29Å; E78-C99 PolarHBondContact N-O 3.18Å; E78-G100 WeakPolarHBondContact CA-O 3.45Å; E78-L101 WeakPolarHBondContact O-CA 3.38Å; E78-L102 PolarHBondContact O-N 2.87Å
79	Q	95.4	Very high	96.8	Very high	112 Å²	112	52.2 Å²	52.2	52%	0.523	26%	0.263	S	S	.	.			trans	-138.7	144	-176.4	-62.2	-177.2	3	0	0	111.4	I77	I77-Q79 WeakPolarHBondContact CG2-O 3.45Å; I77-Q79 PolarHBondContact O-N 2.99Å
80	I	97.5	Very high	96.7	Very high	9 Å²	9	54 Å²	54	5%	0.046	27%	0.27	C	S	.	.			trans	-137.3	147.3	171.2	51.8	169.7	0	0	0	109	I59 I77 D84 F85 L96 L101 T108 F109	I59-I80 HydrophobicContact CD1-CG2 4.14Å; I59-I80 HydrophobicContact CG1-CG2 4.01Å; I77-I80 HydrophobicContact CG2-CG2 3.88Å; I80-D84 WeakPolarHBondContact CA-OD2 3.29Å; I80-F85 HydrophobicContact CB-CE2 4.15Å; I80-F85 HydrophobicContact CB-CZ 4.5Å; I80-F85 HydrophobicContact CD1-CE2 4.29Å; I80-F85 HydrophobicContact CD1-CZ 4.45Å; I80-F85 HydrophobicContact CG2-CZ 4.38Å; I80-L96 HydrophobicContact CD1-CD1 4.08Å; I80-L96 HydrophobicContact CG2-CD1 4.49Å; I80-L101 HydrophobicContact CD1-CD1 4.04Å; I80-L101 HydrophobicContact CG1-CD1 4.45Å; I80-L101 HydrophobicContact CG1-CD2 4.22Å; I80-L101 HydrophobicContact CG2-CD2 3.86Å; I80-T108 HydrophobicContact CB-CG2 4.27Å; I80-T108 HydrophobicContact CD1-CG2 3.83Å; I80-T108 HydrophobicContact CG1-CG2 3.85Å; I80-F109 HydrophobicContact CD1-CE1 3.82Å; I80-F109 HydrophobicContact CD1-CZ 3.67Å
81	G	96	Very high	96.7	Very high	19 Å²	19	53.9 Å²	53.9	20%	0.196	27%	0.269	C	S	.	.			trans	-144.6	179.3	177.8	0	0	0	0	0	112.7	D83 D84	G81-D83 VanDerWaalsContact C-N 3.27Å; G81-D83 PolarHBondContact O-N 3.07Å; G81-D84 PolarHBondContact N-OD2 3.14Å; G81-D84 WeakPolarHBondContact O-CB 3.24Å; G81-D84 PolarHBondContact O-N 2.77Å
82	A	95	Very high	96.7	Very high	44 Å²	44	53.9 Å²	53.9	36%	0.364	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60	-35.3	-175.9	0	0	0	0	0	113.7	D84 F85 T108	A82-D84 VanDerWaalsContact C-N 3.32Å; A82-D84 PolarHBondContact O-N 3.07Å; A82-F85 PolarHBondContact O-N 3.12Å; A82-T108 WeakPolarHBondContact CA-O 3.37Å
83	D	95	Very high	96.7	Very high	122 Å²	122	59.5 Å²	59.5	65%	0.652	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-69.7	-28.3	-178.2	-75.6	-34.6	0	0	0	112.9	G81 F85 R86	G81-D83 VanDerWaalsContact C-N 3.27Å; G81-D83 PolarHBondContact O-N 3.07Å; D83-F85 PolarHBondContact O-N 2.77Å; D83-R86 WeakPolarHBondContact O-CB 3.27Å; D83-R86 PolarHBondContact O-N 3.12Å
84	D	96.7	Very high	96.7	Very high	34 Å²	34	58.7 Å²	58.7	18%	0.182	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-62.5	-27.1	-179.9	-69.2	-51	0	0	0	113	I59 Q61 I80 G81 A82	I59-D84 HydrophobicContact CB-CB 4.02Å; I59-D84 HydrophobicContact CG1-CB 3.91Å; Q61-D84 PolarHBondContact NE2-O 2.85Å; Q61-D84 VanDerWaalsContact NE2-O 3.12Å; I80-D84 WeakPolarHBondContact CA-OD2 3.29Å; G81-D84 PolarHBondContact N-OD2 3.14Å; G81-D84 WeakPolarHBondContact O-CB 3.24Å; G81-D84 PolarHBondContact O-N 2.77Å; A82-D84 VanDerWaalsContact C-N 3.32Å; A82-D84 PolarHBondContact O-N 3.07Å
85	F	96.8	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-108.3	-1.4	-174.3	-62.4	-67.3	0	0	0	113.6	I59 I80 A82 D83 F87 F88 L94 T108 F109 L112	I59-F85 HydrophobicContact CD1-CE1 4.14Å; I59-F85 HydrophobicContact CD1-CZ 4.09Å; I59-F85 HydrophobicContact CG1-CE1 4.09Å; I59-F85 HydrophobicContact CG1-CZ 4.01Å; I59-F85 HydrophobicContact CG2-CE1 4.33Å; I80-F85 HydrophobicContact CB-CE2 4.15Å; I80-F85 HydrophobicContact CB-CZ 4.5Å; I80-F85 HydrophobicContact CD1-CE2 4.29Å; I80-F85 HydrophobicContact CD1-CZ 4.45Å; I80-F85 HydrophobicContact CG2-CZ 4.38Å; A82-F85 PolarHBondContact O-N 3.12Å; D83-F85 PolarHBondContact O-N 2.77Å; F85-F87 PolarHBondContact O-N 3.1Å; F85-F88 PolarHBondContact O-N 3.06Å; F85-F88 VanDerWaalsContact O-N 3.07Å; F85-L94 HydrophobicContact CE1-CD1 4.16Å; F85-L94 HydrophobicContact CE1-CD2 3.81Å; F85-L94 HydrophobicContact CZ-CD2 3.86Å; F85-T108 HydrophobicContact CE2-CG2 4.18Å; F85-F109 HydrophobicContact CD2-CD1 4.15Å; F85-F109 HydrophobicContact CD2-CE1 4.5Å; F85-F109 AromaticContact CE2-CD1 3.87Å; F85-F109 HydrophobicContact CE2-CD1 3.87Å; F85-F109 AromaticContact CE2-CE1 3.76Å; F85-F109 HydrophobicContact CE2-CE1 3.76Å; F85-F109 HydrophobicContact CZ-CD1 4.37Å; F85-F109 HydrophobicContact CZ-CE1 4.04Å; F85-L112 HydrophobicContact CB-CD1 4.04Å; F85-L112 HydrophobicContact CB-CD2 3.74Å; F85-L112 HydrophobicContact CB-CG 3.85Å; F85-L112 HydrophobicContact CD1-CD1 3.97Å; F85-L112 HydrophobicContact CD1-CD2 4.47Å; F85-L112 HydrophobicContact CD2-CD1 4.45Å; F85-L112 HydrophobicContact CG-CD1 3.89Å; F85-L112 HydrophobicContact CG-CD2 4.37Å; F85-L112 HydrophobicContact CG-CG 4.27Å
86	R	94.5	Very high	96.8	Very high	162 Å²	162	52.7 Å²	52.7	61%	0.611	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.2	-172.6	180	177.7	173.9	175.4	-2	113.6	D83	D83-R86 WeakPolarHBondContact O-CB 3.27Å; D83-R86 PolarHBondContact O-N 3.12Å
87	F	94.4	Very high	96.8	Very high	122 Å²	122	50.4 Å²	50.4	54%	0.535	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1	-177.6	-58.7	-69.4	0	0	0	114.1	F85 P89	F85-F87 PolarHBondContact O-N 3.1Å; F87-P89 VanDerWaalsContact O-CD 3.27Å; F87-P89 WeakPolarHBondContact O-CD 3.44Å
88	F	96.4	Very high	96.9	Very high	1 Å²	1	54 Å²	54	0%	0.004	27%	0.269	C	S	.	.			trans	-120.3	52.1	-178.1	-44.9	-58.2	0	0	0	112.7	I59 P60 M63 L67 F85 H90 L91 L112	I59-F88 HydrophobicContact CG2-CE2 4.28Å; P60-F88 WeakPolarHBondContact O-CZ 3.5Å; M63-F88 HydrophobicContact CB-CD1 4.49Å; M63-F88 HydrophobicContact CB-CE1 3.69Å; M63-F88 HydrophobicContact CB-CZ 4.01Å; M63-F88 HydrophobicContact CE-CD2 4.34Å; M63-F88 HydrophobicContact CE-CE1 4.29Å; M63-F88 HydrophobicContact CE-CE2 3.72Å; M63-F88 HydrophobicContact CE-CZ 3.7Å; L67-F88 HydrophobicContact CB-CD1 4.37Å; L67-F88 HydrophobicContact CD2-CD1 4.25Å; L67-F88 HydrophobicContact CD2-CG 4.36Å; F85-F88 PolarHBondContact O-N 3.06Å; F85-F88 VanDerWaalsContact O-N 3.07Å; F88-H90 PolarHBondContact O-N 3.07Å; F88-L91 HydrophobicContact CB-CB 4.44Å; F88-L91 WeakPolarHBondContact O-CB 3.48Å; F88-L91 PolarHBondContact O-N 3.05Å; F88-L91 VanDerWaalsContact O-N 3.1Å; F88-L112 VanDerWaalsContact O-CD2 3.24Å; F88-L112 WeakPolarHBondContact O-CD2 3.41Å
89	P	95.2	Very high	97	Very high	46 Å²	46	50 Å²	50	30%	0.299	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.3	-172.8	30.5	-38	0	0	0	114.3	F87 H114	F87-P89 VanDerWaalsContact O-CD 3.27Å; F87-P89 WeakPolarHBondContact O-CD 3.44Å; P89-H114 PolarHBondContact O-ND1 3.38Å
90	H	97.2	Very high	97.1	Very high	81 Å²	81	45.6 Å²	45.6	38%	0.375	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	3.5	179	-63.9	-59.8	0	0	0	113.8	L67 F88 E92 H114	L67-H90 CarbonylContact O-C 3.2Å; L67-H90 VanDerWaalsContact O-C 3.28Å; F88-H90 PolarHBondContact O-N 3.07Å; H90-E92 PolarHBondContact O-N 2.92Å; H90-H114 AromaticContact ND1-CE1 3.93Å; H90-H114 AromaticContact ND1-ND1 3.96Å
91	L	98.5	Very high	97.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.			trans	-60.7	129.6	178.4	-163	71.8	0	0	0	110.3	L67 R68 L70 F88 L94 L112 H114 L115	L67-L91 HydrophobicContact CB-CD1 4.43Å; L67-L91 HydrophobicContact CD2-CD1 3.85Å; L67-L91 HydrophobicContact CG-CD1 3.7Å; L67-L91 WeakPolarHBondContact O-CA 3.28Å; L67-L91 PolarHBondContact O-N 3.48Å; R68-L91 WeakPolarHBondContact O-CD1 3.34Å; L70-L91 HydrophobicContact CB-CD1 3.82Å; L70-L91 HydrophobicContact CB-CD2 4.36Å; F88-L91 HydrophobicContact CB-CB 4.44Å; F88-L91 WeakPolarHBondContact O-CB 3.48Å; F88-L91 PolarHBondContact O-N 3.05Å; F88-L91 VanDerWaalsContact O-N 3.1Å; L91-L94 HydrophobicContact CD2-CB 4.01Å; L91-L94 HydrophobicContact CD2-CD1 4.25Å; L91-L112 HydrophobicContact CB-CD2 3.93Å; L91-L112 HydrophobicContact CD2-CD1 4.17Å; L91-L112 HydrophobicContact CD2-CD2 4.22Å; L91-H114 CarbonylContact O-C 3.54Å; L91-H114 VanDerWaalsContact O-C 3.27Å; L91-L115 HydrophobicContact CB-CD1 4.18Å; L91-L115 HydrophobicContact CD2-CD1 3.96Å; L91-L115 HydrophobicContact CG-CD1 3.91Å; L91-L115 WeakPolarHBondContact O-CA 3.48Å; L91-L115 PolarHBondContact O-N 3.06Å; L91-L115 VanDerWaalsContact O-N 3.09Å
92	E	98.8	Very high	97.2	Very high	47 Å²	47	47.6 Å²	47.6	22%	0.22	24%	0.24	C	C	.	.			trans	-108.9	-32.3	-179.9	-67	-177.7	-171.5	0	0	112	R68 H90 Q116 F117	R68-E92 HydrophobicContact CB-CG 4.48Å; R68-E92 IonicContact CZ-OE1 3.67Å; R68-E92 IonicContact NH1-OE1 2.95Å; R68-E92 PolarHBondContact NH1-OE1 3.01Å; R68-E92 WeakPolarHBondContact O-CA 3.04Å; R68-E92 PolarHBondContact O-N 2.98Å; H90-E92 PolarHBondContact O-N 2.92Å; E92-Q116 PolarHBondContact O-N 3.32Å; E92-F117 PolarHBondContact O-N 3.18Å
93	R	98.9	Very high	97.4	Very high	117 Å²	117	50.3 Å²	50.3	44%	0.442	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125	-179	-62	-178.6	173.3	-91.1	-1.4	110.6	R68 N69 L70 F117	R68-R93 PolarHBondContact O-N 2.82Å; N69-R93 WeakPolarHBondContact OD1-CB 3.12Å; N69-R93 WeakPolarHBondContact OD1-CD 3.45Å; N69-R93 WeakPolarHBondContact OD1-CG 3.43Å; L70-R93 PolarHBondContact N-O 2.65Å; R93-F117 HydrophobicContact CG-CB 4.16Å; R93-F117 HydrophobicContact CG-CD2 3.7Å; R93-F117 HydrophobicContact CG-CG 4.26Å; R93-F117 VanDerWaalsContact CZ-CD2 3.46Å; R93-F117 VanDerWaalsContact CZ-CE2 3.49Å; R93-F117 VanDerWaalsContact NH2-CE2 3.26Å
94	L	98.8	Very high	97.5	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.9	173.5	178.3	60.5	0	0	0	110	L70 F85 L91 L96 F109 L112 L115 F117 I118 T119	L70-L94 HydrophobicContact CB-CD1 4.16Å; L70-L94 HydrophobicContact CD2-CD1 3.85Å; L70-L94 HydrophobicContact CG-CD1 4.09Å; F85-L94 HydrophobicContact CE1-CD1 4.16Å; F85-L94 HydrophobicContact CE1-CD2 3.81Å; F85-L94 HydrophobicContact CZ-CD2 3.86Å; L91-L94 HydrophobicContact CD2-CB 4.01Å; L91-L94 HydrophobicContact CD2-CD1 4.25Å; L94-L96 HydrophobicContact CD1-CD1 4.33Å; L94-L96 HydrophobicContact CD1-CD2 3.94Å; L94-L96 HydrophobicContact CD1-CG 3.93Å; L94-L96 HydrophobicContact CD2-CD1 4.4Å; L94-L96 HydrophobicContact CG-CD1 4.46Å; L94-L96 HydrophobicContact CG-CG 4.2Å; L94-F109 HydrophobicContact CD2-CD1 4.03Å; L94-F109 HydrophobicContact CD2-CE1 3.65Å; L94-L112 HydrophobicContact CD2-CD1 4.36Å; L94-L115 HydrophobicContact CB-CD1 4.03Å; L94-F117 PolarHBondContact N-O 3.2Å; L94-I118 CarbonylContact O-C 3.27Å; L94-I118 WeakPolarHBondContact O-CA 3.47Å; L94-T119 PolarHBondContact O-N 2.94Å
95	S	98.8	Very high	97.6	Very high	26 Å²	26	46.9 Å²	46.9	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.2	174.2	178.5	0	0	0	0	109.8	L70 T71 I72 T119	L70-S95 PolarHBondContact O-N 3.46Å; T71-S95 WeakPolarHBondContact CA-O 3.41Å; I72-S95 PolarHBondContact N-O 3.33Å; S95-T119 WeakPolarHBondContact CA-OG1 3.21Å; S95-T119 WeakPolarHBondContact CB-OG1 3.49Å; S95-T119 PolarHBondContact OG-OG1 3.01Å; S95-T119 VanDerWaalsContact OG-OG1 3.09Å
96	L	98.7	Very high	97.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	104.1	175.9	-58.5	178.3	0	0	0	108.2	I59 I72 I80 L94 L101 T119 L120 L121 N123	I59-L96 HydrophobicContact CD1-CD2 4.18Å; I72-L96 HydrophobicContact CB-CD2 3.85Å; I72-L96 HydrophobicContact CD1-CD2 4.05Å; I72-L96 HydrophobicContact CG1-CD2 4.13Å; I72-L96 WeakPolarHBondContact O-CA 3.44Å; I80-L96 HydrophobicContact CD1-CD1 4.08Å; I80-L96 HydrophobicContact CG2-CD1 4.49Å; L94-L96 HydrophobicContact CD1-CD1 4.33Å; L94-L96 HydrophobicContact CD1-CD2 3.94Å; L94-L96 HydrophobicContact CD1-CG 3.93Å; L94-L96 HydrophobicContact CD2-CD1 4.4Å; L94-L96 HydrophobicContact CG-CD1 4.46Å; L94-L96 HydrophobicContact CG-CG 4.2Å; L96-L101 HydrophobicContact CB-CD1 4.14Å; L96-L101 HydrophobicContact CD1-CD1 3.82Å; L96-T119 PolarHBondContact N-O 2.9Å; L96-L120 HydrophobicContact CB-CD2 4Å; L96-L120 HydrophobicContact CD1-CD2 4.17Å; L96-L120 HydrophobicContact CG-CD2 4.4Å; L96-L121 PolarHBondContact O-N 3.1Å; L96-L121 VanDerWaalsContact O-N 3.1Å; L96-N123 PolarHBondContact O-ND2 2.95Å
97	S	98.6	Very high	97.8	Very high	24 Å²	24	49.7 Å²	49.7	17%	0.168	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.6	-173	-175.1	0	0	0	0	112.1	I72 S73 R74 C99 L121	I72-S97 PolarHBondContact O-N 3.05Å; S73-S97 CarbonylContact C-O 3.58Å; S73-S97 WeakPolarHBondContact CA-O 3.06Å; R74-S97 PolarHBondContact N-O 3.49Å; S97-C99 VanDerWaalsContact C-N 3.33Å; S97-C99 PolarHBondContact O-N 2.93Å; S97-L121 CarbonylContact C-O 3.41Å; S97-L121 WeakPolarHBondContact CA-O 3.26Å
98	N	98.2	Very high	97.9	Very high	81 Å²	81	44 Å²	44	43%	0.433	21%	0.212	S	C	.	.	S	Bend	trans	54	49.4	-179.4	-166.7	44.1	0	0	0	112	R74 A75 L121 H122	R74-N98 WeakPolarHBondContact CA-O 3.38Å; R74-N98 PolarHBondContact N-O 3.35Å; A75-N98 PolarHBondContact N-O 3.41Å; N98-L121 PolarHBondContact N-O 2.96Å; N98-H122 WeakPolarHBondContact CA-O 3.11Å; N98-H122 HydrophobicContact CB-CB 4.32Å
99	C	98.1	Very high	98	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-102.1	5	179.8	-62.6	0	0	0	0	113	I72 A75 I77 E78 S97 L101 N123	I72-C99 PolarHBondContact O-SG 2.96Å; I72-C99 VanDerWaalsContact O-SG 3.37Å; A75-C99 CarbonylContact O-C 3.07Å; A75-C99 VanDerWaalsContact O-C 3.29Å; A75-C99 VanDerWaalsContact O-CA 3.3Å; A75-C99 WeakPolarHBondContact O-CA 3.5Å; I77-C99 HydrophobicContact CB-CB 4.45Å; I77-C99 HydrophobicContact CD1-CB 4.35Å; I77-C99 PolarHBondContact N-O 2.92Å; E78-C99 PolarHBondContact N-O 3.18Å; S97-C99 VanDerWaalsContact C-N 3.33Å; S97-C99 PolarHBondContact O-N 2.93Å; C99-L101 VanDerWaalsContact C-N 3.32Å; C99-L101 HydrophobicContact CB-CG 4.31Å; C99-L101 PolarHBondContact O-N 3.01Å; C99-N123 WeakPolarHBondContact CA-OD1 3.18Å; C99-N123 PolarHBondContact N-OD1 2.78Å
100	G	97.5	Very high	98.1	Very high	20 Å²	20	43.8 Å²	43.8	21%	0.206	21%	0.214	C	C	.	.			trans	76.3	10.5	-178.5	0	0	0	0	0	115.2	E78 L102 N123	E78-G100 WeakPolarHBondContact CA-O 3.45Å; G100-L102 PolarHBondContact O-N 2.66Å; G100-N123 PolarHBondContact N-OD1 3.21Å
101	L	98.1	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.			trans	-58.4	125.8	-175.8	-61	177.2	0	0	0	112.2	I77 E78 I80 L96 C99 L120 N123 P124 L125	I77-L101 HydrophobicContact CB-CD2 4.23Å; I77-L101 HydrophobicContact CG2-CD2 3.86Å; E78-L101 WeakPolarHBondContact O-CA 3.38Å; I80-L101 HydrophobicContact CD1-CD1 4.04Å; I80-L101 HydrophobicContact CG1-CD1 4.45Å; I80-L101 HydrophobicContact CG1-CD2 4.22Å; I80-L101 HydrophobicContact CG2-CD2 3.86Å; L96-L101 HydrophobicContact CB-CD1 4.14Å; L96-L101 HydrophobicContact CD1-CD1 3.82Å; C99-L101 VanDerWaalsContact C-N 3.32Å; C99-L101 HydrophobicContact CB-CG 4.31Å; C99-L101 PolarHBondContact O-N 3.01Å; L101-L120 HydrophobicContact CD1-CD2 4.34Å; L101-N123 HydrophobicContact CB-CB 3.92Å; L101-N123 PolarHBondContact N-OD1 2.93Å; L101-P124 CarbonylContact O-C 3.57Å; L101-P124 VanDerWaalsContact O-C 3.27Å; L101-P124 WeakPolarHBondContact O-CD 3.35Å; L101-L125 HydrophobicContact CB-CD2 3.89Å; L101-L125 PolarHBondContact O-N 2.89Å
102	L	98	Very high	97.9	Very high	69 Å²	69	41.7 Å²	41.7	36%	0.361	21%	0.211	S	C	.	.			trans	-94.1	-32.6	-176.9	-62.5	175.5	0	0	0	113.1	E78 G100 P124 L125 S126	E78-L102 PolarHBondContact O-N 2.87Å; G100-L102 PolarHBondContact O-N 2.66Å; L102-P124 HydrophobicContact CD2-CG 4.08Å; L102-L125 CarbonylContact O-C 3.52Å; L102-L125 WeakPolarHBondContact O-CA 3.18Å; L102-S126 PolarHBondContact O-N 3.34Å; L102-S126 PolarHBondContact O-OG 3.09Å; L102-S126 VanDerWaalsContact O-OG 3.12Å
103	R	97.8	Very high	97.6	Very high	102 Å²	102	41.6 Å²	41.6	39%	0.385	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.5	-179.6	66.6	-179.3	87.2	157.7	1.6	111.3	E105 E127	R103-E105 WeakPolarHBondContact CD-OE1 3.45Å; R103-E105 HydrophobicContact CG-CG 4.19Å; R103-E105 IonicContact NH1-OE1 3.72Å; R103-E105 PolarHBondContact NH1-OE1 2.93Å; R103-E127 VanDerWaalsContact CA-O 3.29Å; R103-E127 WeakPolarHBondContact CA-O 3.33Å; R103-E127 HydrophobicContact CB-CB 4.19Å
104	V	98.3	Very high	97.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.1	163.4	-178.3	0	0	0	0	107.1	T108 F109 L120 L125 E127 L128 S129 S132	V104-T108 HydrophobicContact CG1-CG2 4.21Å; V104-F109 HydrophobicContact CG1-CD2 4.47Å; V104-F109 HydrophobicContact CG1-CE2 3.69Å; V104-F109 HydrophobicContact CG1-CZ 4.26Å; V104-L120 HydrophobicContact CG2-CD1 3.92Å; V104-L125 HydrophobicContact CG2-CD2 4.03Å; V104-E127 PolarHBondContact N-O 3.23Å; V104-E127 VanDerWaalsContact N-O 3.12Å; V104-L128 HydrophobicContact CB-CD2 3.77Å; V104-L128 HydrophobicContact CG2-CD2 3.71Å; V104-S129 PolarHBondContact O-N 3.1Å; V104-S129 PolarHBondContact O-OG 2.95Å; V104-S132 PolarHBondContact O-OG 3.01Å
105	E	97.4	Very high	97.5	Very high	84 Å²	84	39.6 Å²	39.6	39%	0.393	21%	0.211	S	C	.	.			trans	-85.4	165.5	-179.3	-60.5	-170.1	163.7	0	0	110.7	R103 Y107 T108 S132	R103-E105 WeakPolarHBondContact CD-OE1 3.45Å; R103-E105 HydrophobicContact CG-CG 4.19Å; R103-E105 IonicContact NH1-OE1 3.72Å; R103-E105 PolarHBondContact NH1-OE1 2.93Å; E105-Y107 PolarHBondContact O-N 2.94Å; E105-T108 PolarHBondContact N-OG1 2.88Å; E105-T108 WeakPolarHBondContact O-CB 3.31Å; E105-T108 PolarHBondContact O-N 2.81Å; E105-T108 PolarHBondContact O-OG1 3.06Å; E105-S132 WeakPolarHBondContact O-CA 3.32Å
106	E	97.7	Very high	97.5	Very high	116 Å²	116	40.5 Å²	40.5	54%	0.542	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	136.4	175.2	57.5	-163.8	-149	0	0	112.3	T108 S130	E106-T108 PolarHBondContact O-N 2.6Å; E106-S130 WeakPolarHBondContact CB-O 3.48Å
107	Y	97.4	Very high	97.5	Very high	105 Å²	105	42.3 Å²	42.3	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	13.8	176.7	-45.5	-69.7	0	0	0	116.1	E105 F109 A110 Y131	E105-Y107 PolarHBondContact O-N 2.94Å; Y107-F109 PolarHBondContact O-N 2.81Å; Y107-A110 VanDerWaalsContact O-CB 3.28Å; Y107-A110 WeakPolarHBondContact O-CB 3.43Å; Y107-A110 PolarHBondContact O-N 3.32Å; Y107-Y131 PolarHBondContact N-O 2.9Å
108	T	98.1	Very high	97.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-37.7	179.5	-66.7	0	0	0	0	113.2	I80 A82 F85 V104 E105 E106	I80-T108 HydrophobicContact CB-CG2 4.27Å; I80-T108 HydrophobicContact CD1-CG2 3.83Å; I80-T108 HydrophobicContact CG1-CG2 3.85Å; A82-T108 WeakPolarHBondContact CA-O 3.37Å; F85-T108 HydrophobicContact CE2-CG2 4.18Å; V104-T108 HydrophobicContact CG1-CG2 4.21Å; E105-T108 PolarHBondContact N-OG1 2.88Å; E105-T108 WeakPolarHBondContact O-CB 3.31Å; E105-T108 PolarHBondContact O-N 2.81Å; E105-T108 PolarHBondContact O-OG1 3.06Å; E106-T108 PolarHBondContact O-N 2.6Å
109	F	98.2	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	10.3	-177	-51.5	-69.6	0	0	0	114	I80 F85 L94 V104 Y107 A111 L112 I118 F133 L136	I80-F109 HydrophobicContact CD1-CE1 3.82Å; I80-F109 HydrophobicContact CD1-CZ 3.67Å; F85-F109 HydrophobicContact CD2-CD1 4.15Å; F85-F109 HydrophobicContact CD2-CE1 4.5Å; F85-F109 AromaticContact CE2-CD1 3.87Å; F85-F109 HydrophobicContact CE2-CD1 3.87Å; F85-F109 AromaticContact CE2-CE1 3.76Å; F85-F109 HydrophobicContact CE2-CE1 3.76Å; F85-F109 HydrophobicContact CZ-CD1 4.37Å; F85-F109 HydrophobicContact CZ-CE1 4.04Å; L94-F109 HydrophobicContact CD2-CD1 4.03Å; L94-F109 HydrophobicContact CD2-CE1 3.65Å; V104-F109 HydrophobicContact CG1-CD2 4.47Å; V104-F109 HydrophobicContact CG1-CE2 3.69Å; V104-F109 HydrophobicContact CG1-CZ 4.26Å; Y107-F109 PolarHBondContact O-N 2.81Å; F109-A111 PolarHBondContact O-N 2.84Å; F109-A111 VanDerWaalsContact O-N 3.09Å; F109-L112 HydrophobicContact CB-CD1 4.25Å; F109-L112 HydrophobicContact CD1-CD1 4Å; F109-L112 WeakPolarHBondContact O-CB 3.49Å; F109-L112 PolarHBondContact O-N 2.87Å; F109-I118 HydrophobicContact CD2-CD1 4.17Å; F109-I118 HydrophobicContact CE2-CD1 4.42Å; F109-I118 HydrophobicContact CG-CD1 4.28Å; F109-F133 AromaticContact CD2-CD1 3.84Å; F109-F133 HydrophobicContact CD2-CD1 3.84Å; F109-F133 HydrophobicContact CD2-CE1 4.07Å; F109-F133 AromaticContact CE2-CD1 3.83Å; F109-F133 HydrophobicContact CE2-CD1 3.83Å; F109-F133 AromaticContact CE2-CE1 3.56Å; F109-F133 HydrophobicContact CE2-CE1 3.56Å; F109-F133 HydrophobicContact CE2-CZ 4.38Å; F109-L136 HydrophobicContact CB-CD1 4.01Å; F109-L136 HydrophobicContact CB-CD2 3.79Å; F109-L136 HydrophobicContact CB-CG 4.23Å; F109-L136 VanDerWaalsContact O-CD2 3.24Å; F109-L136 WeakPolarHBondContact O-CD2 3.27Å
110	A	96	Very high	97.6	Very high	43 Å²	43	38.6 Å²	38.6	36%	0.355	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25	-169	0	0	0	0	0	114.4	Y107 L112	Y107-A110 VanDerWaalsContact O-CB 3.28Å; Y107-A110 WeakPolarHBondContact O-CB 3.43Å; Y107-A110 PolarHBondContact O-N 3.32Å; A110-L112 VanDerWaalsContact C-N 3.31Å
111	A	94.8	Very high	97.6	Very high	38 Å²	38	39.7 Å²	39.7	31%	0.314	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.5	175.8	0	0	0	0	0	113.5	F109 S113	F109-A111 PolarHBondContact O-N 2.84Å; F109-A111 VanDerWaalsContact O-N 3.09Å; A111-S113 PolarHBondContact O-N 2.93Å
112	L	97.2	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.			trans	-84.6	62.9	-172.4	-59.7	-179.9	0	0	0	111.8	F85 F88 L91 L94 F109 A110 H114 L115 L136	F85-L112 HydrophobicContact CB-CD1 4.04Å; F85-L112 HydrophobicContact CB-CD2 3.74Å; F85-L112 HydrophobicContact CB-CG 3.85Å; F85-L112 HydrophobicContact CD1-CD1 3.97Å; F85-L112 HydrophobicContact CD1-CD2 4.47Å; F85-L112 HydrophobicContact CD2-CD1 4.45Å; F85-L112 HydrophobicContact CG-CD1 3.89Å; F85-L112 HydrophobicContact CG-CD2 4.37Å; F85-L112 HydrophobicContact CG-CG 4.27Å; F88-L112 VanDerWaalsContact O-CD2 3.24Å; F88-L112 WeakPolarHBondContact O-CD2 3.41Å; L91-L112 HydrophobicContact CB-CD2 3.93Å; L91-L112 HydrophobicContact CD2-CD1 4.17Å; L91-L112 HydrophobicContact CD2-CD2 4.22Å; L94-L112 HydrophobicContact CD2-CD1 4.36Å; F109-L112 HydrophobicContact CB-CD1 4.25Å; F109-L112 HydrophobicContact CD1-CD1 4Å; F109-L112 WeakPolarHBondContact O-CB 3.49Å; F109-L112 PolarHBondContact O-N 2.87Å; A110-L112 VanDerWaalsContact C-N 3.31Å; L112-H114 PolarHBondContact O-N 2.95Å; L112-H114 VanDerWaalsContact O-N 3.13Å; L112-L115 HydrophobicContact CB-CB 3.87Å; L112-L115 HydrophobicContact CB-CD2 3.95Å; L112-L115 HydrophobicContact CB-CG 4.38Å; L112-L115 HydrophobicContact CD1-CD1 4.27Å; L112-L115 HydrophobicContact CD1-CD2 3.68Å; L112-L115 HydrophobicContact CG-CD2 4.48Å; L112-L115 VanDerWaalsContact O-CB 3.27Å; L112-L115 WeakPolarHBondContact O-CB 3.49Å; L112-L115 PolarHBondContact O-N 2.98Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L112-L136 HydrophobicContact CB-CD2 4.11Å; L112-L136 WeakPolarHBondContact O-CD2 3.18Å
113	S	93	Very high	97.6	Very high	44 Å²	44	41.9 Å²	41.9	31%	0.308	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.7	-172.4	62	0	0	0	0	115.3	A111 H138	A111-S113 PolarHBondContact O-N 2.93Å; S113-H138 PolarHBondContact O-ND1 3.35Å
114	H	97.6	Very high	97.6	Very high	78 Å²	78	39.6 Å²	39.6	36%	0.361	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.7	178.4	-67	83.4	0	0	0	113.9	P89 H90 L91 L112 Q116	P89-H114 PolarHBondContact O-ND1 3.38Å; H90-H114 AromaticContact ND1-CE1 3.93Å; H90-H114 AromaticContact ND1-ND1 3.96Å; L91-H114 CarbonylContact O-C 3.54Å; L91-H114 VanDerWaalsContact O-C 3.27Å; L112-H114 PolarHBondContact O-N 2.95Å; L112-H114 VanDerWaalsContact O-N 3.13Å; H114-Q116 WeakPolarHBondContact O-CG 3.48Å; H114-Q116 PolarHBondContact O-N 3.16Å
115	L	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.			trans	-65.3	131.2	-172.6	-158.7	69.6	0	0	0	110.9	L91 L94 L112 I118 L136 H138 L139	L91-L115 HydrophobicContact CB-CD1 4.18Å; L91-L115 HydrophobicContact CD2-CD1 3.96Å; L91-L115 HydrophobicContact CG-CD1 3.91Å; L91-L115 WeakPolarHBondContact O-CA 3.48Å; L91-L115 PolarHBondContact O-N 3.06Å; L91-L115 VanDerWaalsContact O-N 3.09Å; L94-L115 HydrophobicContact CB-CD1 4.03Å; L112-L115 HydrophobicContact CB-CB 3.87Å; L112-L115 HydrophobicContact CB-CD2 3.95Å; L112-L115 HydrophobicContact CB-CG 4.38Å; L112-L115 HydrophobicContact CD1-CD1 4.27Å; L112-L115 HydrophobicContact CD1-CD2 3.68Å; L112-L115 HydrophobicContact CG-CD2 4.48Å; L112-L115 VanDerWaalsContact O-CB 3.27Å; L112-L115 WeakPolarHBondContact O-CB 3.49Å; L112-L115 PolarHBondContact O-N 2.98Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L115-I118 HydrophobicContact CD2-CD1 3.51Å; L115-I118 HydrophobicContact CD2-CG1 3.36Å; L115-I118 HydrophobicContact CG-CG1 4.11Å; L115-L136 HydrophobicContact CB-CD2 4.17Å; L115-L136 HydrophobicContact CD2-CD2 3.98Å; L115-H138 CarbonylContact O-C 2.98Å; L115-L139 VanDerWaalsContact O-CA 3.25Å; L115-L139 WeakPolarHBondContact O-CA 3.43Å; L115-L139 PolarHBondContact O-N 3.43Å
116	Q	98.8	Very high	97.7	Very high	46 Å²	46	39 Å²	39	22%	0.215	21%	0.212	C	C	.	.			trans	-115.9	-29.1	-177.8	-60.6	-172.8	19.4	0	0	112.3	E92 H114 H138 K140 E141	E92-Q116 PolarHBondContact O-N 3.32Å; H114-Q116 WeakPolarHBondContact O-CG 3.48Å; H114-Q116 PolarHBondContact O-N 3.16Å; Q116-H138 WeakPolarHBondContact CA-O 3.19Å; Q116-H138 HydrophobicContact CG-CB 4.45Å; Q116-K140 HydrophobicContact CB-CD 4.45Å; Q116-K140 PolarHBondContact O-N 2.81Å; Q116-E141 PolarHBondContact O-N 3.09Å; Q116-E141 VanDerWaalsContact O-N 3.09Å
117	F	98.9	Very high	97.7	Very high	37 Å²	37	38 Å²	38	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.7	-175.8	-53.4	-92.8	0	0	0	110.4	E92 R93 L94 E141	E92-F117 PolarHBondContact O-N 3.18Å; R93-F117 HydrophobicContact CG-CB 4.16Å; R93-F117 HydrophobicContact CG-CD2 3.7Å; R93-F117 HydrophobicContact CG-CG 4.26Å; R93-F117 VanDerWaalsContact CZ-CD2 3.46Å; R93-F117 VanDerWaalsContact CZ-CE2 3.49Å; R93-F117 VanDerWaalsContact NH2-CE2 3.26Å; L94-F117 PolarHBondContact N-O 3.2Å; F117-E141 WeakPolarHBondContact CA-O 3.26Å; F117-E141 HydrophobicContact CD1-CB 3.72Å; F117-E141 HydrophobicContact CD1-CG 4.38Å; F117-E141 HydrophobicContact CE1-CB 4.15Å
118	I	98.8	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.5	168.4	-64.9	168.9	0	0	0	108.7	L94 F109 L115 L120 F133 L136 L139 E141 L142 I143	L94-I118 CarbonylContact O-C 3.27Å; L94-I118 WeakPolarHBondContact O-CA 3.47Å; F109-I118 HydrophobicContact CD2-CD1 4.17Å; F109-I118 HydrophobicContact CE2-CD1 4.42Å; F109-I118 HydrophobicContact CG-CD1 4.28Å; L115-I118 HydrophobicContact CD2-CD1 3.51Å; L115-I118 HydrophobicContact CD2-CG1 3.36Å; L115-I118 HydrophobicContact CG-CG1 4.11Å; I118-L120 HydrophobicContact CG2-CD2 4.16Å; I118-L120 HydrophobicContact CG2-CG 3.92Å; I118-F133 HydrophobicContact CD1-CD1 4.02Å; I118-F133 HydrophobicContact CD1-CE1 4.24Å; I118-F133 HydrophobicContact CG2-CE1 4.48Å; I118-L136 HydrophobicContact CD1-CD1 3.66Å; I118-L139 HydrophobicContact CB-CD1 4.28Å; I118-L139 HydrophobicContact CD1-CD1 3.89Å; I118-L139 HydrophobicContact CD1-CD2 4.23Å; I118-L139 HydrophobicContact CG1-CD1 3.79Å; I118-E141 PolarHBondContact N-O 3.18Å; I118-L142 HydrophobicContact CB-CD1 3.75Å; I118-L142 HydrophobicContact CG2-CD1 3.7Å; I118-L142 WeakPolarHBondContact O-CA 3.3Å; I118-I143 PolarHBondContact O-N 3.09Å
119	T	98.8	Very high	97.7	Very high	27 Å²	27	34.1 Å²	34.1	17%	0.166	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.6	165.5	65.3	0	0	0	0	110.4	L94 S95 L96 I143	L94-T119 PolarHBondContact O-N 2.94Å; S95-T119 WeakPolarHBondContact CA-OG1 3.21Å; S95-T119 WeakPolarHBondContact CB-OG1 3.49Å; S95-T119 PolarHBondContact OG-OG1 3.01Å; S95-T119 VanDerWaalsContact OG-OG1 3.09Å; L96-T119 PolarHBondContact N-O 2.9Å; T119-I143 WeakPolarHBondContact CA-O 3.32Å; T119-I143 HydrophobicContact CG2-CB 4.11Å; T119-I143 HydrophobicContact CG2-CD1 4.25Å; T119-I143 HydrophobicContact CG2-CG1 4.4Å
120	L	98.6	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	93.2	174.4	-58.4	-179.3	0	0	0	107.6	L96 L101 V104 I118 L125 F133 I143 R145	L96-L120 HydrophobicContact CB-CD2 4Å; L96-L120 HydrophobicContact CD1-CD2 4.17Å; L96-L120 HydrophobicContact CG-CD2 4.4Å; L101-L120 HydrophobicContact CD1-CD2 4.34Å; V104-L120 HydrophobicContact CG2-CD1 3.92Å; I118-L120 HydrophobicContact CG2-CD2 4.16Å; I118-L120 HydrophobicContact CG2-CG 3.92Å; L120-L125 HydrophobicContact CB-CD1 4.28Å; L120-L125 HydrophobicContact CD1-CD1 4.23Å; L120-F133 HydrophobicContact CD1-CE1 4.29Å; L120-F133 HydrophobicContact CD1-CZ 4.06Å; L120-I143 PolarHBondContact N-O 2.75Å; L120-R145 PolarHBondContact O-N 3.43Å
121	L	98.5	Very high	97.8	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.225	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.2	-169.8	-55.1	-179.3	0	0	0	111.5	L96 S97 N98 N123 I143 R145	L96-L121 PolarHBondContact O-N 3.1Å; L96-L121 VanDerWaalsContact O-N 3.1Å; S97-L121 CarbonylContact C-O 3.41Å; S97-L121 WeakPolarHBondContact CA-O 3.26Å; N98-L121 PolarHBondContact N-O 2.96Å; L121-N123 PolarHBondContact O-N 2.93Å; L121-N123 PolarHBondContact O-ND2 2.89Å; L121-I143 HydrophobicContact CD2-CG2 3.82Å; L121-R145 CarbonylContact C-O 3.59Å; L121-R145 HydrophobicContact CD2-CB 3.74Å; L121-R145 HydrophobicContact CD2-CG 3.55Å
122	H	97.8	Very high	98	Very high	113 Å²	113	35.4 Å²	35.4	52%	0.523	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.1	32.7	175.1	-49.6	118.9	0	0	0	114	N98 R145	N98-H122 WeakPolarHBondContact CA-O 3.11Å; N98-H122 HydrophobicContact CB-CB 4.32Å; H122-R145 PolarHBondContact N-O 2.93Å
123	N	98.3	Very high	98	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	142.9	170.2	-69.1	-65.1	0	0	0	109.4	L96 C99 G100 L101 L121 L125 T146	L96-N123 PolarHBondContact O-ND2 2.95Å; C99-N123 WeakPolarHBondContact CA-OD1 3.18Å; C99-N123 PolarHBondContact N-OD1 2.78Å; G100-N123 PolarHBondContact N-OD1 3.21Å; L101-N123 HydrophobicContact CB-CB 3.92Å; L101-N123 PolarHBondContact N-OD1 2.93Å; L121-N123 PolarHBondContact O-N 2.93Å; L121-N123 PolarHBondContact O-ND2 2.89Å; N123-L125 HydrophobicContact CB-CD1 4.43Å; N123-L125 HydrophobicContact CB-CG 3.97Å; N123-L125 PolarHBondContact O-N 3.38Å; N123-T146 VanDerWaalsContact O-CB 3.31Å; N123-T146 WeakPolarHBondContact O-CB 3.41Å; N123-T146 PolarHBondContact O-OG1 3.16Å
124	P	97.8	Very high	98.2	Very high	54 Å²	54	33.9 Å²	33.9	35%	0.351	18%	0.179	S	C	.	.			trans	-76.7	48.5	176.5	35.1	-37.5	0	0	0	112.1	L101 L102 S126 A148	L101-P124 CarbonylContact O-C 3.57Å; L101-P124 VanDerWaalsContact O-C 3.27Å; L101-P124 WeakPolarHBondContact O-CD 3.35Å; L102-P124 HydrophobicContact CD2-CG 4.08Å; P124-S126 PolarHBondContact O-N 3.33Å; P124-S126 VanDerWaalsContact O-N 3.07Å; P124-A148 HydrophobicContact CB-CB 4.47Å
125	L	98.3	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.			trans	-61.6	112.8	-179.5	-68.2	168.3	0	0	0	109.3	L101 L102 V104 L120 N123 L128 I144 T146 A148 L149	L101-L125 HydrophobicContact CB-CD2 3.89Å; L101-L125 PolarHBondContact O-N 2.89Å; L102-L125 CarbonylContact O-C 3.52Å; L102-L125 WeakPolarHBondContact O-CA 3.18Å; V104-L125 HydrophobicContact CG2-CD2 4.03Å; L120-L125 HydrophobicContact CB-CD1 4.28Å; L120-L125 HydrophobicContact CD1-CD1 4.23Å; N123-L125 HydrophobicContact CB-CD1 4.43Å; N123-L125 HydrophobicContact CB-CG 3.97Å; N123-L125 PolarHBondContact O-N 3.38Å; L125-L128 HydrophobicContact CD1-CD2 4.32Å; L125-I144 HydrophobicContact CD1-CG2 4.19Å; L125-T146 HydrophobicContact CB-CG2 4.45Å; L125-T146 PolarHBondContact N-OG1 3.08Å; L125-T146 PolarHBondContact O-OG1 3.49Å; L125-A148 CarbonylContact O-C 3.48Å; L125-L149 WeakPolarHBondContact O-CA 3.37Å; L125-L149 VanDerWaalsContact O-CB 3.26Å; L125-L149 WeakPolarHBondContact O-CB 3.36Å; L125-L149 PolarHBondContact O-N 2.92Å
126	S	97.6	Very high	97.9	Very high	72 Å²	72	31.5 Å²	31.5	50%	0.503	18%	0.175	S	C	.	.			trans	-88	-21.6	172.7	59.4	0	0	0	0	112.5	L102 P124	L102-S126 PolarHBondContact O-N 3.34Å; L102-S126 PolarHBondContact O-OG 3.09Å; L102-S126 VanDerWaalsContact O-OG 3.12Å; P124-S126 PolarHBondContact O-N 3.33Å; P124-S126 VanDerWaalsContact O-N 3.07Å
127	E	97.7	Very high	97.7	Very high	96 Å²	96	36.5 Å²	36.5	45%	0.449	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.4	-176.4	-170	177.1	158.4	0	0	112.8	R103 V104 S129	R103-E127 VanDerWaalsContact CA-O 3.29Å; R103-E127 WeakPolarHBondContact CA-O 3.33Å; R103-E127 HydrophobicContact CB-CB 4.19Å; V104-E127 PolarHBondContact N-O 3.23Å; V104-E127 VanDerWaalsContact N-O 3.12Å; E127-S129 PolarHBondContact OE1-OG 2.61Å; E127-S129 VanDerWaalsContact OE1-OG 3.05Å
128	L	98.3	Very high	97.7	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.5	157.4	-59.3	175.2	0	0	0	105.8	V104 L125 F133 I144 L149 I152 T156	V104-L128 HydrophobicContact CB-CD2 3.77Å; V104-L128 HydrophobicContact CG2-CD2 3.71Å; L125-L128 HydrophobicContact CD1-CD2 4.32Å; L128-F133 HydrophobicContact CD1-CE2 4.23Å; L128-F133 HydrophobicContact CD2-CE2 4.22Å; L128-F133 HydrophobicContact CD2-CZ 4.37Å; L128-I144 HydrophobicContact CD1-CD1 3.64Å; L128-L149 HydrophobicContact CD1-CD2 3.52Å; L128-L149 HydrophobicContact CG-CD1 4.16Å; L128-L149 HydrophobicContact CG-CD2 3.79Å; L128-I152 HydrophobicContact CD1-CD1 4.16Å; L128-T156 HydrophobicContact CB-CG2 4Å; L128-T156 HydrophobicContact CD1-CG2 4.33Å
129	S	97.9	Very high	97.7	Very high	19 Å²	19	39.3 Å²	39.3	13%	0.133	21%	0.209	C	C	.	.			trans	-67	158.9	179.4	-54.9	0	0	0	0	110.8	V104 E127 Y131 S132	V104-S129 PolarHBondContact O-N 3.1Å; V104-S129 PolarHBondContact O-OG 2.95Å; E127-S129 PolarHBondContact OE1-OG 2.61Å; E127-S129 VanDerWaalsContact OE1-OG 3.05Å; S129-Y131 PolarHBondContact O-N 3.36Å; S129-S132 PolarHBondContact N-OG 3.13Å; S129-S132 WeakPolarHBondContact O-CB 3.24Å; S129-S132 PolarHBondContact O-N 3.09Å; S129-S132 VanDerWaalsContact O-N 3.1Å; S129-S132 PolarHBondContact O-OG 2.65Å
130	S	98.3	Very high	97.7	Very high	39 Å²	39	42.5 Å²	42.5	27%	0.273	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	141.2	166.2	-62.9	0	0	0	0	109.4	E106 S132 A154	E106-S130 WeakPolarHBondContact CB-O 3.48Å; S130-S132 PolarHBondContact O-N 2.96Å; S130-A154 WeakPolarHBondContact CB-O 3.45Å; S130-A154 PolarHBondContact OG-O 2.98Å
131	Y	98.3	Very high	97.7	Very high	69 Å²	69	45.4 Å²	45.4	27%	0.271	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	14.8	-178	-42.6	-72.6	0	0	0	115.9	Y107 S129 F133 S134 F155 F158	Y107-Y131 PolarHBondContact N-O 2.9Å; S129-Y131 PolarHBondContact O-N 3.36Å; Y131-F133 PolarHBondContact O-N 3.13Å; Y131-F133 VanDerWaalsContact O-N 3.14Å; Y131-S134 VanDerWaalsContact O-CB 3.27Å; Y131-S134 WeakPolarHBondContact O-CB 3.43Å; Y131-S134 PolarHBondContact O-N 2.93Å; Y131-F155 HydrophobicContact CD1-CB 4.31Å; Y131-F155 HydrophobicContact CE1-CB 3.74Å; Y131-F155 HydrophobicContact CE1-CG 4.37Å; Y131-F155 PolarHBondContact N-O 3.04Å; Y131-F158 HydrophobicContact CD1-CB 3.83Å; Y131-F158 AromaticContact CD1-CD1 3.97Å; Y131-F158 HydrophobicContact CD1-CD1 3.97Å; Y131-F158 HydrophobicContact CD1-CG 4.26Å; Y131-F158 HydrophobicContact CE1-CB 3.81Å; Y131-F158 AromaticContact CE1-CD1 3.68Å; Y131-F158 HydrophobicContact CE1-CD1 3.68Å; Y131-F158 AromaticContact CE1-CG 3.9Å; Y131-F158 HydrophobicContact CE1-CG 3.9Å
132	S	98.3	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-42.1	175.3	-74.1	0	0	0	0	113.4	V104 E105 S129 S130 T156	V104-S132 PolarHBondContact O-OG 3.01Å; E105-S132 WeakPolarHBondContact O-CA 3.32Å; S129-S132 PolarHBondContact N-OG 3.13Å; S129-S132 WeakPolarHBondContact O-CB 3.24Å; S129-S132 PolarHBondContact O-N 3.09Å; S129-S132 VanDerWaalsContact O-N 3.1Å; S129-S132 PolarHBondContact O-OG 2.65Å; S130-S132 PolarHBondContact O-N 2.96Å; S132-T156 PolarHBondContact N-O 2.96Å
133	F	98.1	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	26.1	-177.8	-60.2	-83.7	0	0	0	112	F109 I118 L120 L128 Y131 L136 L142 I144 T156 F157 S160	F109-F133 AromaticContact CD2-CD1 3.84Å; F109-F133 HydrophobicContact CD2-CD1 3.84Å; F109-F133 HydrophobicContact CD2-CE1 4.07Å; F109-F133 AromaticContact CE2-CD1 3.83Å; F109-F133 HydrophobicContact CE2-CD1 3.83Å; F109-F133 AromaticContact CE2-CE1 3.56Å; F109-F133 HydrophobicContact CE2-CE1 3.56Å; F109-F133 HydrophobicContact CE2-CZ 4.38Å; I118-F133 HydrophobicContact CD1-CD1 4.02Å; I118-F133 HydrophobicContact CD1-CE1 4.24Å; I118-F133 HydrophobicContact CG2-CE1 4.48Å; L120-F133 HydrophobicContact CD1-CE1 4.29Å; L120-F133 HydrophobicContact CD1-CZ 4.06Å; L128-F133 HydrophobicContact CD1-CE2 4.23Å; L128-F133 HydrophobicContact CD2-CE2 4.22Å; L128-F133 HydrophobicContact CD2-CZ 4.37Å; Y131-F133 PolarHBondContact O-N 3.13Å; Y131-F133 VanDerWaalsContact O-N 3.14Å; F133-L136 HydrophobicContact CB-CD1 4.3Å; F133-L136 HydrophobicContact CD1-CD1 4.47Å; F133-L142 HydrophobicContact CD1-CD1 4.04Å; F133-L142 HydrophobicContact CD1-CD2 3.74Å; F133-L142 HydrophobicContact CD2-CD2 3.95Å; F133-L142 HydrophobicContact CE1-CD1 3.52Å; F133-L142 HydrophobicContact CE1-CD2 3.82Å; F133-L142 HydrophobicContact CE1-CG 4.35Å; F133-L142 HydrophobicContact CE2-CD2 4.04Å; F133-L142 HydrophobicContact CG-CD2 3.81Å; F133-L142 HydrophobicContact CZ-CD1 3.97Å; F133-L142 HydrophobicContact CZ-CD2 3.98Å; F133-I144 HydrophobicContact CE2-CD1 3.79Å; F133-I144 HydrophobicContact CZ-CD1 3.59Å; F133-I144 HydrophobicContact CZ-CG1 4.47Å; F133-T156 HydrophobicContact CD2-CG2 4.16Å; F133-T156 HydrophobicContact CE2-CG2 4.33Å; F133-T156 PolarHBondContact N-O 3Å; F133-F157 HydrophobicContact CB-CD1 4.47Å; F133-F157 AromaticContact CD2-CD1 3.8Å; F133-F157 HydrophobicContact CD2-CD1 3.8Å; F133-F157 AromaticContact CD2-CE1 3.92Å; F133-F157 HydrophobicContact CD2-CE1 3.92Å; F133-F157 HydrophobicContact CE2-CD1 4.48Å; F133-F157 HydrophobicContact CE2-CE1 4.14Å; F133-F157 HydrophobicContact CG-CD1 4.36Å; F133-S160 WeakPolarHBondContact O-CB 3.27Å; F133-S160 PolarHBondContact O-OG 3.36Å
134	S	97	Very high	97.8	Very high	13 Å²	13	39.4 Å²	39.4	9%	0.091	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	150.4	-176.4	-159.8	0	0	0	0	113.1	Y131 F158	Y131-S134 VanDerWaalsContact O-CB 3.27Å; Y131-S134 WeakPolarHBondContact O-CB 3.43Å; Y131-S134 PolarHBondContact O-N 2.93Å; S134-F158 WeakPolarHBondContact CA-O 3.38Å; S134-F158 WeakPolarHBondContact CB-O 3.37Å; S134-F158 PolarHBondContact OG-O 2.79Å
135	G	93	Very high	97.8	Very high	27 Å²	27	39.1 Å²	39.1	28%	0.278	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-0.4	174.3	0	0	0	0	0	115.8	K137	G135-K137 PolarHBondContact O-N 3.13Å
136	L	96.7	Very high	97.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.198	C	C	.	.			trans	-82.2	87.5	-177.6	-59.2	168.2	0	0	0	111.4	F109 L112 L115 I118 F133 H138 L139 S160 T162	F109-L136 HydrophobicContact CB-CD1 4.01Å; F109-L136 HydrophobicContact CB-CD2 3.79Å; F109-L136 HydrophobicContact CB-CG 4.23Å; F109-L136 VanDerWaalsContact O-CD2 3.24Å; F109-L136 WeakPolarHBondContact O-CD2 3.27Å; L112-L136 HydrophobicContact CB-CD2 4.11Å; L112-L136 WeakPolarHBondContact O-CD2 3.18Å; L115-L136 HydrophobicContact CB-CD2 4.17Å; L115-L136 HydrophobicContact CD2-CD2 3.98Å; I118-L136 HydrophobicContact CD1-CD1 3.66Å; F133-L136 HydrophobicContact CB-CD1 4.3Å; F133-L136 HydrophobicContact CD1-CD1 4.47Å; L136-H138 PolarHBondContact O-N 3.1Å; L136-H138 VanDerWaalsContact O-N 3.16Å; L136-L139 HydrophobicContact CB-CB 3.71Å; L136-L139 HydrophobicContact CB-CD2 4.39Å; L136-L139 HydrophobicContact CD1-CB 4.35Å; L136-L139 HydrophobicContact CD1-CD2 3.67Å; L136-L139 HydrophobicContact CD1-CG 4.43Å; L136-S160 WeakPolarHBondContact CB-OG 3.4Å; L136-S160 PolarHBondContact N-OG 3.12Å; L136-T162 PolarHBondContact O-OG1 2.69Å
137	K	95.5	Very high	97.7	Very high	150 Å²	150	42.1 Å²	42.1	65%	0.652	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.1	-173.6	-64.3	-179.3	-176.7	176.3	0	114.6	G135 T162	G135-K137 PolarHBondContact O-N 3.13Å; K137-T162 WeakPolarHBondContact O-CG2 3.33Å; K137-T162 PolarHBondContact O-OG1 3.42Å
138	H	98	Very high	97.7	Very high	96 Å²	96	39.7 Å²	39.7	44%	0.444	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	8.3	-175.9	-62.5	98.6	0	0	0	114	S113 L115 Q116 L136 K140	S113-H138 PolarHBondContact O-ND1 3.35Å; L115-H138 CarbonylContact O-C 2.98Å; Q116-H138 WeakPolarHBondContact CA-O 3.19Å; Q116-H138 HydrophobicContact CG-CB 4.45Å; L136-H138 PolarHBondContact O-N 3.1Å; L136-H138 VanDerWaalsContact O-N 3.16Å; H138-K140 PolarHBondContact O-N 2.5Å
139	L	98.5	Very high	97.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.			trans	-66.7	118.6	-177.1	-176.9	71.3	0	0	0	109.8	L115 I118 L136 L142 T162 I163	L115-L139 VanDerWaalsContact O-CA 3.25Å; L115-L139 WeakPolarHBondContact O-CA 3.43Å; L115-L139 PolarHBondContact O-N 3.43Å; I118-L139 HydrophobicContact CB-CD1 4.28Å; I118-L139 HydrophobicContact CD1-CD1 3.89Å; I118-L139 HydrophobicContact CD1-CD2 4.23Å; I118-L139 HydrophobicContact CG1-CD1 3.79Å; L136-L139 HydrophobicContact CB-CB 3.71Å; L136-L139 HydrophobicContact CB-CD2 4.39Å; L136-L139 HydrophobicContact CD1-CB 4.35Å; L136-L139 HydrophobicContact CD1-CD2 3.67Å; L136-L139 HydrophobicContact CD1-CG 4.43Å; L139-L142 HydrophobicContact CD2-CB 4.25Å; L139-T162 PolarHBondContact N-OG1 2.99Å; L139-T162 CarbonylContact O-C 3.49Å; L139-T162 PolarHBondContact O-OG1 3.14Å; L139-I163 HydrophobicContact CB-CG1 4.34Å; L139-I163 HydrophobicContact CD2-CD1 3.74Å; L139-I163 HydrophobicContact CD2-CG1 3.69Å; L139-I163 HydrophobicContact CG-CG1 4.01Å; L139-I163 VanDerWaalsContact O-CA 3.22Å; L139-I163 WeakPolarHBondContact O-CA 3.41Å; L139-I163 PolarHBondContact O-N 3.34Å
140	K	98.7	Very high	97.7	Very high	95 Å²	95	44.2 Å²	44.2	41%	0.413	22%	0.224	S	C	.	.			trans	-98.7	-37.8	179.5	-66	172.4	-175.7	164.9	0	111.5	Q116 H138 R164 V165	Q116-K140 HydrophobicContact CB-CD 4.45Å; Q116-K140 PolarHBondContact O-N 2.81Å; H138-K140 PolarHBondContact O-N 2.5Å; K140-R164 WeakPolarHBondContact O-CA 3.18Å; K140-R164 PolarHBondContact O-N 3.02Å; K140-V165 PolarHBondContact O-N 2.75Å
141	E	98.9	Very high	97.7	Very high	61 Å²	61	48.6 Å²	48.6	29%	0.285	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.4	-171.5	179.1	171.3	170.9	0	0	111.3	Q116 F117 I118 I143 V165	Q116-E141 PolarHBondContact O-N 3.09Å; Q116-E141 VanDerWaalsContact O-N 3.09Å; F117-E141 WeakPolarHBondContact CA-O 3.26Å; F117-E141 HydrophobicContact CD1-CB 3.72Å; F117-E141 HydrophobicContact CD1-CG 4.38Å; F117-E141 HydrophobicContact CE1-CB 4.15Å; I118-E141 PolarHBondContact N-O 3.18Å; E141-I143 HydrophobicContact CG-CD1 4.43Å; E141-I143 HydrophobicContact CG-CG1 4.14Å; E141-I143 VanDerWaalsContact OE1-CD1 3.26Å; E141-I143 WeakPolarHBondContact OE1-CD1 3.29Å; E141-V165 WeakPolarHBondContact CA-O 3.36Å; E141-V165 HydrophobicContact CB-CB 4.12Å; E141-V165 HydrophobicContact CG-CB 3.91Å; E141-V165 HydrophobicContact CG-CG1 4.05Å
142	L	98.9	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.8	175.7	176.1	56.6	0	0	0	109.2	I118 F133 L139 I144 F157 I163 V165 L166 D167	I118-L142 HydrophobicContact CB-CD1 3.75Å; I118-L142 HydrophobicContact CG2-CD1 3.7Å; I118-L142 WeakPolarHBondContact O-CA 3.3Å; F133-L142 HydrophobicContact CD1-CD1 4.04Å; F133-L142 HydrophobicContact CD1-CD2 3.74Å; F133-L142 HydrophobicContact CD2-CD2 3.95Å; F133-L142 HydrophobicContact CE1-CD1 3.52Å; F133-L142 HydrophobicContact CE1-CD2 3.82Å; F133-L142 HydrophobicContact CE1-CG 4.35Å; F133-L142 HydrophobicContact CE2-CD2 4.04Å; F133-L142 HydrophobicContact CG-CD2 3.81Å; F133-L142 HydrophobicContact CZ-CD1 3.97Å; F133-L142 HydrophobicContact CZ-CD2 3.98Å; L139-L142 HydrophobicContact CD2-CB 4.25Å; L142-I144 HydrophobicContact CD1-CD1 4.19Å; L142-I144 HydrophobicContact CD1-CG1 3.9Å; L142-I144 HydrophobicContact CD2-CD1 4.22Å; L142-I144 HydrophobicContact CG-CD1 4.21Å; L142-I144 HydrophobicContact CG-CG1 4.09Å; L142-F157 HydrophobicContact CD2-CD1 3.81Å; L142-F157 HydrophobicContact CD2-CE1 3.66Å; L142-I163 HydrophobicContact CD2-CD1 4.36Å; L142-V165 PolarHBondContact N-O 3.26Å; L142-L166 HydrophobicContact CB-CD1 3.98Å; L142-L166 HydrophobicContact CD2-CD1 3.85Å; L142-L166 HydrophobicContact CG-CD1 3.94Å; L142-D167 PolarHBondContact O-N 3.2Å
143	I	98.9	Very high	97.7	Very high	31 Å²	31	45.9 Å²	45.9	16%	0.159	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.8	174.7	-55.4	179.5	0	0	0	108.8	I118 T119 L120 L121 E141 R145 D167	I118-I143 PolarHBondContact O-N 3.09Å; T119-I143 WeakPolarHBondContact CA-O 3.32Å; T119-I143 HydrophobicContact CG2-CB 4.11Å; T119-I143 HydrophobicContact CG2-CD1 4.25Å; T119-I143 HydrophobicContact CG2-CG1 4.4Å; L120-I143 PolarHBondContact N-O 2.75Å; L121-I143 HydrophobicContact CD2-CG2 3.82Å; E141-I143 HydrophobicContact CG-CD1 4.43Å; E141-I143 HydrophobicContact CG-CG1 4.14Å; E141-I143 VanDerWaalsContact OE1-CD1 3.26Å; E141-I143 WeakPolarHBondContact OE1-CD1 3.29Å; I143-R145 HydrophobicContact CG2-CG 4.28Å; I143-D167 HydrophobicContact CG1-CB 4.17Å; I143-D167 HydrophobicContact CG2-CB 4.38Å
144	I	98.6	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.2	174.6	-52.9	179	0	0	0	108.3	L125 L128 F133 L142 T146 D167 L168 S170	L125-I144 HydrophobicContact CD1-CG2 4.19Å; L128-I144 HydrophobicContact CD1-CD1 3.64Å; F133-I144 HydrophobicContact CE2-CD1 3.79Å; F133-I144 HydrophobicContact CZ-CD1 3.59Å; F133-I144 HydrophobicContact CZ-CG1 4.47Å; L142-I144 HydrophobicContact CD1-CD1 4.19Å; L142-I144 HydrophobicContact CD1-CG1 3.9Å; L142-I144 HydrophobicContact CD2-CD1 4.22Å; L142-I144 HydrophobicContact CG-CD1 4.21Å; L142-I144 HydrophobicContact CG-CG1 4.09Å; I144-T146 HydrophobicContact CG2-CG2 4.21Å; I144-D167 PolarHBondContact N-O 3.46Å; I144-L168 HydrophobicContact CB-CD2 4.14Å; I144-L168 HydrophobicContact CD1-CD2 3.97Å; I144-L168 HydrophobicContact CG1-CD2 4.25Å; I144-S170 PolarHBondContact O-OG 3.05Å
145	R	98.3	Very high	97.8	Very high	48 Å²	48	49.3 Å²	49.3	18%	0.181	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	111.1	172.4	-64	-63.6	-175.5	-86.3	-7.5	109	L120 L121 H122 I143 D167 R169	L120-R145 PolarHBondContact O-N 3.43Å; L121-R145 CarbonylContact C-O 3.59Å; L121-R145 HydrophobicContact CD2-CB 3.74Å; L121-R145 HydrophobicContact CD2-CG 3.55Å; H122-R145 PolarHBondContact N-O 2.93Å; I143-R145 HydrophobicContact CG2-CG 4.28Å; R145-D167 IonicContact CZ-OD1 3.09Å; R145-D167 IonicContact CZ-OD2 2.79Å; R145-D167 VanDerWaalsContact NH1-CG 3.3Å; R145-D167 PolarHBondContact NH1-O 2.77Å; R145-D167 IonicContact NH1-OD1 2.63Å; R145-D167 PolarHBondContact NH1-OD1 3.16Å; R145-D167 IonicContact NH1-OD2 3.08Å; R145-D167 IonicContact NH2-OD1 3.62Å; R145-D167 PolarHBondContact NH2-OD1 3.16Å; R145-D167 IonicContact NH2-OD2 2.77Å; R145-D167 PolarHBondContact NH2-OD2 3.43Å; R145-R169 WeakPolarHBondContact CD-O 3.36Å; R145-R169 PolarHBondContact NE-O 2.78Å; R145-R169 VanDerWaalsContact NE-O 3.11Å
146	T	97.5	Very high	98.1	Very high	1 Å²	1	48 Å²	48	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159.1	-177.3	171.7	0	0	0	0	109.5	N123 L125 I144 A148 L149 S170 S172	N123-T146 VanDerWaalsContact O-CB 3.31Å; N123-T146 WeakPolarHBondContact O-CB 3.41Å; N123-T146 PolarHBondContact O-OG1 3.16Å; L125-T146 HydrophobicContact CB-CG2 4.45Å; L125-T146 PolarHBondContact N-OG1 3.08Å; L125-T146 PolarHBondContact O-OG1 3.49Å; I144-T146 HydrophobicContact CG2-CG2 4.21Å; T146-A148 PolarHBondContact OG1-N 2.9Å; T146-L149 HydrophobicContact CG2-CB 3.36Å; T146-L149 HydrophobicContact CG2-CD2 4.12Å; T146-L149 HydrophobicContact CG2-CG 4.4Å; T146-S170 PolarHBondContact N-OG 2.88Å; T146-S170 VanDerWaalsContact N-OG 3.16Å; T146-S170 VanDerWaalsContact O-CB 3.29Å; T146-S170 WeakPolarHBondContact O-CB 3.45Å; T146-S170 PolarHBondContact O-OG 2.95Å; T146-S172 PolarHBondContact O-OG 2.75Å
147	N	95.8	Very high	98.2	Very high	134 Å²	134	48 Å²	48	72%	0.717	23%	0.231	S	C	*	.	S	Bend	trans	-112.9	0.5	176.8	-66.1	-22.3	0	0	0	112.8	S172	N147-S172 WeakPolarHBondContact O-CB 3.34Å
148	A	97.7	Very high	98.3	Very high	46 Å²	46	44.6 Å²	44.6	38%	0.38	22%	0.217	S	C	.	.	S	Bend	trans	-121.6	-8.7	-174.7	0	0	0	0	0	114.2	P124 L125 T146 H150	P124-A148 HydrophobicContact CB-CB 4.47Å; L125-A148 CarbonylContact O-C 3.48Å; T146-A148 PolarHBondContact OG1-N 2.9Å; A148-H150 PolarHBondContact O-N 2.79Å
149	L	98.4	Very high	98.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.213	C	C	.	.			trans	-81.8	118.8	-174.3	-177	64.3	0	0	0	109.1	L125 L128 T146 R151 I152 S172 I173	L125-L149 WeakPolarHBondContact O-CA 3.37Å; L125-L149 VanDerWaalsContact O-CB 3.26Å; L125-L149 WeakPolarHBondContact O-CB 3.36Å; L125-L149 PolarHBondContact O-N 2.92Å; L128-L149 HydrophobicContact CD1-CD2 3.52Å; L128-L149 HydrophobicContact CG-CD1 4.16Å; L128-L149 HydrophobicContact CG-CD2 3.79Å; T146-L149 HydrophobicContact CG2-CB 3.36Å; T146-L149 HydrophobicContact CG2-CD2 4.12Å; T146-L149 HydrophobicContact CG2-CG 4.4Å; L149-R151 WeakPolarHBondContact CD1-O 3.44Å; L149-I152 HydrophobicContact CD2-CD1 3.84Å; L149-S172 PolarHBondContact N-OG 2.92Å; L149-S172 VanDerWaalsContact N-OG 3.16Å; L149-S172 CarbonylContact O-C 3.54Å; L149-S172 WeakPolarHBondContact O-CB 3.48Å; L149-S172 PolarHBondContact O-OG 2.74Å; L149-I173 HydrophobicContact CB-CG1 4.03Å; L149-I173 HydrophobicContact CD2-CD1 3.95Å; L149-I173 HydrophobicContact CD2-CG1 4.01Å; L149-I173 HydrophobicContact CG-CG1 4.02Å; L149-I173 WeakPolarHBondContact O-CA 3.46Å; L149-I173 VanDerWaalsContact O-CG1 3.26Å; L149-I173 WeakPolarHBondContact O-CG1 3.45Å; L149-I173 PolarHBondContact O-N 3.26Å; L149-I173 VanDerWaalsContact O-N 3.08Å
150	H	98.3	Very high	98	Very high	115 Å²	115	41.7 Å²	41.7	53%	0.532	21%	0.213	S	C	.	.			trans	-86.1	-32.8	-175.5	-175.6	60.8	0	0	0	113.7	A148 I173 K174 R175	A148-H150 PolarHBondContact O-N 2.79Å; H150-I173 CarbonylContact O-C 3.35Å; H150-I173 WeakPolarHBondContact O-CA 3.22Å; H150-K174 PolarHBondContact O-N 3.34Å; H150-R175 PolarHBondContact O-N 3.3Å
151	R	98.4	Very high	97.9	Very high	131 Å²	131	39 Å²	39	49%	0.494	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.4	-175.7	66.5	173.8	177.7	169.5	-5.8	113.4	L149 R175 D177	L149-R151 WeakPolarHBondContact CD1-O 3.44Å; R151-R175 CarbonylContact C-O 3.53Å; R151-R175 WeakPolarHBondContact CA-O 3.46Å; R151-R175 HydrophobicContact CB-CB 3.98Å; R151-D177 IonicContact CZ-OD2 3.33Å; R151-D177 IonicContact NE-OD2 2.81Å; R151-D177 IonicContact NH1-OD2 3.95Å; R151-D177 PolarHBondContact NH1-OD2 2.92Å
152	I	98.7	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.7	161.6	-53.5	-58.4	0	0	0	108	L128 L149 T156 F157 L168 I173 R175 I176 D177 A180	L128-I152 HydrophobicContact CD1-CD1 4.16Å; L149-I152 HydrophobicContact CD2-CD1 3.84Å; I152-T156 HydrophobicContact CG2-CG2 4.37Å; I152-F157 HydrophobicContact CG2-CE2 3.81Å; I152-F157 HydrophobicContact CG2-CZ 4.17Å; I152-L168 HydrophobicContact CD1-CD1 4.36Å; I152-L168 HydrophobicContact CG1-CD1 4.22Å; I152-I173 HydrophobicContact CD1-CD1 4.08Å; I152-I173 HydrophobicContact CD1-CG2 4.37Å; I152-I173 HydrophobicContact CG1-CG2 4.01Å; I152-R175 PolarHBondContact N-O 2.78Å; I152-I176 HydrophobicContact CB-CG1 4.49Å; I152-I176 HydrophobicContact CG1-CG1 4.45Å; I152-D177 PolarHBondContact O-N 2.93Å; I152-A180 HydrophobicContact CB-CB 4.47Å; I152-A180 HydrophobicContact CG2-CB 3.9Å
153	A	98.5	Very high	97.9	Very high	13 Å²	13	38.5 Å²	38.5	11%	0.107	21%	0.21	C	C	.	.			trans	-76.1	160.6	-178.8	0	0	0	0	0	112.2	F155 T156 A180	A153-F155 PolarHBondContact O-N 3Å; A153-T156 PolarHBondContact N-OG1 2.97Å; A153-T156 PolarHBondContact O-N 2.64Å; A153-T156 PolarHBondContact O-OG1 3.02Å; A153-A180 WeakPolarHBondContact O-CA 3.39Å
154	A	98.7	Very high	97.9	Very high	27 Å²	27	41 Å²	41	22%	0.223	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	139.2	171.3	0	0	0	0	0	111.4	S130 T156 G178 D179	S130-A154 WeakPolarHBondContact CB-O 3.45Å; S130-A154 PolarHBondContact OG-O 2.98Å; A154-T156 PolarHBondContact O-N 2.98Å; A154-T156 VanDerWaalsContact O-N 3.13Å; A154-G178 WeakPolarHBondContact CA-O 3.26Å; A154-G178 WeakPolarHBondContact CB-O 3.48Å; A154-D179 HydrophobicContact CB-CB 4.46Å
155	F	98.5	Very high	97.9	Very high	58 Å²	58	42.4 Å²	42.4	25%	0.254	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	17.9	175.9	-47.2	-71.4	0	0	0	116.1	Y131 A153 F157 F158 D179 N182	Y131-F155 HydrophobicContact CD1-CB 4.31Å; Y131-F155 HydrophobicContact CE1-CB 3.74Å; Y131-F155 HydrophobicContact CE1-CG 4.37Å; Y131-F155 PolarHBondContact N-O 3.04Å; A153-F155 PolarHBondContact O-N 3Å; F155-F157 PolarHBondContact O-N 2.8Å; F155-F157 VanDerWaalsContact O-N 3.13Å; F155-F158 HydrophobicContact CB-CB 3.9Å; F155-F158 HydrophobicContact CD1-CB 4.41Å; F155-F158 HydrophobicContact CD1-CD2 4.02Å; F155-F158 HydrophobicContact CD1-CG 4.44Å; F155-F158 WeakPolarHBondContact O-CB 3.47Å; F155-F158 PolarHBondContact O-N 3.37Å; F155-F158 VanDerWaalsContact O-N 3.12Å; F155-D179 HydrophobicContact CD1-CB 4.49Å; F155-D179 HydrophobicContact CE1-CB 3.93Å; F155-D179 HydrophobicContact CE2-CB 4.4Å; F155-D179 HydrophobicContact CZ-CB 3.87Å; F155-D179 PolarHBondContact N-O 2.94Å; F155-N182 HydrophobicContact CD1-CB 3.95Å; F155-N182 HydrophobicContact CE1-CB 3.94Å
156	T	98.7	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.8	179.2	-64.4	0	0	0	0	112.5	L128 S132 F133 I152 A153 A154	L128-T156 HydrophobicContact CB-CG2 4Å; L128-T156 HydrophobicContact CD1-CG2 4.33Å; S132-T156 PolarHBondContact N-O 2.96Å; F133-T156 HydrophobicContact CD2-CG2 4.16Å; F133-T156 HydrophobicContact CE2-CG2 4.33Å; F133-T156 PolarHBondContact N-O 3Å; I152-T156 HydrophobicContact CG2-CG2 4.37Å; A153-T156 PolarHBondContact N-OG1 2.97Å; A153-T156 PolarHBondContact O-N 2.64Å; A153-T156 PolarHBondContact O-OG1 3.02Å; A154-T156 PolarHBondContact O-N 2.98Å; A154-T156 VanDerWaalsContact O-N 3.13Å
157	F	98.3	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9.7	-176.8	-45.4	-72.1	0	0	0	114.1	F133 L142 I152 F155 G159 S160 L166 L168 A180 F181 L184	F133-F157 HydrophobicContact CB-CD1 4.47Å; F133-F157 AromaticContact CD2-CD1 3.8Å; F133-F157 HydrophobicContact CD2-CD1 3.8Å; F133-F157 AromaticContact CD2-CE1 3.92Å; F133-F157 HydrophobicContact CD2-CE1 3.92Å; F133-F157 HydrophobicContact CE2-CD1 4.48Å; F133-F157 HydrophobicContact CE2-CE1 4.14Å; F133-F157 HydrophobicContact CG-CD1 4.36Å; L142-F157 HydrophobicContact CD2-CD1 3.81Å; L142-F157 HydrophobicContact CD2-CE1 3.66Å; I152-F157 HydrophobicContact CG2-CE2 3.81Å; I152-F157 HydrophobicContact CG2-CZ 4.17Å; F155-F157 PolarHBondContact O-N 2.8Å; F155-F157 VanDerWaalsContact O-N 3.13Å; F157-G159 PolarHBondContact O-N 3.3Å; F157-S160 PolarHBondContact O-N 3.45Å; F157-L166 HydrophobicContact CD1-CD1 4.47Å; F157-L166 HydrophobicContact CD2-CD2 4.05Å; F157-L166 HydrophobicContact CE1-CD1 3.93Å; F157-L166 HydrophobicContact CE1-CD2 4.31Å; F157-L166 HydrophobicContact CE2-CD2 3.81Å; F157-L166 HydrophobicContact CG-CD2 4.4Å; F157-L166 HydrophobicContact CZ-CD1 4.1Å; F157-L166 HydrophobicContact CZ-CD2 3.96Å; F157-L168 HydrophobicContact CE2-CD1 4.27Å; F157-L168 HydrophobicContact CZ-CD1 3.98Å; F157-L168 HydrophobicContact CZ-CD2 4.04Å; F157-A180 WeakPolarHBondContact CD2-O 3.49Å; F157-F181 AromaticContact CD2-CD1 3.97Å; F157-F181 HydrophobicContact CD2-CD1 3.97Å; F157-F181 HydrophobicContact CD2-CE1 4.42Å; F157-F181 AromaticContact CE2-CD1 3.88Å; F157-F181 HydrophobicContact CE2-CD1 3.88Å; F157-F181 AromaticContact CE2-CE1 3.87Å; F157-F181 HydrophobicContact CE2-CE1 3.87Å; F157-L184 HydrophobicContact CB-CD1 3.93Å; F157-L184 HydrophobicContact CB-CD2 3.82Å; F157-L184 HydrophobicContact CB-CG 3.96Å; F157-L184 HydrophobicContact CD2-CD1 4.1Å; F157-L184 HydrophobicContact CG-CD1 4.17Å
158	F	97.8	Very high	98.1	Very high	78 Å²	78	34.1 Å²	34.1	34%	0.342	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	132	-173.8	-175.2	-85.8	0	0	0	111.5	Y131 S134 F155 N182	Y131-F158 HydrophobicContact CD1-CB 3.83Å; Y131-F158 AromaticContact CD1-CD1 3.97Å; Y131-F158 HydrophobicContact CD1-CD1 3.97Å; Y131-F158 HydrophobicContact CD1-CG 4.26Å; Y131-F158 HydrophobicContact CE1-CB 3.81Å; Y131-F158 AromaticContact CE1-CD1 3.68Å; Y131-F158 HydrophobicContact CE1-CD1 3.68Å; Y131-F158 AromaticContact CE1-CG 3.9Å; Y131-F158 HydrophobicContact CE1-CG 3.9Å; S134-F158 WeakPolarHBondContact CA-O 3.38Å; S134-F158 WeakPolarHBondContact CB-O 3.37Å; S134-F158 PolarHBondContact OG-O 2.79Å; F155-F158 HydrophobicContact CB-CB 3.9Å; F155-F158 HydrophobicContact CD1-CB 4.41Å; F155-F158 HydrophobicContact CD1-CD2 4.02Å; F155-F158 HydrophobicContact CD1-CG 4.44Å; F155-F158 WeakPolarHBondContact O-CB 3.47Å; F155-F158 PolarHBondContact O-N 3.37Å; F155-F158 VanDerWaalsContact O-N 3.12Å; F158-N182 WeakPolarHBondContact CA-O 3.29Å
159	G	94.4	Very high	98.1	Very high	36 Å²	36	35.7 Å²	35.7	37%	0.371	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-2.9	-176.5	0	0	0	0	0	114.8	F157	F157-G159 PolarHBondContact O-N 3.3Å
160	S	96.5	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.			trans	-112.9	57.1	176.3	-72	0	0	0	0	112.3	F133 L136 F157 T162 I163 L184	F133-S160 WeakPolarHBondContact O-CB 3.27Å; F133-S160 PolarHBondContact O-OG 3.36Å; L136-S160 WeakPolarHBondContact CB-OG 3.4Å; L136-S160 PolarHBondContact N-OG 3.12Å; F157-S160 PolarHBondContact O-N 3.45Å; S160-T162 PolarHBondContact O-N 2.62Å; S160-I163 WeakPolarHBondContact O-CG1 3.35Å; S160-I163 PolarHBondContact O-N 3.45Å; S160-L184 WeakPolarHBondContact O-CD2 3.3Å
161	A	96.8	Very high	98	Very high	39 Å²	39	34.1 Å²	34.1	32%	0.322	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.6	-176.6	0	0	0	0	0	114.9	R164 G183 Y185	A161-R164 PolarHBondContact O-NH1 2.77Å; A161-G183 WeakPolarHBondContact CA-O 3.36Å; A161-G183 WeakPolarHBondContact CB-O 3.4Å; A161-Y185 HydrophobicContact CB-CD2 3.8Å; A161-Y185 HydrophobicContact CB-CE2 4.11Å
162	T	97.9	Very high	98	Very high	48 Å²	48	28.9 Å²	28.9	29%	0.294	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.1	-178.4	46.5	0	0	0	0	114.2	L136 K137 L139 S160 R164	L136-T162 PolarHBondContact O-OG1 2.69Å; K137-T162 WeakPolarHBondContact O-CG2 3.33Å; K137-T162 PolarHBondContact O-OG1 3.42Å; L139-T162 PolarHBondContact N-OG1 2.99Å; L139-T162 CarbonylContact O-C 3.49Å; L139-T162 PolarHBondContact O-OG1 3.14Å; S160-T162 PolarHBondContact O-N 2.62Å; T162-R164 PolarHBondContact O-N 3Å; T162-R164 PolarHBondContact O-NH1 2.82Å
163	I	98.5	Very high	98	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.16	C	C	.	.			trans	-58.1	125.6	177.6	-64.7	174.9	0	0	0	109.3	L139 L142 S160 V165 L166 L184 D186	L139-I163 HydrophobicContact CB-CG1 4.34Å; L139-I163 HydrophobicContact CD2-CD1 3.74Å; L139-I163 HydrophobicContact CD2-CG1 3.69Å; L139-I163 HydrophobicContact CG-CG1 4.01Å; L139-I163 VanDerWaalsContact O-CA 3.22Å; L139-I163 WeakPolarHBondContact O-CA 3.41Å; L139-I163 PolarHBondContact O-N 3.34Å; L142-I163 HydrophobicContact CD2-CD1 4.36Å; S160-I163 WeakPolarHBondContact O-CG1 3.35Å; S160-I163 PolarHBondContact O-N 3.45Å; I163-V165 WeakPolarHBondContact CG2-O 3.23Å; I163-L166 HydrophobicContact CG2-CB 3.99Å; I163-L184 HydrophobicContact CB-CD2 4.26Å; I163-L184 HydrophobicContact CD1-CD2 3.98Å; I163-L184 HydrophobicContact CG1-CD2 4.44Å; I163-D186 VanDerWaalsContact O-O 3.09Å
164	R	98.7	Very high	98	Very high	85 Å²	85	30.4 Å²	30.4	32%	0.321	17%	0.165	S	C	.	.			trans	-108.7	-32	174.8	-65.7	-61.9	-179.5	-98.3	9.1	112	K140 A161 T162 D186 Q188 F189	K140-R164 WeakPolarHBondContact O-CA 3.18Å; K140-R164 PolarHBondContact O-N 3.02Å; A161-R164 PolarHBondContact O-NH1 2.77Å; T162-R164 PolarHBondContact O-N 3Å; T162-R164 PolarHBondContact O-NH1 2.82Å; R164-D186 WeakPolarHBondContact CD-O 3.35Å; R164-D186 IonicContact CZ-OD2 3.44Å; R164-D186 IonicContact NE-OD2 2.7Å; R164-D186 PolarHBondContact NH1-O 3.13Å; R164-D186 IonicContact NH1-OD2 3.13Å; R164-D186 IonicContact NH2-OD2 2.75Å; R164-D186 PolarHBondContact NH2-OD2 2.95Å; R164-Q188 HydrophobicContact CB-CB 4.29Å; R164-Q188 CarbonylContact O-C 3.07Å; R164-Q188 WeakPolarHBondContact O-CA 3.25Å; R164-Q188 VanDerWaalsContact O-CB 3.32Å; R164-Q188 WeakPolarHBondContact O-CB 3.4Å; R164-Q188 PolarHBondContact O-N 3.12Å; R164-F189 PolarHBondContact O-N 2.89Å
165	V	98.9	Very high	98	Very high	29 Å²	29	32 Å²	32	18%	0.176	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.6	176.3	-177.9	0	0	0	0	108.5	K140 E141 L142 I163 F189	K140-V165 PolarHBondContact O-N 2.75Å; E141-V165 WeakPolarHBondContact CA-O 3.36Å; E141-V165 HydrophobicContact CB-CB 4.12Å; E141-V165 HydrophobicContact CG-CB 3.91Å; E141-V165 HydrophobicContact CG-CG1 4.05Å; L142-V165 PolarHBondContact N-O 3.26Å; I163-V165 WeakPolarHBondContact CG2-O 3.23Å; V165-F189 WeakPolarHBondContact CA-O 3.25Å; V165-F189 HydrophobicContact CG1-CB 4.45Å; V165-F189 HydrophobicContact CG2-CB 4.43Å; V165-F189 HydrophobicContact CG2-CD2 4.04Å
166	L	98.8	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.2	173	-178.9	55.8	0	0	0	108.8	L142 F157 I163 L168 F181 L184 F189 L190 H191	L142-L166 HydrophobicContact CB-CD1 3.98Å; L142-L166 HydrophobicContact CD2-CD1 3.85Å; L142-L166 HydrophobicContact CG-CD1 3.94Å; F157-L166 HydrophobicContact CD1-CD1 4.47Å; F157-L166 HydrophobicContact CD2-CD2 4.05Å; F157-L166 HydrophobicContact CE1-CD1 3.93Å; F157-L166 HydrophobicContact CE1-CD2 4.31Å; F157-L166 HydrophobicContact CE2-CD2 3.81Å; F157-L166 HydrophobicContact CG-CD2 4.4Å; F157-L166 HydrophobicContact CZ-CD1 4.1Å; F157-L166 HydrophobicContact CZ-CD2 3.96Å; I163-L166 HydrophobicContact CG2-CB 3.99Å; L166-L168 HydrophobicContact CD1-CD1 4.46Å; L166-L168 HydrophobicContact CD1-CD2 3.87Å; L166-L168 HydrophobicContact CD1-CG 4.05Å; L166-L168 HydrophobicContact CD2-CD1 4.19Å; L166-L168 HydrophobicContact CG-CD1 4.16Å; L166-L168 HydrophobicContact CG-CD2 4.38Å; L166-L168 HydrophobicContact CG-CG 4.01Å; L166-F181 HydrophobicContact CD2-CD1 3.85Å; L166-F181 HydrophobicContact CD2-CE1 3.7Å; L166-L184 HydrophobicContact CD2-CD1 3.81Å; L166-F189 PolarHBondContact N-O 3.5Å; L166-L190 HydrophobicContact CB-CD1 3.9Å; L166-L190 HydrophobicContact CD2-CD1 3.83Å; L166-L190 HydrophobicContact CG-CD1 3.93Å; L166-L190 WeakPolarHBondContact O-CA 3.19Å; L166-H191 PolarHBondContact O-N 3.38Å
167	D	98.8	Very high	98	Very high	8 Å²	8	30 Å²	30	4%	0.043	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	106	-176.3	-165.5	-21.5	0	0	0	111.5	L142 I143 I144 R145 R169 H191	L142-D167 PolarHBondContact O-N 3.2Å; I143-D167 HydrophobicContact CG1-CB 4.17Å; I143-D167 HydrophobicContact CG2-CB 4.38Å; I144-D167 PolarHBondContact N-O 3.46Å; R145-D167 IonicContact CZ-OD1 3.09Å; R145-D167 IonicContact CZ-OD2 2.79Å; R145-D167 VanDerWaalsContact NH1-CG 3.3Å; R145-D167 PolarHBondContact NH1-O 2.77Å; R145-D167 IonicContact NH1-OD1 2.63Å; R145-D167 PolarHBondContact NH1-OD1 3.16Å; R145-D167 IonicContact NH1-OD2 3.08Å; R145-D167 IonicContact NH2-OD1 3.62Å; R145-D167 PolarHBondContact NH2-OD1 3.16Å; R145-D167 IonicContact NH2-OD2 2.77Å; R145-D167 PolarHBondContact NH2-OD2 3.43Å; D167-R169 WeakPolarHBondContact OD1-CG 3.46Å; D167-R169 IonicContact OD1-CZ 3.93Å; D167-R169 PolarHBondContact OD1-N 3.28Å; D167-R169 IonicContact OD1-NE 3.3Å; D167-R169 PolarHBondContact OD1-NE 2.74Å; D167-R169 IonicContact OD1-NH2 3.61Å; D167-R169 IonicContact OD2-CZ 2.82Å; D167-R169 IonicContact OD2-NE 3.99Å; D167-R169 PolarHBondContact OD2-NE 3.07Å; D167-R169 IonicContact OD2-NH2 3.45Å; D167-R169 PolarHBondContact OD2-NH2 3.07Å; D167-H191 HydrophobicContact CB-CB 4.38Å; D167-H191 WeakPolarHBondContact OD1-CB 3.44Å; D167-H191 IonicContact OD2-CD2 3.47Å
168	L	98.7	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.			trans	-111.8	18.1	-174.6	-58.3	175.7	0	0	0	112.8	I144 I152 F157 L166 S170 F181 H191 P193	I144-L168 HydrophobicContact CB-CD2 4.14Å; I144-L168 HydrophobicContact CD1-CD2 3.97Å; I144-L168 HydrophobicContact CG1-CD2 4.25Å; I152-L168 HydrophobicContact CD1-CD1 4.36Å; I152-L168 HydrophobicContact CG1-CD1 4.22Å; F157-L168 HydrophobicContact CE2-CD1 4.27Å; F157-L168 HydrophobicContact CZ-CD1 3.98Å; F157-L168 HydrophobicContact CZ-CD2 4.04Å; L166-L168 HydrophobicContact CD1-CD1 4.46Å; L166-L168 HydrophobicContact CD1-CD2 3.87Å; L166-L168 HydrophobicContact CD1-CG 4.05Å; L166-L168 HydrophobicContact CD2-CD1 4.19Å; L166-L168 HydrophobicContact CG-CD1 4.16Å; L166-L168 HydrophobicContact CG-CD2 4.38Å; L166-L168 HydrophobicContact CG-CG 4.01Å; L168-S170 VanDerWaalsContact C-N 3.33Å; L168-S170 PolarHBondContact O-N 3Å; L168-F181 HydrophobicContact CD1-CE1 3.83Å; L168-F181 HydrophobicContact CD1-CZ 4.13Å; L168-H191 PolarHBondContact N-O 2.79Å; L168-P193 HydrophobicContact CB-CG 4.26Å; L168-P193 WeakPolarHBondContact O-CA 3.49Å
169	R	98	Very high	98	Very high	79 Å²	79	28.9 Å²	28.9	30%	0.298	16%	0.157	S	C	.	.			trans	-62.6	87.8	-178.5	-68.7	177.3	-69.8	162.6	-7.7	112.1	R145 D167 H191 L192 L194	R145-R169 WeakPolarHBondContact CD-O 3.36Å; R145-R169 PolarHBondContact NE-O 2.78Å; R145-R169 VanDerWaalsContact NE-O 3.11Å; D167-R169 WeakPolarHBondContact OD1-CG 3.46Å; D167-R169 IonicContact OD1-CZ 3.93Å; D167-R169 PolarHBondContact OD1-N 3.28Å; D167-R169 IonicContact OD1-NE 3.3Å; D167-R169 PolarHBondContact OD1-NE 2.74Å; D167-R169 IonicContact OD1-NH2 3.61Å; D167-R169 IonicContact OD2-CZ 2.82Å; D167-R169 IonicContact OD2-NE 3.99Å; D167-R169 PolarHBondContact OD2-NE 3.07Å; D167-R169 IonicContact OD2-NH2 3.45Å; D167-R169 PolarHBondContact OD2-NH2 3.07Å; R169-H191 HydrophobicContact CG-CB 3.83Å; R169-L192 WeakPolarHBondContact CG-O 3.08Å; R169-L194 HydrophobicContact CB-CG 4.29Å
170	S	97.7	Very high	98.2	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.042	14%	0.14	C	C	.	.			trans	-133.9	139.3	174	-60.8	0	0	0	0	108.4	I144 T146 L168 S172 L194	I144-S170 PolarHBondContact O-OG 3.05Å; T146-S170 PolarHBondContact N-OG 2.88Å; T146-S170 VanDerWaalsContact N-OG 3.16Å; T146-S170 VanDerWaalsContact O-CB 3.29Å; T146-S170 WeakPolarHBondContact O-CB 3.45Å; T146-S170 PolarHBondContact O-OG 2.95Å; L168-S170 VanDerWaalsContact C-N 3.33Å; L168-S170 PolarHBondContact O-N 3Å; S170-S172 VanDerWaalsContact C-N 3.26Å; S170-S172 PolarHBondContact O-N 2.7Å; S170-L194 PolarHBondContact O-N 3Å
171	D	97.4	Very high	98.3	Very high	78 Å²	78	27.1 Å²	27.1	42%	0.417	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.7	-180	-74.6	-46.5	0	0	0	113.2	K174 L194 N195	D171-K174 VanDerWaalsContact O-CE 3.3Å; D171-K174 WeakPolarHBondContact O-CE 3.11Å; D171-K174 PolarHBondContact O-NZ 2.76Å; D171-L194 WeakPolarHBondContact OD1-CB 3.45Å; D171-N195 PolarHBondContact OD1-ND2 3.32Å
172	S	97.9	Very high	98.3	Very high	22 Å²	22	26 Å²	26	15%	0.154	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-25.1	-176.7	67.2	0	0	0	0	113.3	T146 N147 L149 S170 K174	T146-S172 PolarHBondContact O-OG 2.75Å; N147-S172 WeakPolarHBondContact O-CB 3.34Å; L149-S172 PolarHBondContact N-OG 2.92Å; L149-S172 VanDerWaalsContact N-OG 3.16Å; L149-S172 CarbonylContact O-C 3.54Å; L149-S172 WeakPolarHBondContact O-CB 3.48Å; L149-S172 PolarHBondContact O-OG 2.74Å; S170-S172 VanDerWaalsContact C-N 3.26Å; S170-S172 PolarHBondContact O-N 2.7Å; S172-K174 PolarHBondContact O-N 3.07Å
173	I	98.5	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.			trans	-83.1	105.8	-173.4	-53.1	163.8	0	0	0	108.4	L149 H150 I152 P193	L149-I173 HydrophobicContact CB-CG1 4.03Å; L149-I173 HydrophobicContact CD2-CD1 3.95Å; L149-I173 HydrophobicContact CD2-CG1 4.01Å; L149-I173 HydrophobicContact CG-CG1 4.02Å; L149-I173 WeakPolarHBondContact O-CA 3.46Å; L149-I173 VanDerWaalsContact O-CG1 3.26Å; L149-I173 WeakPolarHBondContact O-CG1 3.45Å; L149-I173 PolarHBondContact O-N 3.26Å; L149-I173 VanDerWaalsContact O-N 3.08Å; H150-I173 CarbonylContact O-C 3.35Å; H150-I173 WeakPolarHBondContact O-CA 3.22Å; I152-I173 HydrophobicContact CD1-CD1 4.08Å; I152-I173 HydrophobicContact CD1-CG2 4.37Å; I152-I173 HydrophobicContact CG1-CG2 4.01Å; I173-P193 HydrophobicContact CB-CB 3.76Å; I173-P193 HydrophobicContact CB-CG 3.74Å; I173-P193 HydrophobicContact CD1-CB 4.39Å; I173-P193 HydrophobicContact CD1-CG 3.94Å; I173-P193 HydrophobicContact CG1-CG 4.47Å; I173-P193 HydrophobicContact CG2-CB 4.11Å; I173-P193 HydrophobicContact CG2-CG 3.6Å
174	K	98.3	Very high	98.1	Very high	45 Å²	45	23.8 Å²	23.8	20%	0.196	12%	0.115	C	C	.	.			trans	-94.9	-21.9	-177.2	-57.6	-52.2	-178.8	-169.6	0	113.5	H150 D171 S172 N195 L196 E197 T198	H150-K174 PolarHBondContact O-N 3.34Å; D171-K174 VanDerWaalsContact O-CE 3.3Å; D171-K174 WeakPolarHBondContact O-CE 3.11Å; D171-K174 PolarHBondContact O-NZ 2.76Å; S172-K174 PolarHBondContact O-N 3.07Å; K174-N195 WeakPolarHBondContact CD-O 3.18Å; K174-N195 PolarHBondContact NZ-O 3.11Å; K174-N195 VanDerWaalsContact NZ-O 3.09Å; K174-L196 WeakPolarHBondContact O-CD1 3.35Å; K174-E197 HydrophobicContact CD-CG 4.36Å; K174-E197 PolarHBondContact O-N 3.3Å; K174-T198 PolarHBondContact O-N 3.27Å
175	R	98.6	Very high	98	Very high	59 Å²	59	25 Å²	25	22%	0.223	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.3	-174.9	-168.6	178.1	-167.5	85.6	-1.8	112.9	H150 R151 I152 D177 T198 E200 E224	H150-R175 PolarHBondContact O-N 3.3Å; R151-R175 CarbonylContact C-O 3.53Å; R151-R175 WeakPolarHBondContact CA-O 3.46Å; R151-R175 HydrophobicContact CB-CB 3.98Å; I152-R175 PolarHBondContact N-O 2.78Å; R175-D177 VanDerWaalsContact CD-OD1 3.23Å; R175-D177 WeakPolarHBondContact CD-OD1 3.47Å; R175-D177 WeakPolarHBondContact CG-OD1 3.38Å; R175-D177 IonicContact NE-OD1 3.76Å; R175-D177 PolarHBondContact NE-OD1 2.81Å; R175-T198 CarbonylContact C-O 3.18Å; R175-T198 WeakPolarHBondContact CA-O 2.9Å; R175-E200 IonicContact CZ-OE1 3.91Å; R175-E200 IonicContact NE-OE1 2.96Å; R175-E200 PolarHBondContact NE-OE1 2.96Å; R175-E200 VanDerWaalsContact NH2-CD 3.34Å; R175-E200 VanDerWaalsContact NH2-CG 3.31Å; R175-E200 IonicContact NH2-OE1 3.72Å; R175-E200 PolarHBondContact NH2-OE1 3.27Å; R175-E224 IonicContact CZ-OE1 3.65Å; R175-E224 VanDerWaalsContact CZ-OE1 3.26Å; R175-E224 IonicContact NH1-OE1 2.91Å; R175-E224 PolarHBondContact NH1-OE1 3.48Å; R175-E224 IonicContact NH1-OE2 3.71Å; R175-E224 PolarHBondContact NH1-OE2 3.46Å; R175-E224 IonicContact NH2-OE1 3.49Å; R175-E224 PolarHBondContact NH2-OE1 3.25Å
176	I	98.8	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.6	163.3	-60.9	175.3	0	0	0	107.1	I152 A180 F181 L192 P193 L196 T198 I199 E200 A203	I152-I176 HydrophobicContact CB-CG1 4.49Å; I152-I176 HydrophobicContact CG1-CG1 4.45Å; I176-A180 HydrophobicContact CG2-CB 3.49Å; I176-A180 VanDerWaalsContact CG2-CB 3.49Å; I176-F181 HydrophobicContact CD1-CE2 4.15Å; I176-F181 HydrophobicContact CD1-CZ 4.13Å; I176-F181 HydrophobicContact CG2-CD2 4.43Å; I176-F181 HydrophobicContact CG2-CE2 3.73Å; I176-F181 HydrophobicContact CG2-CZ 4.33Å; I176-L192 HydrophobicContact CD1-CD1 3.54Å; I176-P193 HydrophobicContact CD1-CG 4.43Å; I176-L196 HydrophobicContact CD1-CD1 4.27Å; I176-L196 HydrophobicContact CD1-CD2 3.85Å; I176-L196 HydrophobicContact CG1-CD1 3.98Å; I176-L196 HydrophobicContact CG1-CD2 4.35Å; I176-T198 PolarHBondContact N-O 2.72Å; I176-I199 HydrophobicContact CD1-CG1 4.49Å; I176-E200 PolarHBondContact O-N 2.92Å; I176-A203 HydrophobicContact CG2-CB 3.82Å
177	D	98.7	Very high	97.9	Very high	16 Å²	16	26.4 Å²	26.4	9%	0.086	13%	0.127	C	C	.	.			trans	-74.7	161	-178.5	-64.4	-0.3	0	0	0	110.6	R151 I152 R175 A180	R151-D177 IonicContact CZ-OD2 3.33Å; R151-D177 IonicContact NE-OD2 2.81Å; R151-D177 IonicContact NH1-OD2 3.95Å; R151-D177 PolarHBondContact NH1-OD2 2.92Å; I152-D177 PolarHBondContact O-N 2.93Å; R175-D177 VanDerWaalsContact CD-OD1 3.23Å; R175-D177 WeakPolarHBondContact CD-OD1 3.47Å; R175-D177 WeakPolarHBondContact CG-OD1 3.38Å; R175-D177 IonicContact NE-OD1 3.76Å; R175-D177 PolarHBondContact NE-OD1 2.81Å; D177-A180 WeakPolarHBondContact O-CB 3.49Å; D177-A180 PolarHBondContact O-N 2.75Å
178	G	98.3	Very high	97.9	Very high	12 Å²	12	30.2 Å²	30.2	12%	0.124	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	144.3	172.1	0	0	0	0	0	111.3	A154 A180 E200	A154-G178 WeakPolarHBondContact CA-O 3.26Å; A154-G178 WeakPolarHBondContact CB-O 3.48Å; G178-A180 PolarHBondContact O-N 2.64Å; G178-E200 PolarHBondContact N-OE2 3.37Å
179	D	98.3	Very high	97.9	Very high	43 Å²	43	33.4 Å²	33.4	23%	0.23	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	15.2	-178.6	-63.3	-66.3	0	0	0	115.4	A154 F155 F181 N182 N202 H205	A154-D179 HydrophobicContact CB-CB 4.46Å; F155-D179 HydrophobicContact CD1-CB 4.49Å; F155-D179 HydrophobicContact CE1-CB 3.93Å; F155-D179 HydrophobicContact CE2-CB 4.4Å; F155-D179 HydrophobicContact CZ-CB 3.87Å; F155-D179 PolarHBondContact N-O 2.94Å; D179-F181 VanDerWaalsContact C-N 3.25Å; D179-F181 PolarHBondContact O-N 3.32Å; D179-N182 HydrophobicContact CB-CB 3.94Å; D179-N182 WeakPolarHBondContact O-CB 3.36Å; D179-N182 PolarHBondContact O-N 2.93Å; D179-N182 PolarHBondContact OD1-ND2 3.09Å; D179-N202 PolarHBondContact N-O 2.91Å; D179-N202 VanDerWaalsContact N-O 3.07Å; D179-H205 WeakPolarHBondContact OD1-CB 3.46Å; D179-H205 IonicContact OD1-CE1 3.72Å; D179-H205 IonicContact OD1-CG 3.24Å; D179-H205 IonicContact OD1-ND1 2.87Å; D179-H205 PolarHBondContact OD1-ND1 2.81Å
180	A	98.7	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.9	178.7	0	0	0	0	0	113.6	I152 A153 F157 I176 D177 G178	I152-A180 HydrophobicContact CB-CB 4.47Å; I152-A180 HydrophobicContact CG2-CB 3.9Å; A153-A180 WeakPolarHBondContact O-CA 3.39Å; F157-A180 WeakPolarHBondContact CD2-O 3.49Å; I176-A180 HydrophobicContact CG2-CB 3.49Å; I176-A180 VanDerWaalsContact CG2-CB 3.49Å; D177-A180 WeakPolarHBondContact O-CB 3.49Å; D177-A180 PolarHBondContact O-N 2.75Å; G178-A180 PolarHBondContact O-N 2.64Å
181	F	98.3	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	9.3	179.6	-57.2	-73.5	0	0	0	113.7	F157 L166 L168 I176 D179 G183 L184 L190 L192 A203 F204 L207	F157-F181 AromaticContact CD2-CD1 3.97Å; F157-F181 HydrophobicContact CD2-CD1 3.97Å; F157-F181 HydrophobicContact CD2-CE1 4.42Å; F157-F181 AromaticContact CE2-CD1 3.88Å; F157-F181 HydrophobicContact CE2-CD1 3.88Å; F157-F181 AromaticContact CE2-CE1 3.87Å; F157-F181 HydrophobicContact CE2-CE1 3.87Å; L166-F181 HydrophobicContact CD2-CD1 3.85Å; L166-F181 HydrophobicContact CD2-CE1 3.7Å; L168-F181 HydrophobicContact CD1-CE1 3.83Å; L168-F181 HydrophobicContact CD1-CZ 4.13Å; I176-F181 HydrophobicContact CD1-CE2 4.15Å; I176-F181 HydrophobicContact CD1-CZ 4.13Å; I176-F181 HydrophobicContact CG2-CD2 4.43Å; I176-F181 HydrophobicContact CG2-CE2 3.73Å; I176-F181 HydrophobicContact CG2-CZ 4.33Å; D179-F181 VanDerWaalsContact C-N 3.25Å; D179-F181 PolarHBondContact O-N 3.32Å; F181-G183 PolarHBondContact O-N 3.41Å; F181-L184 HydrophobicContact CB-CD1 4.38Å; F181-L184 HydrophobicContact CD1-CD1 4.15Å; F181-L184 WeakPolarHBondContact O-CB 3.22Å; F181-L184 WeakPolarHBondContact O-CG 3.39Å; F181-L184 PolarHBondContact O-N 3.01Å; F181-L184 VanDerWaalsContact O-N 3.14Å; F181-L190 HydrophobicContact CD1-CD1 4.47Å; F181-L190 HydrophobicContact CE1-CD1 3.9Å; F181-L190 HydrophobicContact CZ-CD1 4.34Å; F181-L192 HydrophobicContact CE2-CD1 4.2Å; F181-L192 HydrophobicContact CZ-CD1 3.8Å; F181-A203 WeakPolarHBondContact CD2-O 3.26Å; F181-A203 PolarHBondContact N-O 3.49Å; F181-F204 AromaticContact CD2-CD1 3.43Å; F181-F204 HydrophobicContact CD2-CD1 3.43Å; F181-F204 VanDerWaalsContact CD2-CD1 3.43Å; F181-F204 AromaticContact CD2-CE1 3.73Å; F181-F204 HydrophobicContact CD2-CE1 3.73Å; F181-F204 HydrophobicContact CD2-CG 4.35Å; F181-F204 AromaticContact CE2-CD1 3.69Å; F181-F204 HydrophobicContact CE2-CD1 3.69Å; F181-F204 AromaticContact CE2-CE1 3.43Å; F181-F204 HydrophobicContact CE2-CE1 3.43Å; F181-F204 VanDerWaalsContact CE2-CE1 3.43Å; F181-F204 HydrophobicContact CE2-CZ 4.36Å; F181-F204 HydrophobicContact CG-CD1 4.32Å; F181-F204 HydrophobicContact CZ-CE1 4.3Å; F181-L207 HydrophobicContact CB-CD2 4.29Å
182	N	97.5	Very high	98	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.08	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	136.1	-177.2	-163	-26.6	0	0	0	110.8	F155 F158 D179 N206	F155-N182 HydrophobicContact CD1-CB 3.95Å; F155-N182 HydrophobicContact CE1-CB 3.94Å; F158-N182 WeakPolarHBondContact CA-O 3.29Å; D179-N182 HydrophobicContact CB-CB 3.94Å; D179-N182 WeakPolarHBondContact O-CB 3.36Å; D179-N182 PolarHBondContact O-N 2.93Å; D179-N182 PolarHBondContact OD1-ND2 3.09Å; N182-N206 PolarHBondContact OD1-ND2 3.11Å; N182-N206 VanDerWaalsContact OD1-ND2 3.11Å
183	G	94.4	Very high	98.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-9.7	-173.6	0	0	0	0	0	114.5	A161 F181 Y185	A161-G183 WeakPolarHBondContact CA-O 3.36Å; A161-G183 WeakPolarHBondContact CB-O 3.4Å; F181-G183 PolarHBondContact O-N 3.41Å; G183-Y185 WeakPolarHBondContact O-CE2 3.19Å
184	L	97	Very high	98.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	13%	0.131	C	C	.	.			trans	-88.8	114.3	166.3	-55.5	-173.5	0	0	0	108.1	F157 S160 I163 L166 F181 V187 L207	F157-L184 HydrophobicContact CB-CD1 3.93Å; F157-L184 HydrophobicContact CB-CD2 3.82Å; F157-L184 HydrophobicContact CB-CG 3.96Å; F157-L184 HydrophobicContact CD2-CD1 4.1Å; F157-L184 HydrophobicContact CG-CD1 4.17Å; S160-L184 WeakPolarHBondContact O-CD2 3.3Å; I163-L184 HydrophobicContact CB-CD2 4.26Å; I163-L184 HydrophobicContact CD1-CD2 3.98Å; I163-L184 HydrophobicContact CG1-CD2 4.44Å; L166-L184 HydrophobicContact CD2-CD1 3.81Å; F181-L184 HydrophobicContact CB-CD1 4.38Å; F181-L184 HydrophobicContact CD1-CD1 4.15Å; F181-L184 WeakPolarHBondContact O-CB 3.22Å; F181-L184 WeakPolarHBondContact O-CG 3.39Å; F181-L184 PolarHBondContact O-N 3.01Å; F181-L184 VanDerWaalsContact O-N 3.14Å; L184-V187 HydrophobicContact CB-CG2 4.02Å; L184-V187 HydrophobicContact CD1-CG2 4.3Å; L184-L207 HydrophobicContact CB-CD1 3.75Å; L184-L207 VanDerWaalsContact O-CA 3.25Å; L184-L207 WeakPolarHBondContact O-CA 3.49Å; L184-L207 VanDerWaalsContact O-CD1 3.29Å; L184-L207 WeakPolarHBondContact O-CD1 3.28Å
185	Y	96.2	Very high	98	Very high	109 Å²	109	27.9 Å²	27.9	43%	0.427	13%	0.133	S	C	.	.			trans	-103.4	-25	-174.7	-56.8	-69.3	0	0	0	114	A161 G183 N206 S208 R209	A161-Y185 HydrophobicContact CB-CD2 3.8Å; A161-Y185 HydrophobicContact CB-CE2 4.11Å; G183-Y185 WeakPolarHBondContact O-CE2 3.19Å; Y185-N206 WeakPolarHBondContact CD1-O 3.44Å; Y185-N206 HydrophobicContact CE1-CB 4.2Å; Y185-S208 PolarHBondContact O-N 3.44Å; Y185-S208 PolarHBondContact O-OG 2.67Å; Y185-R209 PolarHBondContact O-N 2.99Å
186	D	97.4	Very high	98	Very high	59 Å²	59	25 Å²	25	32%	0.316	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	88.8	-170.1	-177.1	27.9	0	0	0	110.6	I163 R164 R209	I163-D186 VanDerWaalsContact O-O 3.09Å; R164-D186 WeakPolarHBondContact CD-O 3.35Å; R164-D186 IonicContact CZ-OD2 3.44Å; R164-D186 IonicContact NE-OD2 2.7Å; R164-D186 PolarHBondContact NH1-O 3.13Å; R164-D186 IonicContact NH1-OD2 3.13Å; R164-D186 IonicContact NH2-OD2 2.75Å; R164-D186 PolarHBondContact NH2-OD2 2.95Å; D186-R209 WeakPolarHBondContact CA-O 3.49Å
187	V	98.5	Very high	98	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131	-178.8	176.7	0	0	0	0	109.4	L184 L190 L207 R209 V210 H211	L184-V187 HydrophobicContact CB-CG2 4.02Å; L184-V187 HydrophobicContact CD1-CG2 4.3Å; V187-L190 HydrophobicContact CG1-CB 4.03Å; V187-L207 HydrophobicContact CB-CD1 4.11Å; V187-L207 HydrophobicContact CG2-CD1 3.58Å; V187-R209 PolarHBondContact N-O 2.67Å; V187-V210 CarbonylContact O-C 3.53Å; V187-V210 WeakPolarHBondContact O-CA 3.4Å; V187-H211 PolarHBondContact O-N 3.07Å
188	Q	98.7	Very high	98	Very high	87 Å²	87	27.5 Å²	27.5	41%	0.407	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-48	178.2	-165.8	-179.5	7.8	0	0	111.5	R164 H211 F212	R164-Q188 HydrophobicContact CB-CB 4.29Å; R164-Q188 CarbonylContact O-C 3.07Å; R164-Q188 WeakPolarHBondContact O-CA 3.25Å; R164-Q188 VanDerWaalsContact O-CB 3.32Å; R164-Q188 WeakPolarHBondContact O-CB 3.4Å; R164-Q188 PolarHBondContact O-N 3.12Å; Q188-H211 HydrophobicContact CG-CB 4.05Å; Q188-H211 VanDerWaalsContact O-CB 3.3Å; Q188-H211 WeakPolarHBondContact O-CB 3.34Å; Q188-F212 PolarHBondContact O-N 3.35Å
189	F	98.8	Very high	98	Very high	68 Å²	68	27 Å²	27	30%	0.298	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.6	-177.7	-60.4	-75.1	0	0	0	109.6	R164 V165 L166 F212	R164-F189 PolarHBondContact O-N 2.89Å; V165-F189 WeakPolarHBondContact CA-O 3.25Å; V165-F189 HydrophobicContact CG1-CB 4.45Å; V165-F189 HydrophobicContact CG2-CB 4.43Å; V165-F189 HydrophobicContact CG2-CD2 4.04Å; L166-F189 PolarHBondContact N-O 3.5Å; F189-F212 HydrophobicContact CD1-CB 3.85Å; F189-F212 AromaticContact CD1-CD1 3.95Å; F189-F212 HydrophobicContact CD1-CD1 3.95Å; F189-F212 HydrophobicContact CD1-CG 4.33Å; F189-F212 HydrophobicContact CE1-CB 4.18Å
190	L	98.8	Very high	98	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	107.9	175.8	-179.7	56.5	0	0	0	109.3	L166 F181 V187 L192 F204 L207 V210 F212 I213 D214	L166-L190 HydrophobicContact CB-CD1 3.9Å; L166-L190 HydrophobicContact CD2-CD1 3.83Å; L166-L190 HydrophobicContact CG-CD1 3.93Å; L166-L190 WeakPolarHBondContact O-CA 3.19Å; F181-L190 HydrophobicContact CD1-CD1 4.47Å; F181-L190 HydrophobicContact CE1-CD1 3.9Å; F181-L190 HydrophobicContact CZ-CD1 4.34Å; V187-L190 HydrophobicContact CG1-CB 4.03Å; L190-L192 HydrophobicContact CD2-CD2 4.19Å; L190-L192 HydrophobicContact CG-CD2 3.75Å; L190-F204 HydrophobicContact CD2-CD1 4.25Å; L190-F204 HydrophobicContact CD2-CE1 4.02Å; L190-L207 HydrophobicContact CD2-CD2 3.67Å; L190-V210 HydrophobicContact CB-CG1 4.32Å; L190-F212 PolarHBondContact N-O 2.9Å; L190-I213 HydrophobicContact CB-CG1 4.39Å; L190-I213 HydrophobicContact CD2-CD1 4.07Å; L190-I213 HydrophobicContact CD2-CG1 4.25Å; L190-I213 HydrophobicContact CG-CG1 4.33Å; L190-I213 WeakPolarHBondContact O-CA 3.41Å; L190-D214 PolarHBondContact O-N 3.15Å
191	H	98.8	Very high	97.9	Very high	30 Å²	30	29.1 Å²	29.1	14%	0.139	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.6	175.5	-57.2	-69.6	0	0	0	109.9	L166 D167 L168 R169 D214	L166-H191 PolarHBondContact O-N 3.38Å; D167-H191 HydrophobicContact CB-CB 4.38Å; D167-H191 WeakPolarHBondContact OD1-CB 3.44Å; D167-H191 IonicContact OD2-CD2 3.47Å; L168-H191 PolarHBondContact N-O 2.79Å; R169-H191 HydrophobicContact CG-CB 3.83Å; H191-D214 WeakPolarHBondContact ND1-CB 3.25Å; H191-D214 IonicContact ND1-OD2 2.88Å
192	L	98.7	Very high	97.9	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-80.6	163.3	-175.7	-76.8	-57.1	0	0	0	110.6	R169 I176 F181 L190 F204 I213 D214 I215	R169-L192 WeakPolarHBondContact CG-O 3.08Å; I176-L192 HydrophobicContact CD1-CD1 3.54Å; F181-L192 HydrophobicContact CE2-CD1 4.2Å; F181-L192 HydrophobicContact CZ-CD1 3.8Å; L190-L192 HydrophobicContact CD2-CD2 4.19Å; L190-L192 HydrophobicContact CG-CD2 3.75Å; L192-F204 HydrophobicContact CD1-CE1 4.16Å; L192-F204 HydrophobicContact CD1-CZ 4.34Å; L192-I213 HydrophobicContact CD2-CD1 3.74Å; L192-I213 HydrophobicContact CD2-CG1 3.36Å; L192-D214 PolarHBondContact N-O 2.97Å; L192-I215 HydrophobicContact CB-CG1 4.36Å; L192-I215 HydrophobicContact CD2-CG1 3.92Å; L192-I215 HydrophobicContact CG-CG1 4.02Å
193	P	98.5	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-54.2	149	171.7	-26.7	36.2	0	0	0	113.9	L168 I173 I176 L196	L168-P193 HydrophobicContact CB-CG 4.26Å; L168-P193 WeakPolarHBondContact O-CA 3.49Å; I173-P193 HydrophobicContact CB-CB 3.76Å; I173-P193 HydrophobicContact CB-CG 3.74Å; I173-P193 HydrophobicContact CD1-CB 4.39Å; I173-P193 HydrophobicContact CD1-CG 3.94Å; I173-P193 HydrophobicContact CG1-CG 4.47Å; I173-P193 HydrophobicContact CG2-CB 4.11Å; I173-P193 HydrophobicContact CG2-CG 3.6Å; I176-P193 HydrophobicContact CD1-CG 4.43Å; P193-L196 HydrophobicContact CB-CB 4.43Å; P193-L196 HydrophobicContact CB-CD1 4.21Å; P193-L196 HydrophobicContact CG-CD1 4.28Å
194	L	98	Very high	98.1	Very high	35 Å²	35	30.3 Å²	30.3	18%	0.183	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	150.1	172.1	-62.8	178.6	0	0	0	109.1	R169 S170 D171 L196 R216	R169-L194 HydrophobicContact CB-CG 4.29Å; S170-L194 PolarHBondContact O-N 3Å; D171-L194 WeakPolarHBondContact OD1-CB 3.45Å; L194-L196 PolarHBondContact O-N 3.21Å; L194-R216 HydrophobicContact CD2-CB 3.93Å
195	N	97.3	Very high	98	Very high	45 Å²	45	33.3 Å²	33.3	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	30	-179.1	-63.8	-57.1	0	0	0	113.3	D171 K174 Q217	D171-N195 PolarHBondContact OD1-ND2 3.32Å; K174-N195 WeakPolarHBondContact CD-O 3.18Å; K174-N195 PolarHBondContact NZ-O 3.11Å; K174-N195 VanDerWaalsContact NZ-O 3.09Å; N195-Q217 WeakPolarHBondContact CA-O 3.39Å; N195-Q217 PolarHBondContact N-O 3.19Å
196	L	98.2	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.			trans	-60.3	144.1	173.5	-172.2	67.5	0	0	0	108.8	K174 I176 P193 L194 I199 W218 R219	K174-L196 WeakPolarHBondContact O-CD1 3.35Å; I176-L196 HydrophobicContact CD1-CD1 4.27Å; I176-L196 HydrophobicContact CD1-CD2 3.85Å; I176-L196 HydrophobicContact CG1-CD1 3.98Å; I176-L196 HydrophobicContact CG1-CD2 4.35Å; P193-L196 HydrophobicContact CB-CB 4.43Å; P193-L196 HydrophobicContact CB-CD1 4.21Å; P193-L196 HydrophobicContact CG-CD1 4.28Å; L194-L196 PolarHBondContact O-N 3.21Å; L196-I199 HydrophobicContact CD2-CD1 3.71Å; L196-I199 HydrophobicContact CD2-CG1 3.36Å; L196-I199 HydrophobicContact CG-CG1 4.35Å; L196-W218 VanDerWaalsContact O-CD1 3.31Å; L196-R219 PolarHBondContact O-N 3.23Å
197	E	98.3	Very high	97.8	Very high	60 Å²	60	28.3 Å²	28.3	28%	0.28	14%	0.141	S	C	.	.			trans	-108	-56.4	177.3	-69.2	170.4	-167.3	0	0	108.8	K174 W218 R219	K174-E197 HydrophobicContact CD-CG 4.36Å; K174-E197 PolarHBondContact O-N 3.3Å; E197-W218 PolarHBondContact O-NE1 3.28Å; E197-W218 VanDerWaalsContact O-NE1 3.12Å; E197-R219 HydrophobicContact CG-CB 4.35Å
198	T	98.5	Very high	97.6	Very high	8 Å²	8	29.8 Å²	29.8	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.6	-175	-57.3	0	0	0	0	112.6	K174 R175 I176 E200 S223 E224	K174-T198 PolarHBondContact O-N 3.27Å; R175-T198 CarbonylContact C-O 3.18Å; R175-T198 WeakPolarHBondContact CA-O 2.9Å; I176-T198 PolarHBondContact N-O 2.72Å; T198-E200 HydrophobicContact CG2-CG 4.36Å; T198-S223 WeakPolarHBondContact OG1-CB 3.42Å; T198-E224 WeakPolarHBondContact CG2-OE2 3.26Å; T198-E224 PolarHBondContact OG1-OE2 3.02Å
199	I	98.6	Very high	97.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.8	156.3	-60.6	177.5	0	0	0	106	I176 L196 A203 F204 W218 T232	I176-I199 HydrophobicContact CD1-CG1 4.49Å; L196-I199 HydrophobicContact CD2-CD1 3.71Å; L196-I199 HydrophobicContact CD2-CG1 3.36Å; L196-I199 HydrophobicContact CG-CG1 4.35Å; I199-A203 HydrophobicContact CG2-CB 3.53Å; I199-F204 HydrophobicContact CD1-CE2 4.35Å; I199-F204 HydrophobicContact CD1-CZ 4.2Å; I199-F204 HydrophobicContact CG2-CE2 3.9Å; I199-F204 HydrophobicContact CG2-CZ 4.34Å; I199-W218 HydrophobicContact CB-CZ2 4.03Å; I199-W218 HydrophobicContact CD1-CD2 4.29Å; I199-W218 HydrophobicContact CD1-CE3 4.48Å; I199-W218 HydrophobicContact CD1-CH2 3.87Å; I199-W218 HydrophobicContact CD1-CZ2 3.67Å; I199-W218 HydrophobicContact CD1-CZ3 4.3Å; I199-W218 HydrophobicContact CG1-CH2 4.49Å; I199-W218 HydrophobicContact CG1-CZ2 3.86Å; I199-T232 HydrophobicContact CB-CG2 4.03Å; I199-T232 HydrophobicContact CD1-CG2 4.44Å; I199-T232 HydrophobicContact CG2-CG2 3.74Å
200	E	98.4	Very high	97.5	Very high	48 Å²	48	29.2 Å²	29.2	22%	0.224	14%	0.144	C	C	.	.			trans	-67.5	150.2	176.5	-74.1	-172.4	-176.4	0	0	111.6	R175 I176 G178 T198 N202 A203	R175-E200 IonicContact CZ-OE1 3.91Å; R175-E200 IonicContact NE-OE1 2.96Å; R175-E200 PolarHBondContact NE-OE1 2.96Å; R175-E200 VanDerWaalsContact NH2-CD 3.34Å; R175-E200 VanDerWaalsContact NH2-CG 3.31Å; R175-E200 IonicContact NH2-OE1 3.72Å; R175-E200 PolarHBondContact NH2-OE1 3.27Å; I176-E200 PolarHBondContact O-N 2.92Å; G178-E200 PolarHBondContact N-OE2 3.37Å; T198-E200 HydrophobicContact CG2-CG 4.36Å; E200-N202 PolarHBondContact O-N 3.47Å; E200-A203 VanDerWaalsContact O-CB 3.3Å; E200-A203 WeakPolarHBondContact O-CB 3.37Å; E200-A203 PolarHBondContact O-N 3.48Å
201	P	97.5	Very high	97.5	Very high	38 Å²	38	33.5 Å²	33.5	25%	0.247	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	134.3	168.3	-27.8	36.3	0	0	0	111.9	A203 W225 A229 H231	P201-A203 VanDerWaalsContact C-N 3.3Å; P201-A203 PolarHBondContact O-N 2.97Å; P201-W225 HydrophobicContact CG-CZ2 4.49Å; P201-A229 HydrophobicContact CG-CB 4.41Å; P201-H231 HydrophobicContact CB-CB 4.32Å
202	N	97.1	Very high	97.5	Very high	42 Å²	42	33.3 Å²	33.3	23%	0.225	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	18.4	-176.5	-38.4	-73.3	0	0	0	115.3	D179 E200 F204 H205 H231 R234	D179-N202 PolarHBondContact N-O 2.91Å; D179-N202 VanDerWaalsContact N-O 3.07Å; E200-N202 PolarHBondContact O-N 3.47Å; N202-F204 PolarHBondContact O-N 3.2Å; N202-H205 HydrophobicContact CB-CB 4.14Å; N202-H205 VanDerWaalsContact O-CB 3.25Å; N202-H205 WeakPolarHBondContact O-CB 3.21Å; N202-H205 PolarHBondContact O-N 3.14Å; N202-H205 VanDerWaalsContact O-N 3.08Å; N202-H231 PolarHBondContact N-O 3.07Å; N202-R234 WeakPolarHBondContact OD1-CD 3.37Å; N202-R234 PolarHBondContact OD1-NH1 3.08Å
203	A	98.3	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-37	171.9	0	0	0	0	0	113.1	I176 F181 I199 E200 P201	I176-A203 HydrophobicContact CG2-CB 3.82Å; F181-A203 WeakPolarHBondContact CD2-O 3.26Å; F181-A203 PolarHBondContact N-O 3.49Å; I199-A203 HydrophobicContact CG2-CB 3.53Å; E200-A203 VanDerWaalsContact O-CB 3.3Å; E200-A203 WeakPolarHBondContact O-CB 3.37Å; E200-A203 PolarHBondContact O-N 3.48Å; P201-A203 VanDerWaalsContact C-N 3.3Å; P201-A203 PolarHBondContact O-N 2.97Å
204	F	97.6	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	21.2	179	-49.7	-75.7	0	0	0	114.1	F181 L190 L192 I199 N202 N206 L207 I213 T232 F233 R234 M236	F181-F204 AromaticContact CD2-CD1 3.43Å; F181-F204 HydrophobicContact CD2-CD1 3.43Å; F181-F204 VanDerWaalsContact CD2-CD1 3.43Å; F181-F204 AromaticContact CD2-CE1 3.73Å; F181-F204 HydrophobicContact CD2-CE1 3.73Å; F181-F204 HydrophobicContact CD2-CG 4.35Å; F181-F204 AromaticContact CE2-CD1 3.69Å; F181-F204 HydrophobicContact CE2-CD1 3.69Å; F181-F204 AromaticContact CE2-CE1 3.43Å; F181-F204 HydrophobicContact CE2-CE1 3.43Å; F181-F204 VanDerWaalsContact CE2-CE1 3.43Å; F181-F204 HydrophobicContact CE2-CZ 4.36Å; F181-F204 HydrophobicContact CG-CD1 4.32Å; F181-F204 HydrophobicContact CZ-CE1 4.3Å; L190-F204 HydrophobicContact CD2-CD1 4.25Å; L190-F204 HydrophobicContact CD2-CE1 4.02Å; L192-F204 HydrophobicContact CD1-CE1 4.16Å; L192-F204 HydrophobicContact CD1-CZ 4.34Å; I199-F204 HydrophobicContact CD1-CE2 4.35Å; I199-F204 HydrophobicContact CD1-CZ 4.2Å; I199-F204 HydrophobicContact CG2-CE2 3.9Å; I199-F204 HydrophobicContact CG2-CZ 4.34Å; N202-F204 PolarHBondContact O-N 3.2Å; F204-N206 PolarHBondContact O-N 3.18Å; F204-L207 HydrophobicContact CB-CB 4.26Å; F204-L207 HydrophobicContact CB-CD2 4.29Å; F204-L207 HydrophobicContact CD1-CD2 3.85Å; F204-L207 VanDerWaalsContact O-CB 3.26Å; F204-L207 WeakPolarHBondContact O-CB 3.3Å; F204-L207 PolarHBondContact O-N 3.19Å; F204-L207 VanDerWaalsContact O-N 3.08Å; F204-I213 HydrophobicContact CE1-CD1 3.88Å; F204-I213 HydrophobicContact CZ-CD1 3.95Å; F204-T232 WeakPolarHBondContact CD2-O 3.44Å; F204-F233 AromaticContact CD2-CD1 3.96Å; F204-F233 HydrophobicContact CD2-CD1 3.96Å; F204-F233 AromaticContact CE2-CD1 3.67Å; F204-F233 HydrophobicContact CE2-CD1 3.67Å; F204-F233 AromaticContact CE2-CE1 3.82Å; F204-F233 HydrophobicContact CE2-CE1 3.82Å; F204-F233 HydrophobicContact CZ-CE1 4.4Å; F204-R234 CarbonylContact C-O 2.93Å; F204-M236 HydrophobicContact CB-CG 3.56Å; F204-M236 HydrophobicContact CB-SD 3.93Å; F204-M236 HydrophobicContact CD1-SD 4.08Å; F204-M236 HydrophobicContact CD2-CE 4.31Å; F204-M236 HydrophobicContact CD2-SD 4.33Å; F204-M236 HydrophobicContact CG-CE 4.43Å; F204-M236 HydrophobicContact CG-CG 4.19Å; F204-M236 HydrophobicContact CG-SD 3.87Å
205	H	95.1	Very high	97.5	Very high	64 Å²	64	32.1 Å²	32.1	30%	0.296	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	134.9	177.6	-172.1	-172.5	0	0	0	111	D179 N202 L207 R234	D179-H205 WeakPolarHBondContact OD1-CB 3.46Å; D179-H205 IonicContact OD1-CE1 3.72Å; D179-H205 IonicContact OD1-CG 3.24Å; D179-H205 IonicContact OD1-ND1 2.87Å; D179-H205 PolarHBondContact OD1-ND1 2.81Å; N202-H205 HydrophobicContact CB-CB 4.14Å; N202-H205 VanDerWaalsContact O-CB 3.25Å; N202-H205 WeakPolarHBondContact O-CB 3.21Å; N202-H205 PolarHBondContact O-N 3.14Å; N202-H205 VanDerWaalsContact O-N 3.08Å; H205-L207 PolarHBondContact O-N 3.37Å; H205-R234 PolarHBondContact N-O 3.44Å
206	N	93.5	Very high	97.6	Very high	64 Å²	64	34.3 Å²	34.3	34%	0.342	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	4.5	-176.4	-66.3	-26.5	0	0	0	116.1	N182 Y185 F204 S208	N182-N206 PolarHBondContact OD1-ND2 3.11Å; N182-N206 VanDerWaalsContact OD1-ND2 3.11Å; Y185-N206 WeakPolarHBondContact CD1-O 3.44Å; Y185-N206 HydrophobicContact CE1-CB 4.2Å; F204-N206 PolarHBondContact O-N 3.18Å; N206-S208 PolarHBondContact O-N 3.22Å
207	L	96.4	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.			trans	-75.4	60.6	171.5	-171.9	59.9	0	0	0	111.8	F181 L184 V187 L190 F204 H205 R209 V210 M236	F181-L207 HydrophobicContact CB-CD2 4.29Å; L184-L207 HydrophobicContact CB-CD1 3.75Å; L184-L207 VanDerWaalsContact O-CA 3.25Å; L184-L207 WeakPolarHBondContact O-CA 3.49Å; L184-L207 VanDerWaalsContact O-CD1 3.29Å; L184-L207 WeakPolarHBondContact O-CD1 3.28Å; V187-L207 HydrophobicContact CB-CD1 4.11Å; V187-L207 HydrophobicContact CG2-CD1 3.58Å; L190-L207 HydrophobicContact CD2-CD2 3.67Å; F204-L207 HydrophobicContact CB-CB 4.26Å; F204-L207 HydrophobicContact CB-CD2 4.29Å; F204-L207 HydrophobicContact CD1-CD2 3.85Å; F204-L207 VanDerWaalsContact O-CB 3.26Å; F204-L207 WeakPolarHBondContact O-CB 3.3Å; F204-L207 PolarHBondContact O-N 3.19Å; F204-L207 VanDerWaalsContact O-N 3.08Å; H205-L207 PolarHBondContact O-N 3.37Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.28Å; L207-R209 VanDerWaalsContact O-N 3.15Å; L207-V210 HydrophobicContact CD1-CG2 4.03Å; L207-V210 HydrophobicContact CD2-CG2 3.56Å; L207-V210 HydrophobicContact CG-CG2 3.44Å; L207-V210 VanDerWaalsContact CG-CG2 3.44Å; L207-M236 HydrophobicContact CB-CG 4.15Å; L207-M236 HydrophobicContact CD2-CG 4.27Å; L207-M236 HydrophobicContact CD2-SD 4.15Å; L207-M236 HydrophobicContact CG-CG 4.33Å; L207-M236 VanDerWaalsContact O-CA 3.28Å; L207-M236 WeakPolarHBondContact O-CA 3.16Å
208	S	95	Very high	97.6	Very high	31 Å²	31	35.2 Å²	35.2	22%	0.217	17%	0.165	C	C	.	.			trans	-63.2	-28.5	-159.6	69	0	0	0	0	115.1	Y185 N206 K237 H238	Y185-S208 PolarHBondContact O-N 3.44Å; Y185-S208 PolarHBondContact O-OG 2.67Å; N206-S208 PolarHBondContact O-N 3.22Å; S208-K237 PolarHBondContact O-N 3.24Å; S208-H238 PolarHBondContact O-N 3.05Å
209	R	97.6	Very high	97.6	Very high	141 Å²	141	39.8 Å²	39.8	53%	0.532	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.3	175.4	-63	-170	-179	125.5	1.6	110.3	Y185 D186 V187 L207 H238	Y185-R209 PolarHBondContact O-N 2.99Å; D186-R209 WeakPolarHBondContact CA-O 3.49Å; V187-R209 PolarHBondContact N-O 2.67Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.28Å; L207-R209 VanDerWaalsContact O-N 3.15Å; R209-H238 WeakPolarHBondContact CA-O 3.46Å; R209-H238 HydrophobicContact CG-CB 4.25Å
210	V	98.1	Very high	97.6	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.3	170.7	-173.7	0	0	0	0	109.3	V187 L190 L207 I213 M236 H238 V239 S240	V187-V210 CarbonylContact O-C 3.53Å; V187-V210 WeakPolarHBondContact O-CA 3.4Å; L190-V210 HydrophobicContact CB-CG1 4.32Å; L207-V210 HydrophobicContact CD1-CG2 4.03Å; L207-V210 HydrophobicContact CD2-CG2 3.56Å; L207-V210 HydrophobicContact CG-CG2 3.44Å; L207-V210 VanDerWaalsContact CG-CG2 3.44Å; V210-I213 HydrophobicContact CG1-CB 4.11Å; V210-M236 HydrophobicContact CG2-CG 4.32Å; V210-M236 HydrophobicContact CG2-SD 3.96Å; V210-H238 PolarHBondContact N-O 3.17Å; V210-V239 HydrophobicContact CB-CG1 4.35Å; V210-V239 HydrophobicContact CB-CG2 4.33Å; V210-V239 CarbonylContact O-C 3.57Å; V210-V239 WeakPolarHBondContact O-CA 3.47Å; V210-V239 WeakPolarHBondContact O-CG1 3.21Å; V210-S240 PolarHBondContact O-N 2.94Å; V210-S240 VanDerWaalsContact O-N 3.11Å
211	H	98.5	Very high	97.6	Very high	90 Å²	90	40.6 Å²	40.6	42%	0.417	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-54	174.6	175.3	69.2	0	0	0	110.7	V187 Q188 S240 S241	V187-H211 PolarHBondContact O-N 3.07Å; Q188-H211 HydrophobicContact CG-CB 4.05Å; Q188-H211 VanDerWaalsContact O-CB 3.3Å; Q188-H211 WeakPolarHBondContact O-CB 3.34Å; H211-S240 WeakPolarHBondContact ND1-CB 3.16Å; H211-S240 PolarHBondContact ND1-OG 3.05Å; H211-S240 VanDerWaalsContact ND1-OG 3.09Å; H211-S240 CarbonylContact O-C 3.54Å; H211-S240 WeakPolarHBondContact O-CA 3.32Å; H211-S240 WeakPolarHBondContact O-CB 3.44Å; H211-S240 PolarHBondContact O-N 2.87Å; H211-S241 PolarHBondContact O-N 2.81Å
212	F	98.7	Very high	97.6	Very high	26 Å²	26	42 Å²	42	11%	0.114	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.8	-179.1	179.4	-111.2	0	0	0	112	Q188 F189 L190 D214 S241 R243	Q188-F212 PolarHBondContact O-N 3.35Å; F189-F212 HydrophobicContact CD1-CB 3.85Å; F189-F212 AromaticContact CD1-CD1 3.95Å; F189-F212 HydrophobicContact CD1-CD1 3.95Å; F189-F212 HydrophobicContact CD1-CG 4.33Å; F189-F212 HydrophobicContact CE1-CB 4.18Å; L190-F212 PolarHBondContact N-O 2.9Å; F212-D214 HydrophobicContact CD1-CB 4.45Å; F212-D214 HydrophobicContact CE1-CB 3.62Å; F212-D214 HydrophobicContact CZ-CB 3.89Å; F212-S241 WeakPolarHBondContact CA-O 3.29Å; F212-R243 HydrophobicContact CE2-CB 3.85Å; F212-R243 HydrophobicContact CZ-CB 4.15Å
213	I	98.6	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.9	171.4	-172.6	175.4	0	0	0	110	L190 L192 F204 V210 I215 M236 V239 S241 I242 R243	L190-I213 HydrophobicContact CB-CG1 4.39Å; L190-I213 HydrophobicContact CD2-CD1 4.07Å; L190-I213 HydrophobicContact CD2-CG1 4.25Å; L190-I213 HydrophobicContact CG-CG1 4.33Å; L190-I213 WeakPolarHBondContact O-CA 3.41Å; L192-I213 HydrophobicContact CD2-CD1 3.74Å; L192-I213 HydrophobicContact CD2-CG1 3.36Å; F204-I213 HydrophobicContact CE1-CD1 3.88Å; F204-I213 HydrophobicContact CZ-CD1 3.95Å; V210-I213 HydrophobicContact CG1-CB 4.11Å; I213-I215 HydrophobicContact CD1-CD1 4.15Å; I213-I215 HydrophobicContact CD1-CG1 4.41Å; I213-I215 HydrophobicContact CG1-CD1 4.36Å; I213-I215 HydrophobicContact CG1-CG1 4.11Å; I213-M236 HydrophobicContact CD1-CE 4.34Å; I213-M236 HydrophobicContact CD1-SD 4.09Å; I213-V239 HydrophobicContact CG2-CG1 4.35Å; I213-S241 PolarHBondContact N-O 2.79Å; I213-I242 HydrophobicContact CG2-CB 3.86Å; I213-I242 HydrophobicContact CG2-CG1 3.63Å; I213-I242 HydrophobicContact CG2-CG2 3.89Å; I213-R243 PolarHBondContact O-N 3.29Å
214	D	98.6	Very high	97.6	Very high	12 Å²	12	45.3 Å²	45.3	6%	0.064	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.1	178.8	-171.5	35.8	0	0	0	109.9	L190 H191 L192 F212 R216	L190-D214 PolarHBondContact O-N 3.15Å; H191-D214 WeakPolarHBondContact ND1-CB 3.25Å; H191-D214 IonicContact ND1-OD2 2.88Å; L192-D214 PolarHBondContact N-O 2.97Å; F212-D214 HydrophobicContact CD1-CB 4.45Å; F212-D214 HydrophobicContact CE1-CB 3.62Å; F212-D214 HydrophobicContact CZ-CB 3.89Å; D214-R216 IonicContact OD1-NE 3.92Å; D214-R216 IonicContact OD2-CZ 2.81Å; D214-R216 IonicContact OD2-NE 3.87Å; D214-R216 PolarHBondContact OD2-NE 3.06Å; D214-R216 IonicContact OD2-NH2 2.62Å; D214-R216 PolarHBondContact OD2-NH2 3.27Å
215	I	98.6	Very high	97.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115	177.1	-50.5	178.1	0	0	0	107.7	L192 I213 W218 F233 R243 M244 D245	L192-I215 HydrophobicContact CB-CG1 4.36Å; L192-I215 HydrophobicContact CD2-CG1 3.92Å; L192-I215 HydrophobicContact CG-CG1 4.02Å; I213-I215 HydrophobicContact CD1-CD1 4.15Å; I213-I215 HydrophobicContact CD1-CG1 4.41Å; I213-I215 HydrophobicContact CG1-CD1 4.36Å; I213-I215 HydrophobicContact CG1-CG1 4.11Å; I215-W218 HydrophobicContact CG2-CB 3.63Å; I215-W218 HydrophobicContact CG2-CD2 4.15Å; I215-W218 HydrophobicContact CG2-CE3 3.85Å; I215-W218 HydrophobicContact CG2-CG 4.11Å; I215-F233 HydrophobicContact CD1-CE1 3.72Å; I215-F233 HydrophobicContact CD1-CZ 3.9Å; I215-R243 PolarHBondContact N-O 2.95Å; I215-M244 HydrophobicContact CB-CG 4.23Å; I215-M244 HydrophobicContact CD1-CE 4.38Å; I215-M244 HydrophobicContact CD1-CG 4.42Å; I215-M244 VanDerWaalsContact O-CA 3.27Å; I215-M244 WeakPolarHBondContact O-CA 3.38Å; I215-D245 PolarHBondContact O-N 2.84Å
216	R	98.4	Very high	97.5	Very high	91 Å²	91	48.6 Å²	48.6	34%	0.343	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.5	-178.7	-71.1	-169.6	-82.5	160.4	-7.4	111	L194 D214 W218 D245	L194-R216 HydrophobicContact CD2-CB 3.93Å; D214-R216 IonicContact OD1-NE 3.92Å; D214-R216 IonicContact OD2-CZ 2.81Å; D214-R216 IonicContact OD2-NE 3.87Å; D214-R216 PolarHBondContact OD2-NE 3.06Å; D214-R216 IonicContact OD2-NH2 2.62Å; D214-R216 PolarHBondContact OD2-NH2 3.27Å; R216-W218 PolarHBondContact O-N 2.77Å; R216-W218 VanDerWaalsContact O-N 3.15Å; R216-D245 WeakPolarHBondContact CA-O 3.32Å; R216-D245 HydrophobicContact CG-CB 4.34Å
217	Q	98.1	Very high	97.7	Very high	76 Å²	76	45.6 Å²	45.6	36%	0.355	21%	0.212	S	C	.	.	S	Bend	trans	56	31.3	177.6	-59.6	172.3	-50	0	0	112.9	N195 R219 D245 Q246 S247	N195-Q217 WeakPolarHBondContact CA-O 3.39Å; N195-Q217 PolarHBondContact N-O 3.19Å; Q217-R219 PolarHBondContact O-N 3.03Å; Q217-D245 PolarHBondContact N-O 2.96Å; Q217-Q246 WeakPolarHBondContact CA-O 3.48Å; Q217-Q246 HydrophobicContact CG-CB 4.43Å; Q217-Q246 PolarHBondContact N-O 2.88Å; Q217-S247 PolarHBondContact N-OG 2.9Å
218	W	98.6	Very high	97.7	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.011	21%	0.213	C	C	.	.			trans	-76.8	118	178.9	179.4	24.3	0	0	0	110.4	L196 E197 I199 I215 R216 A220 V228 T232 F233 M244 S247 N248 L249	L196-W218 VanDerWaalsContact O-CD1 3.31Å; E197-W218 PolarHBondContact O-NE1 3.28Å; E197-W218 VanDerWaalsContact O-NE1 3.12Å; I199-W218 HydrophobicContact CB-CZ2 4.03Å; I199-W218 HydrophobicContact CD1-CD2 4.29Å; I199-W218 HydrophobicContact CD1-CE3 4.48Å; I199-W218 HydrophobicContact CD1-CH2 3.87Å; I199-W218 HydrophobicContact CD1-CZ2 3.67Å; I199-W218 HydrophobicContact CD1-CZ3 4.3Å; I199-W218 HydrophobicContact CG1-CH2 4.49Å; I199-W218 HydrophobicContact CG1-CZ2 3.86Å; I215-W218 HydrophobicContact CG2-CB 3.63Å; I215-W218 HydrophobicContact CG2-CD2 4.15Å; I215-W218 HydrophobicContact CG2-CE3 3.85Å; I215-W218 HydrophobicContact CG2-CG 4.11Å; R216-W218 PolarHBondContact O-N 2.77Å; R216-W218 VanDerWaalsContact O-N 3.15Å; W218-A220 VanDerWaalsContact C-N 3.29Å; W218-A220 HydrophobicContact CD2-CB 3.85Å; W218-A220 HydrophobicContact CE3-CB 4.45Å; W218-A220 HydrophobicContact CG-CB 4.27Å; W218-A220 HydrophobicContact CH2-CB 4.31Å; W218-A220 HydrophobicContact CZ2-CB 3.66Å; W218-A220 PolarHBondContact O-N 3.25Å; W218-V228 HydrophobicContact CH2-CB 4.21Å; W218-V228 HydrophobicContact CH2-CG1 3.84Å; W218-V228 HydrophobicContact CH2-CG2 3.72Å; W218-V228 HydrophobicContact CZ2-CG2 4.45Å; W218-V228 HydrophobicContact CZ3-CG1 4.34Å; W218-V228 HydrophobicContact CZ3-CG2 3.78Å; W218-T232 HydrophobicContact CH2-CG2 3.78Å; W218-T232 HydrophobicContact CZ2-CG2 4.39Å; W218-F233 HydrophobicContact CH2-CZ 4.29Å; W218-F233 HydrophobicContact CZ3-CE2 4.44Å; W218-F233 AromaticContact CZ3-CZ 3.94Å; W218-F233 HydrophobicContact CZ3-CZ 3.94Å; W218-M244 HydrophobicContact CE3-SD 4.39Å; W218-M244 HydrophobicContact CZ3-SD 4.24Å; W218-S247 PolarHBondContact N-OG 3.23Å; W218-S247 VanDerWaalsContact O-CB 3.26Å; W218-S247 WeakPolarHBondContact O-CB 3.47Å; W218-N248 CarbonylContact O-C 3.48Å; W218-N248 PolarHBondContact O-N 3.21Å; W218-L249 HydrophobicContact CB-CD2 4.35Å; W218-L249 HydrophobicContact CD2-CD2 3.76Å; W218-L249 HydrophobicContact CE3-CD2 3.35Å; W218-L249 HydrophobicContact CG-CD2 4.2Å; W218-L249 HydrophobicContact CZ3-CD2 3.93Å
219	R	98.4	Very high	97.8	Very high	104 Å²	104	44.5 Å²	44.5	39%	0.392	21%	0.205	S	C	.	.			trans	-92	48	-179.7	-60.1	175.7	62.2	179.2	-3.7	111.6	L196 E197 Q217 N221 D222 N248	L196-R219 PolarHBondContact O-N 3.23Å; E197-R219 HydrophobicContact CG-CB 4.35Å; Q217-R219 PolarHBondContact O-N 3.03Å; R219-N221 PolarHBondContact O-N 3.25Å; R219-D222 HydrophobicContact CB-CB 4.36Å; R219-D222 IonicContact CZ-OD2 2.64Å; R219-D222 IonicContact NE-OD2 3.26Å; R219-D222 PolarHBondContact NE-OD2 3.36Å; R219-D222 IonicContact NH2-OD2 3.45Å; R219-D222 PolarHBondContact NH2-OD2 2.87Å; R219-D222 WeakPolarHBondContact O-CB 3.36Å; R219-D222 PolarHBondContact O-N 2.63Å; R219-N248 CarbonylContact C-O 3.48Å
220	A	98.5	Very high	97.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-55.2	-29.9	-176.3	0	0	0	0	0	113.5	W218 D222 S223 G227 V228 N248 L249	W218-A220 VanDerWaalsContact C-N 3.29Å; W218-A220 HydrophobicContact CD2-CB 3.85Å; W218-A220 HydrophobicContact CE3-CB 4.45Å; W218-A220 HydrophobicContact CG-CB 4.27Å; W218-A220 HydrophobicContact CH2-CB 4.31Å; W218-A220 HydrophobicContact CZ2-CB 3.66Å; W218-A220 PolarHBondContact O-N 3.25Å; A220-D222 PolarHBondContact O-N 2.9Å; A220-S223 VanDerWaalsContact O-CB 3.29Å; A220-S223 WeakPolarHBondContact O-CB 3.28Å; A220-S223 PolarHBondContact O-N 2.95Å; A220-S223 VanDerWaalsContact O-N 3.13Å; A220-S223 PolarHBondContact O-OG 3.26Å; A220-G227 VanDerWaalsContact O-CA 3.3Å; A220-G227 WeakPolarHBondContact O-CA 3.4Å; A220-G227 PolarHBondContact O-N 2.95Å; A220-V228 HydrophobicContact CB-CG2 4.18Å; A220-N248 PolarHBondContact N-O 2.92Å; A220-N248 VanDerWaalsContact N-O 3.07Å; A220-L249 HydrophobicContact CB-CD2 3.87Å
221	N	97.8	Very high	97.5	Very high	67 Å²	67	44.3 Å²	44.3	36%	0.358	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-62.9	-24.3	175.9	-170.8	72.5	0	0	0	113.7	R219 S223 N248 G250	R219-N221 PolarHBondContact O-N 3.25Å; N221-S223 VanDerWaalsContact C-N 3.35Å; N221-N248 WeakPolarHBondContact CB-O 3.32Å; N221-N248 PolarHBondContact N-O 3.44Å; N221-G250 WeakPolarHBondContact OD1-CA 3.35Å
222	D	98	Very high	97.4	Very high	68 Å²	68	40 Å²	40	36%	0.364	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-91.4	-3.3	179.8	-54.9	-18.5	0	0	0	111.8	R219 A220	R219-D222 HydrophobicContact CB-CB 4.36Å; R219-D222 IonicContact CZ-OD2 2.64Å; R219-D222 IonicContact NE-OD2 3.26Å; R219-D222 PolarHBondContact NE-OD2 3.36Å; R219-D222 IonicContact NH2-OD2 3.45Å; R219-D222 PolarHBondContact NH2-OD2 2.87Å; R219-D222 WeakPolarHBondContact O-CB 3.36Å; R219-D222 PolarHBondContact O-N 2.63Å; A220-D222 PolarHBondContact O-N 2.9Å
223	S	97.8	Very high	97.3	Very high	12 Å²	12	38.8 Å²	38.8	8%	0.084	18%	0.183	C	C	.	.	S	Bend	trans	-69.4	163.9	173.4	71.8	0	0	0	0	111.9	T198 A220 N221 W225 G226 G227	T198-S223 WeakPolarHBondContact OG1-CB 3.42Å; A220-S223 VanDerWaalsContact O-CB 3.29Å; A220-S223 WeakPolarHBondContact O-CB 3.28Å; A220-S223 PolarHBondContact O-N 2.95Å; A220-S223 VanDerWaalsContact O-N 3.13Å; A220-S223 PolarHBondContact O-OG 3.26Å; N221-S223 VanDerWaalsContact C-N 3.35Å; S223-W225 PolarHBondContact O-N 2.86Å; S223-W225 PolarHBondContact OG-N 3.37Å; S223-G226 PolarHBondContact O-N 3.26Å; S223-G227 PolarHBondContact OG-O 3.09Å
224	E	96.7	Very high	97	Very high	98 Å²	98	42.3 Å²	42.3	46%	0.458	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.5	173	63.7	-94.2	-137.9	0	0	113.9	R175 T198	R175-E224 IonicContact CZ-OE1 3.65Å; R175-E224 VanDerWaalsContact CZ-OE1 3.26Å; R175-E224 IonicContact NH1-OE1 2.91Å; R175-E224 PolarHBondContact NH1-OE1 3.48Å; R175-E224 IonicContact NH1-OE2 3.71Å; R175-E224 PolarHBondContact NH1-OE2 3.46Å; R175-E224 IonicContact NH2-OE1 3.49Å; R175-E224 PolarHBondContact NH2-OE1 3.25Å; T198-E224 WeakPolarHBondContact CG2-OE2 3.26Å; T198-E224 PolarHBondContact OG1-OE2 3.02Å
225	W	94.9	Very high	96.6	Very high	103 Å²	103	42.2 Å²	42.2	39%	0.39	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-13.9	179.2	-39.6	115.3	0	0	0	113.2	P201 S223 A229 H253	P201-W225 HydrophobicContact CG-CZ2 4.49Å; S223-W225 PolarHBondContact O-N 2.86Å; S223-W225 PolarHBondContact OG-N 3.37Å; W225-A229 HydrophobicContact CB-CB 3.94Å; W225-A229 HydrophobicContact CD2-CB 4.13Å; W225-A229 HydrophobicContact CG-CB 3.62Å; W225-H253 PolarHBondContact O-CE1 3.25Å; W225-H253 PolarHBondContact O-NE2 2.88Å
226	G	96.2	Very high	96.4	Very high	31 Å²	31	42.2 Å²	42.2	32%	0.32	20%	0.198	S	C	.	.	S	Bend	trans	59.8	46.5	-172.2	0	0	0	0	0	112.3	S223 H253	S223-G226 PolarHBondContact O-N 3.26Å; G226-H253 PolarHBondContact O-NE2 3.3Å
227	G	97.3	Very high	96.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.5	-157.3	175.7	0	0	0	0	0	114.4	A220 S223 A229 L249 T251	A220-G227 VanDerWaalsContact O-CA 3.3Å; A220-G227 WeakPolarHBondContact O-CA 3.4Å; A220-G227 PolarHBondContact O-N 2.95Å; S223-G227 PolarHBondContact OG-O 3.09Å; G227-A229 PolarHBondContact O-N 3.15Å; G227-L249 WeakPolarHBondContact CA-O 3.26Å; G227-T251 CarbonylContact C-O 3.59Å; G227-T251 VanDerWaalsContact CA-O 3.28Å; G227-T251 WeakPolarHBondContact CA-O 3.38Å
228	V	97.8	Very high	96	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.9	178.4	-177.1	0	0	0	0	109.4	W218 A220 T232 F233 L249 T251 I252 H253 A256	W218-V228 HydrophobicContact CH2-CB 4.21Å; W218-V228 HydrophobicContact CH2-CG1 3.84Å; W218-V228 HydrophobicContact CH2-CG2 3.72Å; W218-V228 HydrophobicContact CZ2-CG2 4.45Å; W218-V228 HydrophobicContact CZ3-CG1 4.34Å; W218-V228 HydrophobicContact CZ3-CG2 3.78Å; A220-V228 HydrophobicContact CB-CG2 4.18Å; V228-T232 HydrophobicContact CG1-CG2 4.23Å; V228-F233 HydrophobicContact CG1-CE2 4.1Å; V228-L249 HydrophobicContact CG2-CB 4.17Å; V228-L249 HydrophobicContact CG2-CD1 4.3Å; V228-L249 HydrophobicContact CG2-CD2 4.04Å; V228-L249 HydrophobicContact CG2-CG 4.39Å; V228-T251 PolarHBondContact N-O 2.94Å; V228-I252 HydrophobicContact CB-CG2 4.12Å; V228-I252 HydrophobicContact CG1-CG2 4.39Å; V228-I252 HydrophobicContact CG2-CG1 4.3Å; V228-H253 WeakPolarHBondContact O-CB 3.13Å; V228-H253 PolarHBondContact O-N 3.09Å; V228-A256 HydrophobicContact CB-CB 4.49Å; V228-A256 HydrophobicContact CG1-CB 3.7Å
229	A	96.4	Very high	95.9	Very high	6 Å²	6	41.6 Å²	41.6	5%	0.05	20%	0.198	C	C	.	.			trans	-71.5	161.3	-174.2	0	0	0	0	0	113.9	P201 W225 G227 T232 A256	P201-A229 HydrophobicContact CG-CB 4.41Å; W225-A229 HydrophobicContact CB-CB 3.94Å; W225-A229 HydrophobicContact CD2-CB 4.13Å; W225-A229 HydrophobicContact CG-CB 3.62Å; G227-A229 PolarHBondContact O-N 3.15Å; A229-T232 PolarHBondContact N-OG1 2.93Å; A229-T232 WeakPolarHBondContact O-CB 3.49Å; A229-T232 PolarHBondContact O-N 3.08Å; A229-T232 PolarHBondContact O-OG1 3.01Å; A229-A256 WeakPolarHBondContact O-CA 3.26Å
230	K	95	Very high	95.8	Very high	99 Å²	99	37.7 Å²	37.7	43%	0.43	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.7	170.4	-173	178	-172.4	-170.5	0	110.6	T232 S254	K230-T232 PolarHBondContact O-N 3.36Å; K230-S254 WeakPolarHBondContact CB-O 3.27Å; K230-S254 VanDerWaalsContact CG-O 3.3Å; K230-S254 WeakPolarHBondContact CG-O 3.25Å
231	H	95.4	Very high	95.7	Very high	40 Å²	40	38.7 Å²	38.7	19%	0.185	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	18.1	-178.1	-45.2	142.9	0	0	0	115.1	P201 N202 F233 R234 G255 D258	P201-H231 HydrophobicContact CB-CB 4.32Å; N202-H231 PolarHBondContact N-O 3.07Å; H231-F233 VanDerWaalsContact C-N 3.28Å; H231-F233 PolarHBondContact O-N 3.12Å; H231-R234 HydrophobicContact CB-CB 3.74Å; H231-R234 HydrophobicContact CB-CG 4.48Å; H231-R234 WeakPolarHBondContact O-CB 3.48Å; H231-R234 PolarHBondContact O-N 2.8Å; H231-G255 PolarHBondContact N-O 2.82Å; H231-D258 IonicContact CD2-OD2 2.78Å; H231-D258 IonicContact NE2-OD2 3.12Å
232	T	96.7	Very high	95.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-50.8	174.3	-63	0	0	0	0	109.8	I199 F204 W218 V228 A229 K230 A256	I199-T232 HydrophobicContact CB-CG2 4.03Å; I199-T232 HydrophobicContact CD1-CG2 4.44Å; I199-T232 HydrophobicContact CG2-CG2 3.74Å; F204-T232 WeakPolarHBondContact CD2-O 3.44Å; W218-T232 HydrophobicContact CH2-CG2 3.78Å; W218-T232 HydrophobicContact CZ2-CG2 4.39Å; V228-T232 HydrophobicContact CG1-CG2 4.23Å; A229-T232 PolarHBondContact N-OG1 2.93Å; A229-T232 WeakPolarHBondContact O-CB 3.49Å; A229-T232 PolarHBondContact O-N 3.08Å; A229-T232 PolarHBondContact O-OG1 3.01Å; K230-T232 PolarHBondContact O-N 3.36Å; T232-A256 PolarHBondContact N-O 3.49Å
233	F	95.6	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	12.4	-176.9	-62.2	-66.6	0	0	0	114.4	F204 I215 W218 V228 H231 G235 M236 M244 A256 F257 L260	F204-F233 AromaticContact CD2-CD1 3.96Å; F204-F233 HydrophobicContact CD2-CD1 3.96Å; F204-F233 AromaticContact CE2-CD1 3.67Å; F204-F233 HydrophobicContact CE2-CD1 3.67Å; F204-F233 AromaticContact CE2-CE1 3.82Å; F204-F233 HydrophobicContact CE2-CE1 3.82Å; F204-F233 HydrophobicContact CZ-CE1 4.4Å; I215-F233 HydrophobicContact CD1-CE1 3.72Å; I215-F233 HydrophobicContact CD1-CZ 3.9Å; W218-F233 HydrophobicContact CH2-CZ 4.29Å; W218-F233 HydrophobicContact CZ3-CE2 4.44Å; W218-F233 AromaticContact CZ3-CZ 3.94Å; W218-F233 HydrophobicContact CZ3-CZ 3.94Å; V228-F233 HydrophobicContact CG1-CE2 4.1Å; H231-F233 VanDerWaalsContact C-N 3.28Å; H231-F233 PolarHBondContact O-N 3.12Å; F233-G235 PolarHBondContact O-N 3.4Å; F233-M236 HydrophobicContact CB-CE 3.73Å; F233-M236 HydrophobicContact CD1-CE 3.36Å; F233-M236 HydrophobicContact CE1-CE 4.35Å; F233-M236 HydrophobicContact CG-CE 3.95Å; F233-M236 PolarHBondContact O-N 2.91Å; F233-M244 HydrophobicContact CE1-CE 4.16Å; F233-M244 HydrophobicContact CE2-CE 3.51Å; F233-M244 HydrophobicContact CZ-CE 3.22Å; F233-M244 HydrophobicContact CZ-SD 4.49Å; F233-A256 PolarHBondContact N-O 3.33Å; F233-A256 VanDerWaalsContact N-O 3.09Å; F233-F257 HydrophobicContact CB-CD1 4.42Å; F233-F257 AromaticContact CD2-CD1 3.58Å; F233-F257 HydrophobicContact CD2-CD1 3.58Å; F233-F257 AromaticContact CD2-CE1 3.48Å; F233-F257 HydrophobicContact CD2-CE1 3.48Å; F233-F257 VanDerWaalsContact CD2-CE1 3.48Å; F233-F257 HydrophobicContact CD2-CG 4.17Å; F233-F257 HydrophobicContact CD2-CZ 4.01Å; F233-F257 HydrophobicContact CE2-CD1 4.2Å; F233-F257 AromaticContact CE2-CE1 3.62Å; F233-F257 HydrophobicContact CE2-CE1 3.62Å; F233-F257 AromaticContact CE2-CZ 3.82Å; F233-F257 HydrophobicContact CE2-CZ 3.82Å; F233-F257 HydrophobicContact CG-CD1 4.2Å; F233-F257 HydrophobicContact CG-CE1 4.3Å; F233-L260 HydrophobicContact CB-CD1 4.15Å; F233-L260 HydrophobicContact CB-CD2 4.17Å; F233-L260 HydrophobicContact CB-CG 4.37Å; F233-L260 VanDerWaalsContact O-CD2 3.28Å; F233-L260 WeakPolarHBondContact O-CD2 3.25Å
234	R	93.2	Very high	95.8	Very high	74 Å²	74	36.2 Å²	36.2	28%	0.279	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	135.5	-176.7	179.7	172.1	172.5	-151.8	1.8	111.2	N202 F204 H205 H231 Q259	N202-R234 WeakPolarHBondContact OD1-CD 3.37Å; N202-R234 PolarHBondContact OD1-NH1 3.08Å; F204-R234 CarbonylContact C-O 2.93Å; H205-R234 PolarHBondContact N-O 3.44Å; H231-R234 HydrophobicContact CB-CB 3.74Å; H231-R234 HydrophobicContact CB-CG 4.48Å; H231-R234 WeakPolarHBondContact O-CB 3.48Å; H231-R234 PolarHBondContact O-N 2.8Å; R234-Q259 HydrophobicContact CG-CB 4.32Å; R234-Q259 HydrophobicContact CG-CG 4.48Å; R234-Q259 VanDerWaalsContact NE-CD 3.35Å
235	G	90.1	Very high	95.8	Very high	10 Å²	10	32.3 Å²	32.3	10%	0.103	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	-19.8	178.7	0	0	0	0	0	114.1	F233 K237	F233-G235 PolarHBondContact O-N 3.4Å; G235-K237 VanDerWaalsContact C-N 3.27Å; G235-K237 PolarHBondContact O-N 2.87Å
236	M	93.9	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.			trans	-78.3	73.6	173.9	-62.6	-169.5	-53.7	0	0	112.1	F204 L207 V210 I213 F233 H238 V239 I242 L260	F204-M236 HydrophobicContact CB-CG 3.56Å; F204-M236 HydrophobicContact CB-SD 3.93Å; F204-M236 HydrophobicContact CD1-SD 4.08Å; F204-M236 HydrophobicContact CD2-CE 4.31Å; F204-M236 HydrophobicContact CD2-SD 4.33Å; F204-M236 HydrophobicContact CG-CE 4.43Å; F204-M236 HydrophobicContact CG-CG 4.19Å; F204-M236 HydrophobicContact CG-SD 3.87Å; L207-M236 HydrophobicContact CB-CG 4.15Å; L207-M236 HydrophobicContact CD2-CG 4.27Å; L207-M236 HydrophobicContact CD2-SD 4.15Å; L207-M236 HydrophobicContact CG-CG 4.33Å; L207-M236 VanDerWaalsContact O-CA 3.28Å; L207-M236 WeakPolarHBondContact O-CA 3.16Å; V210-M236 HydrophobicContact CG2-CG 4.32Å; V210-M236 HydrophobicContact CG2-SD 3.96Å; I213-M236 HydrophobicContact CD1-CE 4.34Å; I213-M236 HydrophobicContact CD1-SD 4.09Å; F233-M236 HydrophobicContact CB-CE 3.73Å; F233-M236 HydrophobicContact CD1-CE 3.36Å; F233-M236 HydrophobicContact CE1-CE 4.35Å; F233-M236 HydrophobicContact CG-CE 3.95Å; F233-M236 PolarHBondContact O-N 2.91Å; M236-H238 VanDerWaalsContact C-N 3.32Å; M236-H238 PolarHBondContact O-N 3.06Å; M236-V239 HydrophobicContact CB-CG2 3.75Å; M236-V239 HydrophobicContact CE-CG2 4.4Å; M236-V239 HydrophobicContact SD-CG2 4.47Å; M236-I242 HydrophobicContact CE-CD1 4.41Å; M236-L260 HydrophobicContact CB-CD2 3.6Å; M236-L260 HydrophobicContact CE-CD2 4.18Å; M236-L260 WeakPolarHBondContact O-CD2 3.36Å
237	K	93.1	Very high	96	Very high	91 Å²	91	31.6 Å²	31.6	40%	0.396	15%	0.148	S	C	.	.			trans	-57	-42.6	-172.3	-63.6	-177.2	166.6	-132.6	0	113.5	S208 G235 E261 T262	S208-K237 PolarHBondContact O-N 3.24Å; G235-K237 VanDerWaalsContact C-N 3.27Å; G235-K237 PolarHBondContact O-N 2.87Å; K237-E261 HydrophobicContact CB-CB 4.43Å; K237-E261 HydrophobicContact CB-CG 4.19Å; K237-E261 WeakPolarHBondContact CD-OE1 3.3Å; K237-E261 WeakPolarHBondContact CE-OE1 3.36Å; K237-E261 HydrophobicContact CG-CG 4.34Å; K237-E261 IonicContact NZ-OE1 2.59Å; K237-E261 PolarHBondContact NZ-OE1 3.12Å; K237-E261 CarbonylContact O-C 2.92Å; K237-E261 WeakPolarHBondContact O-CA 3.3Å; K237-E261 WeakPolarHBondContact O-CB 3.3Å; K237-E261 PolarHBondContact O-N 2.86Å; K237-T262 PolarHBondContact O-N 3.47Å
238	H	94.2	Very high	96.1	Very high	62 Å²	62	33.2 Å²	33.2	29%	0.287	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.3	-177.8	-52.1	-66.3	0	0	0	111	S208 R209 V210 M236 E261 T262	S208-H238 PolarHBondContact O-N 3.05Å; R209-H238 WeakPolarHBondContact CA-O 3.46Å; R209-H238 HydrophobicContact CG-CB 4.25Å; V210-H238 PolarHBondContact N-O 3.17Å; M236-H238 VanDerWaalsContact C-N 3.32Å; M236-H238 PolarHBondContact O-N 3.06Å; H238-E261 IonicContact CE1-OE2 3.54Å; H238-T262 WeakPolarHBondContact CA-OG1 3.43Å; H238-T262 WeakPolarHBondContact CB-OG1 3.45Å; H238-T262 PolarHBondContact ND1-OG1 2.85Å
239	V	96.4	Very high	96.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.9	178.3	-171.8	0	0	0	0	111.3	V210 I213 M236 I242 T262 V263 E264	V210-V239 HydrophobicContact CB-CG1 4.35Å; V210-V239 HydrophobicContact CB-CG2 4.33Å; V210-V239 CarbonylContact O-C 3.57Å; V210-V239 WeakPolarHBondContact O-CA 3.47Å; V210-V239 WeakPolarHBondContact O-CG1 3.21Å; I213-V239 HydrophobicContact CG2-CG1 4.35Å; M236-V239 HydrophobicContact CB-CG2 3.75Å; M236-V239 HydrophobicContact CE-CG2 4.4Å; M236-V239 HydrophobicContact SD-CG2 4.47Å; V239-I242 HydrophobicContact CB-CG1 4.32Å; V239-I242 HydrophobicContact CG1-CD1 4.35Å; V239-I242 HydrophobicContact CG1-CG1 3.6Å; V239-T262 PolarHBondContact N-O 3.29Å; V239-V263 HydrophobicContact CB-CG2 4.25Å; V239-V263 CarbonylContact O-C 3.01Å; V239-V263 WeakPolarHBondContact O-CA 3.27Å; V239-E264 PolarHBondContact O-N 2.9Å; V239-E264 VanDerWaalsContact O-N 3.1Å
240	S	96.5	Very high	96.1	Very high	21 Å²	21	33 Å²	33	15%	0.147	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-54.3	171.6	-60.6	0	0	0	0	109.7	V210 H211 E264 T265	V210-S240 PolarHBondContact O-N 2.94Å; V210-S240 VanDerWaalsContact O-N 3.11Å; H211-S240 WeakPolarHBondContact ND1-CB 3.16Å; H211-S240 PolarHBondContact ND1-OG 3.05Å; H211-S240 VanDerWaalsContact ND1-OG 3.09Å; H211-S240 CarbonylContact O-C 3.54Å; H211-S240 WeakPolarHBondContact O-CA 3.32Å; H211-S240 WeakPolarHBondContact O-CB 3.44Å; H211-S240 PolarHBondContact O-N 2.87Å; S240-E264 VanDerWaalsContact CB-CD 3.5Å; S240-E264 VanDerWaalsContact CB-OE1 3.3Å; S240-E264 WeakPolarHBondContact CB-OE1 3.48Å; S240-E264 CarbonylContact O-C 3.59Å; S240-E264 WeakPolarHBondContact O-CA 3.15Å; S240-E264 WeakPolarHBondContact O-CB 3.19Å; S240-E264 PolarHBondContact O-N 2.95Å; S240-E264 PolarHBondContact OG-OE1 3.46Å; S240-T265 PolarHBondContact O-N 3.02Å
241	S	97.3	Very high	96.1	Very high	23 Å²	23	29.6 Å²	29.6	16%	0.161	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	126.6	-178.5	179.7	0	0	0	0	114.3	H211 F212 I213 T265	H211-S241 PolarHBondContact O-N 2.81Å; F212-S241 WeakPolarHBondContact CA-O 3.29Å; I213-S241 PolarHBondContact N-O 2.79Å; S241-T265 CarbonylContact C-O 3.59Å; S241-T265 VanDerWaalsContact CA-O 3.3Å; S241-T265 WeakPolarHBondContact CA-O 3.41Å
242	I	97.7	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.6	166.7	-54.7	-178.1	0	0	0	108	I213 M236 V239 M244 F257 L260 V263 T265 V266 Q267	I213-I242 HydrophobicContact CG2-CB 3.86Å; I213-I242 HydrophobicContact CG2-CG1 3.63Å; I213-I242 HydrophobicContact CG2-CG2 3.89Å; M236-I242 HydrophobicContact CE-CD1 4.41Å; V239-I242 HydrophobicContact CB-CG1 4.32Å; V239-I242 HydrophobicContact CG1-CD1 4.35Å; V239-I242 HydrophobicContact CG1-CG1 3.6Å; I242-M244 HydrophobicContact CG2-CE 3.59Å; I242-M244 HydrophobicContact CG2-CG 4.45Å; I242-F257 HydrophobicContact CD1-CD1 4.47Å; I242-F257 HydrophobicContact CD1-CE1 4.34Å; I242-L260 HydrophobicContact CD1-CD1 3.88Å; I242-V263 HydrophobicContact CD1-CG2 4.37Å; I242-V263 HydrophobicContact CG1-CG2 4.31Å; I242-T265 PolarHBondContact N-O 3.23Å; I242-V266 HydrophobicContact CB-CG2 4.38Å; I242-V266 HydrophobicContact CD1-CG2 4.3Å; I242-Q267 PolarHBondContact O-N 2.92Å
243	R	98.4	Very high	96	Very high	94 Å²	94	29.9 Å²	29.9	36%	0.355	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.3	174.7	-176.4	179.4	-66.9	146.1	7.2	110.4	F212 I213 I215	F212-R243 HydrophobicContact CE2-CB 3.85Å; F212-R243 HydrophobicContact CZ-CB 4.15Å; I213-R243 PolarHBondContact O-N 3.29Å; I215-R243 PolarHBondContact N-O 2.95Å
244	M	98.3	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.2	168.9	-54.6	-178.2	-159.3	0	0	108.9	I215 W218 F233 I242 L249 F257 Q267 I268 R269 C271	I215-M244 HydrophobicContact CB-CG 4.23Å; I215-M244 HydrophobicContact CD1-CE 4.38Å; I215-M244 HydrophobicContact CD1-CG 4.42Å; I215-M244 VanDerWaalsContact O-CA 3.27Å; I215-M244 WeakPolarHBondContact O-CA 3.38Å; W218-M244 HydrophobicContact CE3-SD 4.39Å; W218-M244 HydrophobicContact CZ3-SD 4.24Å; F233-M244 HydrophobicContact CE1-CE 4.16Å; F233-M244 HydrophobicContact CE2-CE 3.51Å; F233-M244 HydrophobicContact CZ-CE 3.22Å; F233-M244 HydrophobicContact CZ-SD 4.49Å; I242-M244 HydrophobicContact CG2-CE 3.59Å; I242-M244 HydrophobicContact CG2-CG 4.45Å; M244-L249 HydrophobicContact SD-CD1 3.79Å; M244-F257 HydrophobicContact CE-CE1 3.98Å; M244-F257 HydrophobicContact CE-CZ 3.85Å; M244-Q267 PolarHBondContact N-O 2.96Å; M244-I268 HydrophobicContact CB-CG1 4.48Å; M244-I268 HydrophobicContact SD-CD1 4.37Å; M244-I268 HydrophobicContact SD-CG1 4.26Å; M244-R269 PolarHBondContact O-N 3.01Å; M244-C271 VanDerWaalsContact C-SG 3.55Å; M244-C271 PolarHBondContact O-SG 2.98Å; M244-C271 VanDerWaalsContact O-SG 3.39Å
245	D	97.1	Very high	95.7	Very high	15 Å²	15	27 Å²	27	8%	0.08	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.5	178.9	-153.2	-20	0	0	0	112.5	I215 R216 Q217 S247 R269 N270	I215-D245 PolarHBondContact O-N 2.84Å; R216-D245 WeakPolarHBondContact CA-O 3.32Å; R216-D245 HydrophobicContact CG-CB 4.34Å; Q217-D245 PolarHBondContact N-O 2.96Å; D245-S247 PolarHBondContact O-N 2.94Å; D245-S247 VanDerWaalsContact O-N 3.12Å; D245-S247 PolarHBondContact O-OG 3.08Å; D245-R269 VanDerWaalsContact CA-O 3.26Å; D245-R269 WeakPolarHBondContact CA-O 3.35Å; D245-R269 IonicContact OD1-NE 2.72Å; D245-R269 IonicContact OD2-CZ 2.96Å; D245-R269 VanDerWaalsContact OD2-CZ 3.24Å; D245-R269 IonicContact OD2-NE 3.69Å; D245-R269 PolarHBondContact OD2-NE 2.87Å; D245-R269 VanDerWaalsContact OD2-NE 3.09Å; D245-R269 IonicContact OD2-NH2 3.26Å; D245-R269 PolarHBondContact OD2-NH2 3.41Å; D245-N270 PolarHBondContact OD1-ND2 2.86Å
246	Q	97.7	Very high	96	Very high	113 Å²	113	26.6 Å²	26.6	53%	0.528	13%	0.131	S	C	.	.	S	Bend	trans	48.5	40.8	174.7	-57.3	-55	-50.2	0	0	113.7	Q217 R269 N270	Q217-Q246 WeakPolarHBondContact CA-O 3.48Å; Q217-Q246 HydrophobicContact CG-CB 4.43Å; Q217-Q246 PolarHBondContact N-O 2.88Å; Q246-R269 PolarHBondContact N-O 2.92Å; Q246-N270 CarbonylContact C-O 3.58Å; Q246-N270 VanDerWaalsContact CA-O 3.26Å; Q246-N270 WeakPolarHBondContact CA-O 3.3Å; Q246-N270 PolarHBondContact N-O 2.97Å; Q246-N270 VanDerWaalsContact NE2-CB 3.31Å; Q246-N270 VanDerWaalsContact NE2-CG 3.34Å; Q246-N270 PolarHBondContact NE2-ND2 2.86Å
247	S	98.4	Very high	95.9	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.042	13%	0.131	C	C	.	.			trans	-110.8	170.4	-171.4	-64.8	0	0	0	0	112	Q217 W218 D245 N270 C271	Q217-S247 PolarHBondContact N-OG 2.9Å; W218-S247 PolarHBondContact N-OG 3.23Å; W218-S247 VanDerWaalsContact O-CB 3.26Å; W218-S247 WeakPolarHBondContact O-CB 3.47Å; D245-S247 PolarHBondContact O-N 2.94Å; D245-S247 VanDerWaalsContact O-N 3.12Å; D245-S247 PolarHBondContact O-OG 3.08Å; S247-N270 PolarHBondContact N-O 3.11Å; S247-C271 CarbonylContact C-O 3.27Å; S247-C271 CarbonylContact O-C 3.51Å; S247-C271 WeakPolarHBondContact O-CA 3.44Å; S247-C271 VanDerWaalsContact O-O 3.1Å
248	N	98.1	Very high	95.6	Very high	35 Å²	35	24 Å²	24	19%	0.187	12%	0.121	C	C	.	.			trans	-123.4	82.6	171.5	-175.6	25.5	0	0	0	109.4	W218 R219 A220 N221	W218-N248 CarbonylContact O-C 3.48Å; W218-N248 PolarHBondContact O-N 3.21Å; R219-N248 CarbonylContact C-O 3.48Å; A220-N248 PolarHBondContact N-O 2.92Å; A220-N248 VanDerWaalsContact N-O 3.07Å; N221-N248 WeakPolarHBondContact CB-O 3.32Å; N221-N248 PolarHBondContact N-O 3.44Å
249	L	98.2	Very high	95.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.			trans	-85.2	-22.7	-173	-59.8	-174.7	0	0	0	113.6	W218 A220 G227 V228 M244 T251 I268 C271 V273	W218-L249 HydrophobicContact CB-CD2 4.35Å; W218-L249 HydrophobicContact CD2-CD2 3.76Å; W218-L249 HydrophobicContact CE3-CD2 3.35Å; W218-L249 HydrophobicContact CG-CD2 4.2Å; W218-L249 HydrophobicContact CZ3-CD2 3.93Å; A220-L249 HydrophobicContact CB-CD2 3.87Å; G227-L249 WeakPolarHBondContact CA-O 3.26Å; V228-L249 HydrophobicContact CG2-CB 4.17Å; V228-L249 HydrophobicContact CG2-CD1 4.3Å; V228-L249 HydrophobicContact CG2-CD2 4.04Å; V228-L249 HydrophobicContact CG2-CG 4.39Å; M244-L249 HydrophobicContact SD-CD1 3.79Å; L249-T251 PolarHBondContact O-N 3.25Å; L249-I268 HydrophobicContact CD1-CG2 4Å; L249-C271 HydrophobicContact CD1-CB 3.71Å; L249-C271 HydrophobicContact CG-CB 3.86Å; L249-C271 PolarHBondContact N-O 2.83Å; L249-V273 HydrophobicContact CB-CG2 4.08Å; L249-V273 HydrophobicContact CD1-CG2 4.04Å
250	G	96.2	Very high	94.7	Very high	4 Å²	4	24.9 Å²	24.9	4%	0.041	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.1	-107.8	-177.9	0	0	0	0	0	111.7	N221 V273 A274 S275	N221-G250 WeakPolarHBondContact OD1-CA 3.35Å; G250-V273 CarbonylContact O-C 3.28Å; G250-V273 WeakPolarHBondContact O-CA 3.28Å; G250-A274 PolarHBondContact O-N 3.23Å; G250-S275 PolarHBondContact O-N 3.4Å
251	T	95.6	Very high	94.2	Very high	27 Å²	27	26.9 Å²	26.9	17%	0.166	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.8	176.6	-61.2	0	0	0	0	111.2	G227 V228 L249 H253 S275 R277	G227-T251 CarbonylContact C-O 3.59Å; G227-T251 VanDerWaalsContact CA-O 3.28Å; G227-T251 WeakPolarHBondContact CA-O 3.38Å; V228-T251 PolarHBondContact N-O 2.94Å; L249-T251 PolarHBondContact O-N 3.25Å; T251-H253 PolarHBondContact O-CD2 3.47Å; T251-S275 WeakPolarHBondContact CA-O 2.89Å; T251-S275 VanDerWaalsContact CG2-OG 3.3Å; T251-S275 WeakPolarHBondContact CG2-OG 3.4Å; T251-S275 PolarHBondContact OG1-OG 3.36Å; T251-S275 VanDerWaalsContact OG1-OG 3.08Å; T251-R277 HydrophobicContact CG2-CG 4.06Å
252	I	96.1	Very high	93.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	108.9	164.5	-50.7	-179.7	0	0	0	108	V228 A256 F257 I268 V273 S275 R277 A279	V228-I252 HydrophobicContact CB-CG2 4.12Å; V228-I252 HydrophobicContact CG1-CG2 4.39Å; V228-I252 HydrophobicContact CG2-CG1 4.3Å; I252-A256 HydrophobicContact CG2-CB 3.81Å; I252-F257 HydrophobicContact CG2-CD2 4.46Å; I252-F257 HydrophobicContact CG2-CE2 3.86Å; I252-I268 HydrophobicContact CD1-CD1 3.8Å; I252-V273 HydrophobicContact CD1-CG1 4.06Å; I252-V273 HydrophobicContact CD1-CG2 4.07Å; I252-V273 HydrophobicContact CG1-CG1 4.05Å; I252-V273 HydrophobicContact CG1-CG2 4.43Å; I252-S275 PolarHBondContact N-O 3.44Å; I252-R277 WeakPolarHBondContact O-CB 3.33Å; I252-R277 PolarHBondContact O-N 2.95Å; I252-A279 HydrophobicContact CB-CB 4.12Å; I252-A279 HydrophobicContact CG2-CB 3.36Å
253	H	94.6	Very high	93.5	Very high	46 Å²	46	28.1 Å²	28.1	21%	0.213	14%	0.139	C	C	.	.			trans	-76.8	162.8	-172	-68.3	-143.3	0	0	0	111.8	W225 G226 V228 T251 G255 A256 A279	W225-H253 PolarHBondContact O-CE1 3.25Å; W225-H253 PolarHBondContact O-NE2 2.88Å; G226-H253 PolarHBondContact O-NE2 3.3Å; V228-H253 WeakPolarHBondContact O-CB 3.13Å; V228-H253 PolarHBondContact O-N 3.09Å; T251-H253 PolarHBondContact O-CD2 3.47Å; H253-G255 PolarHBondContact O-N 3.36Å; H253-A256 WeakPolarHBondContact O-CB 3.25Å; H253-A256 PolarHBondContact O-N 2.87Å; H253-A279 VanDerWaalsContact O-CA 3.32Å; H253-A279 WeakPolarHBondContact O-CA 3.37Å; H253-A279 WeakPolarHBondContact O-CB 3.33Å
254	S	91.5	Very high	93.2	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.091	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133.4	-179.7	-55.8	0	0	0	0	111.5	K230 A256 R277 N278	K230-S254 WeakPolarHBondContact CB-O 3.27Å; K230-S254 VanDerWaalsContact CG-O 3.3Å; K230-S254 WeakPolarHBondContact CG-O 3.25Å; S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 2.72Å; S254-R277 WeakPolarHBondContact OG-CB 3.5Å; S254-N278 WeakPolarHBondContact CA-O 3.36Å; S254-N278 PolarHBondContact OG-N 3.49Å
255	G	91.3	Very high	93	Very high	2 Å²	2	31 Å²	31	2%	0.021	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	21.2	-178.4	0	0	0	0	0	115.1	H231 H253 F257 D258 N278	H231-G255 PolarHBondContact N-O 2.82Å; H253-G255 PolarHBondContact O-N 3.36Å; G255-F257 PolarHBondContact O-N 3.33Å; G255-D258 VanDerWaalsContact O-CB 3.32Å; G255-D258 WeakPolarHBondContact O-CB 3.2Å; G255-D258 PolarHBondContact O-N 2.87Å; G255-N278 PolarHBondContact N-O 3.35Å
256	A	94.7	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.1	172.5	0	0	0	0	0	112.9	V228 A229 T232 F233 I252 H253 S254 A279	V228-A256 HydrophobicContact CB-CB 4.49Å; V228-A256 HydrophobicContact CG1-CB 3.7Å; A229-A256 WeakPolarHBondContact O-CA 3.26Å; T232-A256 PolarHBondContact N-O 3.49Å; F233-A256 PolarHBondContact N-O 3.33Å; F233-A256 VanDerWaalsContact N-O 3.09Å; I252-A256 HydrophobicContact CG2-CB 3.81Å; H253-A256 WeakPolarHBondContact O-CB 3.25Å; H253-A256 PolarHBondContact O-N 2.87Å; S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 2.72Å; A256-A279 HydrophobicContact CB-CB 4.38Å; A256-A279 PolarHBondContact N-O 2.65Å
257	F	92.5	Very high	92.8	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	20.6	-179.9	-62.8	-90.1	0	0	0	112.6	F233 I242 M244 I252 G255 L260 V266 I268 A279 F280 M283	F233-F257 HydrophobicContact CB-CD1 4.42Å; F233-F257 AromaticContact CD2-CD1 3.58Å; F233-F257 HydrophobicContact CD2-CD1 3.58Å; F233-F257 AromaticContact CD2-CE1 3.48Å; F233-F257 HydrophobicContact CD2-CE1 3.48Å; F233-F257 VanDerWaalsContact CD2-CE1 3.48Å; F233-F257 HydrophobicContact CD2-CG 4.17Å; F233-F257 HydrophobicContact CD2-CZ 4.01Å; F233-F257 HydrophobicContact CE2-CD1 4.2Å; F233-F257 AromaticContact CE2-CE1 3.62Å; F233-F257 HydrophobicContact CE2-CE1 3.62Å; F233-F257 AromaticContact CE2-CZ 3.82Å; F233-F257 HydrophobicContact CE2-CZ 3.82Å; F233-F257 HydrophobicContact CG-CD1 4.2Å; F233-F257 HydrophobicContact CG-CE1 4.3Å; I242-F257 HydrophobicContact CD1-CD1 4.47Å; I242-F257 HydrophobicContact CD1-CE1 4.34Å; M244-F257 HydrophobicContact CE-CE1 3.98Å; M244-F257 HydrophobicContact CE-CZ 3.85Å; I252-F257 HydrophobicContact CG2-CD2 4.46Å; I252-F257 HydrophobicContact CG2-CE2 3.86Å; G255-F257 PolarHBondContact O-N 3.33Å; F257-L260 HydrophobicContact CB-CD1 3.85Å; F257-L260 HydrophobicContact CB-CG 4.44Å; F257-L260 HydrophobicContact CD1-CD1 3.58Å; F257-L260 HydrophobicContact CG-CD1 4.21Å; F257-L260 WeakPolarHBondContact O-CG 3.25Å; F257-L260 PolarHBondContact O-N 3.31Å; F257-V266 HydrophobicContact CE1-CG1 4.3Å; F257-V266 HydrophobicContact CZ-CG1 4.46Å; F257-I268 HydrophobicContact CZ-CD1 4.34Å; F257-A279 HydrophobicContact CD2-CB 4.35Å; F257-A279 PolarHBondContact N-O 2.84Å; F257-A279 VanDerWaalsContact N-O 3.09Å; F257-F280 HydrophobicContact CB-CD1 4.41Å; F257-F280 AromaticContact CD2-CD1 3.62Å; F257-F280 HydrophobicContact CD2-CD1 3.62Å; F257-F280 AromaticContact CD2-CE1 3.62Å; F257-F280 HydrophobicContact CD2-CE1 3.62Å; F257-F280 HydrophobicContact CE2-CD1 4.04Å; F257-F280 AromaticContact CE2-CE1 3.51Å; F257-F280 HydrophobicContact CE2-CE1 3.51Å; F257-F280 HydrophobicContact CE2-CZ 4.25Å; F257-F280 HydrophobicContact CG-CD1 4.05Å; F257-F280 HydrophobicContact CG-CE1 4.26Å; F257-F280 HydrophobicContact CZ-CE1 4.09Å; F257-M283 HydrophobicContact CB-CG 3.92Å; F257-M283 HydrophobicContact CB-SD 3.69Å; F257-M283 HydrophobicContact CD1-SD 4.45Å; F257-M283 HydrophobicContact CG-SD 4.24Å; F257-M283 WeakPolarHBondContact O-CG 3.32Å
258	D	87.6	Confident	92.8	Very high	36 Å²	36	26.1 Å²	26.1	19%	0.193	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	141.5	-179	-174	29.6	0	0	0	111.7	H231 G255 L260	H231-D258 IonicContact CD2-OD2 2.78Å; H231-D258 IonicContact NE2-OD2 3.12Å; G255-D258 VanDerWaalsContact O-CB 3.32Å; G255-D258 WeakPolarHBondContact O-CB 3.2Å; G255-D258 PolarHBondContact O-N 2.87Å; D258-L260 VanDerWaalsContact C-N 3.26Å; D258-L260 PolarHBondContact O-N 3.09Å
259	Q	83.4	Confident	92.8	Very high	85 Å²	85	29.5 Å²	29.5	40%	0.397	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	20.3	-177.2	-50.2	-178	-3.1	0	0	115.9	R234 E261	R234-Q259 HydrophobicContact CG-CB 4.32Å; R234-Q259 HydrophobicContact CG-CG 4.48Å; R234-Q259 VanDerWaalsContact NE-CD 3.35Å; Q259-E261 PolarHBondContact O-N 2.63Å
260	L	86.8	Confident	92.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.			trans	-77.1	101.6	160.7	-65	-173.4	0	0	0	109.3	F233 M236 I242 F257 D258 M283 R284	F233-L260 HydrophobicContact CB-CD1 4.15Å; F233-L260 HydrophobicContact CB-CD2 4.17Å; F233-L260 HydrophobicContact CB-CG 4.37Å; F233-L260 VanDerWaalsContact O-CD2 3.28Å; F233-L260 WeakPolarHBondContact O-CD2 3.25Å; M236-L260 HydrophobicContact CB-CD2 3.6Å; M236-L260 HydrophobicContact CE-CD2 4.18Å; M236-L260 WeakPolarHBondContact O-CD2 3.36Å; I242-L260 HydrophobicContact CD1-CD1 3.88Å; F257-L260 HydrophobicContact CB-CD1 3.85Å; F257-L260 HydrophobicContact CB-CG 4.44Å; F257-L260 HydrophobicContact CD1-CD1 3.58Å; F257-L260 HydrophobicContact CG-CD1 4.21Å; F257-L260 WeakPolarHBondContact O-CG 3.25Å; F257-L260 PolarHBondContact O-N 3.31Å; D258-L260 VanDerWaalsContact C-N 3.26Å; D258-L260 PolarHBondContact O-N 3.09Å; L260-M283 HydrophobicContact CB-CG 4.17Å; L260-M283 HydrophobicContact CB-SD 4.43Å; L260-M283 HydrophobicContact CD1-SD 4.17Å; L260-M283 VanDerWaalsContact O-CA 3.23Å; L260-M283 WeakPolarHBondContact O-CA 3.36Å; L260-R284 PolarHBondContact O-N 2.96Å; L260-R284 VanDerWaalsContact O-N 3.13Å
261	E	86.7	Confident	92.9	Very high	62 Å²	62	31.1 Å²	31.1	29%	0.29	15%	0.153	S	C	.	.			trans	-76	-31	-173.4	-59.6	-178.7	-161.3	0	0	113.9	K237 H238 Q259 R284	K237-E261 HydrophobicContact CB-CB 4.43Å; K237-E261 HydrophobicContact CB-CG 4.19Å; K237-E261 WeakPolarHBondContact CD-OE1 3.3Å; K237-E261 WeakPolarHBondContact CE-OE1 3.36Å; K237-E261 HydrophobicContact CG-CG 4.34Å; K237-E261 IonicContact NZ-OE1 2.59Å; K237-E261 PolarHBondContact NZ-OE1 3.12Å; K237-E261 CarbonylContact O-C 2.92Å; K237-E261 WeakPolarHBondContact O-CA 3.3Å; K237-E261 WeakPolarHBondContact O-CB 3.3Å; K237-E261 PolarHBondContact O-N 2.86Å; H238-E261 IonicContact CE1-OE2 3.54Å; Q259-E261 PolarHBondContact O-N 2.63Å; E261-R284 CarbonylContact C-O 3.4Å; E261-R284 VanDerWaalsContact C-O 3.3Å; E261-R284 CarbonylContact O-C 3.41Å; E261-R284 WeakPolarHBondContact O-CB 3.35Å
262	T	88.5	Confident	92.9	Very high	46 Å²	46	36.7 Å²	36.7	28%	0.282	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	132.4	173.2	62.8	0	0	0	0	109.6	K237 H238 V239 R284 N285	K237-T262 PolarHBondContact O-N 3.47Å; H238-T262 WeakPolarHBondContact CA-OG1 3.43Å; H238-T262 WeakPolarHBondContact CB-OG1 3.45Å; H238-T262 PolarHBondContact ND1-OG1 2.85Å; V239-T262 PolarHBondContact N-O 3.29Å; T262-R284 WeakPolarHBondContact CA-O 3.19Å; T262-N285 HydrophobicContact CG2-CB 4.24Å
263	V	91.6	Very high	93	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.6	171.6	61.1	0	0	0	0	112.3	V239 I242 V266 M283 N285 V286 G287	V239-V263 HydrophobicContact CB-CG2 4.25Å; V239-V263 CarbonylContact O-C 3.01Å; V239-V263 WeakPolarHBondContact O-CA 3.27Å; I242-V263 HydrophobicContact CD1-CG2 4.37Å; I242-V263 HydrophobicContact CG1-CG2 4.31Å; V263-V266 HydrophobicContact CB-CG2 4.41Å; V263-V266 HydrophobicContact CG1-CG2 3.95Å; V263-V266 HydrophobicContact CG2-CG2 3.61Å; V263-M283 HydrophobicContact CG1-CE 4.47Å; V263-M283 HydrophobicContact CG1-SD 4.16Å; V263-N285 PolarHBondContact N-O 3.21Å; V263-N285 VanDerWaalsContact N-O 3.15Å; V263-V286 HydrophobicContact CG1-CB 4.1Å; V263-V286 HydrophobicContact CG1-CG1 3.89Å; V263-V286 HydrophobicContact CG1-CG2 3.91Å; V263-V286 CarbonylContact O-C 3.51Å; V263-V286 WeakPolarHBondContact O-CA 3.47Å; V263-G287 PolarHBondContact O-N 2.9Å
264	E	92.4	Very high	93	Very high	118 Å²	118	36.7 Å²	36.7	55%	0.551	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	-40.6	-179	-52.3	164.1	-156.6	0	0	111.5	V239 S240 G287 K288	V239-E264 PolarHBondContact O-N 2.9Å; V239-E264 VanDerWaalsContact O-N 3.1Å; S240-E264 VanDerWaalsContact CB-CD 3.5Å; S240-E264 VanDerWaalsContact CB-OE1 3.3Å; S240-E264 WeakPolarHBondContact CB-OE1 3.48Å; S240-E264 CarbonylContact O-C 3.59Å; S240-E264 WeakPolarHBondContact O-CA 3.15Å; S240-E264 WeakPolarHBondContact O-CB 3.19Å; S240-E264 PolarHBondContact O-N 2.95Å; S240-E264 PolarHBondContact OG-OE1 3.46Å; E264-G287 CarbonylContact O-C 3.58Å; E264-G287 WeakPolarHBondContact O-CA 3.17Å; E264-G287 PolarHBondContact O-N 2.87Å; E264-K288 PolarHBondContact O-N 3.39Å
265	T	93.7	Very high	93	Very high	37 Å²	37	36.6 Å²	36.6	23%	0.227	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	125.4	178.5	-63.9	0	0	0	0	112.6	S240 S241 I242 Q267 K288	S240-T265 PolarHBondContact O-N 3.02Å; S241-T265 CarbonylContact C-O 3.59Å; S241-T265 VanDerWaalsContact CA-O 3.3Å; S241-T265 WeakPolarHBondContact CA-O 3.41Å; I242-T265 PolarHBondContact N-O 3.23Å; T265-Q267 HydrophobicContact CG2-CB 4.31Å; T265-K288 CarbonylContact C-O 3.57Å; T265-K288 VanDerWaalsContact CA-O 3.28Å; T265-K288 WeakPolarHBondContact CA-O 3.18Å; T265-K288 HydrophobicContact CG2-CB 4.23Å; T265-K288 HydrophobicContact CG2-CD 4.37Å
266	V	95	Very high	93.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.7	163.4	-179.3	0	0	0	0	108	I242 F257 V263 I268 K288 L289 E290	I242-V266 HydrophobicContact CB-CG2 4.38Å; I242-V266 HydrophobicContact CD1-CG2 4.3Å; F257-V266 HydrophobicContact CE1-CG1 4.3Å; F257-V266 HydrophobicContact CZ-CG1 4.46Å; V263-V266 HydrophobicContact CB-CG2 4.41Å; V263-V266 HydrophobicContact CG1-CG2 3.95Å; V263-V266 HydrophobicContact CG2-CG2 3.61Å; V266-I268 HydrophobicContact CG1-CD1 4.27Å; V266-I268 HydrophobicContact CG1-CG1 4.13Å; V266-K288 PolarHBondContact N-O 3.17Å; V266-L289 HydrophobicContact CB-CD1 3.75Å; V266-L289 HydrophobicContact CG1-CD1 3.8Å; V266-E290 PolarHBondContact O-N 3.25Å
267	Q	96.5	Very high	92.9	Very high	33 Å²	33	40.2 Å²	40.2	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.1	179.1	-178.4	174.2	52.3	0	0	110	I242 M244 T265 E290	I242-Q267 PolarHBondContact O-N 2.92Å; M244-Q267 PolarHBondContact N-O 2.96Å; T265-Q267 HydrophobicContact CG2-CB 4.31Å; Q267-E290 HydrophobicContact CG-CB 4.44Å; Q267-E290 PolarHBondContact NE2-OE2 3.13Å
268	I	97.6	Very high	92.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	100.6	178.2	-57	-178.6	0	0	0	107.9	M244 L249 I252 F257 V266 C271 V273 E290 L291 L292 N294	M244-I268 HydrophobicContact CB-CG1 4.48Å; M244-I268 HydrophobicContact SD-CD1 4.37Å; M244-I268 HydrophobicContact SD-CG1 4.26Å; L249-I268 HydrophobicContact CD1-CG2 4Å; I252-I268 HydrophobicContact CD1-CD1 3.8Å; F257-I268 HydrophobicContact CZ-CD1 4.34Å; V266-I268 HydrophobicContact CG1-CD1 4.27Å; V266-I268 HydrophobicContact CG1-CG1 4.13Å; I268-C271 HydrophobicContact CG2-CB 3.51Å; I268-V273 HydrophobicContact CG2-CG2 3.86Å; I268-E290 PolarHBondContact N-O 2.84Å; I268-L291 HydrophobicContact CB-CD2 3.89Å; I268-L291 HydrophobicContact CD1-CD2 3.83Å; I268-L291 HydrophobicContact CG1-CD2 4.18Å; I268-L292 PolarHBondContact O-N 3.24Å; I268-N294 PolarHBondContact O-ND2 3.26Å
269	R	98	Very high	92.7	Very high	106 Å²	106	38.7 Å²	38.7	40%	0.4	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.2	-172.9	-170	179	68.7	178.9	2.3	111.3	M244 D245 Q246 C271 L292	M244-R269 PolarHBondContact O-N 3.01Å; D245-R269 VanDerWaalsContact CA-O 3.26Å; D245-R269 WeakPolarHBondContact CA-O 3.35Å; D245-R269 IonicContact OD1-NE 2.72Å; D245-R269 IonicContact OD2-CZ 2.96Å; D245-R269 VanDerWaalsContact OD2-CZ 3.24Å; D245-R269 IonicContact OD2-NE 3.69Å; D245-R269 PolarHBondContact OD2-NE 2.87Å; D245-R269 VanDerWaalsContact OD2-NE 3.09Å; D245-R269 IonicContact OD2-NH2 3.26Å; D245-R269 PolarHBondContact OD2-NH2 3.41Å; Q246-R269 PolarHBondContact N-O 2.92Å; R269-C271 PolarHBondContact O-N 3.26Å; R269-C271 PolarHBondContact O-SG 2.88Å; R269-L292 VanDerWaalsContact CA-O 3.25Å; R269-L292 WeakPolarHBondContact CA-O 3.3Å; R269-L292 HydrophobicContact CG-CB 4.23Å
270	N	97.9	Very high	92.7	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.203	17%	0.167	C	C	.	.	S	Bend	trans	54.7	39.3	176.7	-54.6	-48.6	0	0	0	113	D245 Q246 S247 L292 N293	D245-N270 PolarHBondContact OD1-ND2 2.86Å; Q246-N270 CarbonylContact C-O 3.58Å; Q246-N270 VanDerWaalsContact CA-O 3.26Å; Q246-N270 WeakPolarHBondContact CA-O 3.3Å; Q246-N270 PolarHBondContact N-O 2.97Å; Q246-N270 VanDerWaalsContact NE2-CB 3.31Å; Q246-N270 VanDerWaalsContact NE2-CG 3.34Å; Q246-N270 PolarHBondContact NE2-ND2 2.86Å; S247-N270 PolarHBondContact N-O 3.11Å; N270-L292 PolarHBondContact N-O 2.84Å; N270-L292 VanDerWaalsContact N-O 3.17Å; N270-N293 VanDerWaalsContact CA-O 3.25Å; N270-N293 WeakPolarHBondContact CA-O 3.46Å; N270-N293 PolarHBondContact N-O 2.77Å; N270-N293 WeakPolarHBondContact OD1-CB 3.23Å; N270-N293 PolarHBondContact OD1-ND2 3.09Å
271	C	98.2	Very high	92.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.			trans	-105.3	7.8	-171.5	-73.9	0	0	0	0	113.8	M244 S247 L249 I268 R269 V273 N294	M244-C271 VanDerWaalsContact C-SG 3.55Å; M244-C271 PolarHBondContact O-SG 2.98Å; M244-C271 VanDerWaalsContact O-SG 3.39Å; S247-C271 CarbonylContact C-O 3.27Å; S247-C271 CarbonylContact O-C 3.51Å; S247-C271 WeakPolarHBondContact O-CA 3.44Å; S247-C271 VanDerWaalsContact O-O 3.1Å; L249-C271 HydrophobicContact CD1-CB 3.71Å; L249-C271 HydrophobicContact CG-CB 3.86Å; L249-C271 PolarHBondContact N-O 2.83Å; I268-C271 HydrophobicContact CG2-CB 3.51Å; R269-C271 PolarHBondContact O-N 3.26Å; R269-C271 PolarHBondContact O-SG 2.88Å; C271-V273 HydrophobicContact CB-CG2 4.04Å; C271-V273 PolarHBondContact O-N 3.05Å; C271-N294 VanDerWaalsContact CA-OD1 3.25Å; C271-N294 WeakPolarHBondContact CA-OD1 3.28Å; C271-N294 VanDerWaalsContact CB-OD1 3.25Å; C271-N294 WeakPolarHBondContact CB-OD1 3.4Å; C271-N294 PolarHBondContact N-OD1 3.43Å
272	R	96.5	Very high	91.7	Very high	143 Å²	143	36.7 Å²	36.7	54%	0.54	19%	0.192	S	C	.	.			trans	45.5	39.7	-177.9	-56.4	-178.6	-176.9	163.3	1.8	112.8	A274 N294	R272-A274 PolarHBondContact O-N 3.1Å; R272-N294 PolarHBondContact N-OD1 3.19Å
273	V	97.2	Very high	91.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	119.9	174.3	-178	0	0	0	0	107.7	L249 G250 I252 I268 C271 V276 N294 Q295 I296	L249-V273 HydrophobicContact CB-CG2 4.08Å; L249-V273 HydrophobicContact CD1-CG2 4.04Å; G250-V273 CarbonylContact O-C 3.28Å; G250-V273 WeakPolarHBondContact O-CA 3.28Å; I252-V273 HydrophobicContact CD1-CG1 4.06Å; I252-V273 HydrophobicContact CD1-CG2 4.07Å; I252-V273 HydrophobicContact CG1-CG1 4.05Å; I252-V273 HydrophobicContact CG1-CG2 4.43Å; I268-V273 HydrophobicContact CG2-CG2 3.86Å; C271-V273 HydrophobicContact CB-CG2 4.04Å; C271-V273 PolarHBondContact O-N 3.05Å; V273-V276 HydrophobicContact CG1-CG2 3.8Å; V273-N294 HydrophobicContact CB-CB 4.04Å; V273-N294 PolarHBondContact N-OD1 2.77Å; V273-Q295 CarbonylContact O-C 3.47Å; V273-Q295 WeakPolarHBondContact O-CA 3.47Å; V273-Q295 PolarHBondContact O-N 3.23Å; V273-Q295 VanDerWaalsContact O-N 3.12Å; V273-I296 HydrophobicContact CB-CD1 4.42Å; V273-I296 HydrophobicContact CB-CG1 3.93Å; V273-I296 HydrophobicContact CG1-CD1 4.33Å; V273-I296 HydrophobicContact CG1-CG1 3.91Å; V273-I296 WeakPolarHBondContact O-CA 3.48Å; V273-I296 WeakPolarHBondContact O-CG1 3.44Å; V273-I296 PolarHBondContact O-N 3.02Å
274	A	94.7	Very high	90.6	Very high	47 Å²	47	42.5 Å²	42.5	39%	0.388	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-37.6	177.6	0	0	0	0	0	111.7	G250 R272 G297	G250-A274 PolarHBondContact O-N 3.23Å; R272-A274 PolarHBondContact O-N 3.1Å; A274-G297 PolarHBondContact O-N 3.41Å
275	S	93.2	Very high	90	Very high	12 Å²	12	41.7 Å²	41.7	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.2	177.7	75.6	0	0	0	0	113.6	G250 T251 I252 H298	G250-S275 PolarHBondContact O-N 3.4Å; T251-S275 WeakPolarHBondContact CA-O 2.89Å; T251-S275 VanDerWaalsContact CG2-OG 3.3Å; T251-S275 WeakPolarHBondContact CG2-OG 3.4Å; T251-S275 PolarHBondContact OG1-OG 3.36Å; T251-S275 VanDerWaalsContact OG1-OG 3.08Å; I252-S275 PolarHBondContact N-O 3.44Å; S275-H298 VanDerWaalsContact CA-O 3.27Å; S275-H298 WeakPolarHBondContact CA-O 3.48Å
276	V	92.9	Very high	89.4	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.2	176.2	-178.3	0	0	0	0	108.2	V273 A279 F280 L291 I296 H298 A300 A303	V273-V276 HydrophobicContact CG1-CG2 3.8Å; V276-A279 HydrophobicContact CG1-CB 4.31Å; V276-F280 HydrophobicContact CG1-CD2 4.37Å; V276-F280 HydrophobicContact CG1-CE2 3.75Å; V276-L291 HydrophobicContact CG2-CD1 4.49Å; V276-I296 HydrophobicContact CG2-CD1 4.27Å; V276-H298 PolarHBondContact N-O 3.12Å; V276-A300 PolarHBondContact O-N 2.9Å; V276-A303 HydrophobicContact CG1-CB 4.17Å
277	R	91	Very high	88.9	Confident	77 Å²	77	41.4 Å²	41.4	29%	0.291	21%	0.212	S	C	.	.			trans	-85.1	-155.6	174.3	-58.5	-166.4	179.2	-156.6	1.2	110.6	T251 I252 S254 A279 A303	T251-R277 HydrophobicContact CG2-CG 4.06Å; I252-R277 WeakPolarHBondContact O-CB 3.33Å; I252-R277 PolarHBondContact O-N 2.95Å; S254-R277 WeakPolarHBondContact OG-CB 3.5Å; R277-A279 PolarHBondContact O-N 3.49Å; R277-A303 WeakPolarHBondContact O-CA 3.44Å; R277-A303 VanDerWaalsContact O-CB 3.23Å; R277-A303 WeakPolarHBondContact O-CB 3.49Å
278	N	87.5	Confident	88.6	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.027	22%	0.22	C	C	.	.	S	Bend	trans	-74	52.6	171.1	-67.5	-1.5	0	0	0	111.1	S254 G255 S281 F302 A303 E382	S254-N278 WeakPolarHBondContact CA-O 3.36Å; S254-N278 PolarHBondContact OG-N 3.49Å; G255-N278 PolarHBondContact N-O 3.35Å; N278-S281 PolarHBondContact O-OG 2.77Å; N278-S281 VanDerWaalsContact O-OG 3.12Å; N278-F302 VanDerWaalsContact OD1-C 3.27Å; N278-A303 PolarHBondContact OD1-N 3.05Å; N278-E382 WeakPolarHBondContact ND2-CG 3.47Å; N278-E382 PolarHBondContact ND2-OE1 3.12Å
279	A	87.3	Confident	88.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-35	-168.5	0	0	0	0	0	113.3	I252 H253 A256 F257 V276 R277 S281	I252-A279 HydrophobicContact CB-CB 4.12Å; I252-A279 HydrophobicContact CG2-CB 3.36Å; H253-A279 VanDerWaalsContact O-CA 3.32Å; H253-A279 WeakPolarHBondContact O-CA 3.37Å; H253-A279 WeakPolarHBondContact O-CB 3.33Å; A256-A279 HydrophobicContact CB-CB 4.38Å; A256-A279 PolarHBondContact N-O 2.65Å; F257-A279 HydrophobicContact CD2-CB 4.35Å; F257-A279 PolarHBondContact N-O 2.84Å; F257-A279 VanDerWaalsContact N-O 3.09Å; V276-A279 HydrophobicContact CG1-CB 4.31Å; R277-A279 PolarHBondContact O-N 3.49Å; A279-S281 VanDerWaalsContact C-N 3.32Å
280	F	84.3	Confident	88	Confident	9 Å²	9	39 Å²	39	4%	0.039	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	9.6	-175.7	-54.5	-66.4	0	0	0	112.9	F257 V276 G282 M283 L289 F304 I307	F257-F280 HydrophobicContact CB-CD1 4.41Å; F257-F280 AromaticContact CD2-CD1 3.62Å; F257-F280 HydrophobicContact CD2-CD1 3.62Å; F257-F280 AromaticContact CD2-CE1 3.62Å; F257-F280 HydrophobicContact CD2-CE1 3.62Å; F257-F280 HydrophobicContact CE2-CD1 4.04Å; F257-F280 AromaticContact CE2-CE1 3.51Å; F257-F280 HydrophobicContact CE2-CE1 3.51Å; F257-F280 HydrophobicContact CE2-CZ 4.25Å; F257-F280 HydrophobicContact CG-CD1 4.05Å; F257-F280 HydrophobicContact CG-CE1 4.26Å; F257-F280 HydrophobicContact CZ-CE1 4.09Å; V276-F280 HydrophobicContact CG1-CD2 4.37Å; V276-F280 HydrophobicContact CG1-CE2 3.75Å; F280-G282 PolarHBondContact O-N 3.35Å; F280-M283 HydrophobicContact CB-CE 3.79Å; F280-M283 HydrophobicContact CD1-CE 3.61Å; F280-M283 HydrophobicContact CD1-SD 4.1Å; F280-M283 HydrophobicContact CG-CE 4.04Å; F280-M283 WeakPolarHBondContact O-CG 3.34Å; F280-M283 PolarHBondContact O-N 3.44Å; F280-L289 HydrophobicContact CD1-CD2 4.24Å; F280-L289 HydrophobicContact CD2-CD2 3.98Å; F280-L289 HydrophobicContact CE1-CD1 3.81Å; F280-L289 HydrophobicContact CE1-CD2 4.07Å; F280-L289 HydrophobicContact CE2-CD2 3.82Å; F280-L289 HydrophobicContact CG-CD2 4.18Å; F280-L289 HydrophobicContact CZ-CD1 3.8Å; F280-L289 HydrophobicContact CZ-CD2 3.86Å; F280-L289 HydrophobicContact CZ-CG 4.44Å; F280-F304 AromaticContact CD2-CD1 3.82Å; F280-F304 HydrophobicContact CD2-CD1 3.82Å; F280-F304 AromaticContact CD2-CE1 3.76Å; F280-F304 HydrophobicContact CD2-CE1 3.76Å; F280-F304 HydrophobicContact CE2-CD1 4.15Å; F280-F304 AromaticContact CE2-CE1 3.59Å; F280-F304 HydrophobicContact CE2-CE1 3.59Å; F280-I307 HydrophobicContact CB-CD1 4.48Å
281	S	76.9	Confident	87.9	Confident	50 Å²	50	37.2 Å²	37.2	35%	0.35	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133.5	176	63.4	0	0	0	0	110.8	N278 A279 M283	N278-S281 PolarHBondContact O-OG 2.77Å; N278-S281 VanDerWaalsContact O-OG 3.12Å; A279-S281 VanDerWaalsContact C-N 3.32Å; S281-M283 VanDerWaalsContact C-N 3.3Å; S281-M283 PolarHBondContact O-N 3.37Å
282	G	74.5	Confident	87.8	Confident	46 Å²	46	38.2 Å²	38.2	47%	0.474	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-7.3	176.6	0	0	0	0	0	114.5	F280	F280-G282 PolarHBondContact O-N 3.35Å
283	M	80.6	Confident	87.8	Confident	7 Å²	7	35.6 Å²	35.6	3%	0.034	20%	0.197	C	C	.	.			trans	-65.1	138.3	169.4	-61.7	-155.4	-50	0	0	110.2	F257 L260 V263 F280 S281 V286	F257-M283 HydrophobicContact CB-CG 3.92Å; F257-M283 HydrophobicContact CB-SD 3.69Å; F257-M283 HydrophobicContact CD1-SD 4.45Å; F257-M283 HydrophobicContact CG-SD 4.24Å; F257-M283 WeakPolarHBondContact O-CG 3.32Å; L260-M283 HydrophobicContact CB-CG 4.17Å; L260-M283 HydrophobicContact CB-SD 4.43Å; L260-M283 HydrophobicContact CD1-SD 4.17Å; L260-M283 VanDerWaalsContact O-CA 3.23Å; L260-M283 WeakPolarHBondContact O-CA 3.36Å; V263-M283 HydrophobicContact CG1-CE 4.47Å; V263-M283 HydrophobicContact CG1-SD 4.16Å; F280-M283 HydrophobicContact CB-CE 3.79Å; F280-M283 HydrophobicContact CD1-CE 3.61Å; F280-M283 HydrophobicContact CD1-SD 4.1Å; F280-M283 HydrophobicContact CG-CE 4.04Å; F280-M283 WeakPolarHBondContact O-CG 3.34Å; F280-M283 PolarHBondContact O-N 3.44Å; S281-M283 VanDerWaalsContact C-N 3.3Å; S281-M283 PolarHBondContact O-N 3.37Å; M283-V286 HydrophobicContact CB-CG2 3.96Å; M283-V286 HydrophobicContact CE-CB 4.33Å; M283-V286 HydrophobicContact CE-CG1 4.15Å; M283-V286 HydrophobicContact CE-CG2 3.22Å; M283-V286 HydrophobicContact SD-CG2 4.26Å
284	R	77.4	Confident	87.8	Confident	163 Å²	163	36 Å²	36	62%	0.615	20%	0.199	S	C	*	.			trans	-116.4	146.8	170.8	-57.1	173.5	-176.8	-175.8	-1.2	108.2	L260 E261 T262 V286	L260-R284 PolarHBondContact O-N 2.96Å; L260-R284 VanDerWaalsContact O-N 3.13Å; E261-R284 CarbonylContact C-O 3.4Å; E261-R284 VanDerWaalsContact C-O 3.3Å; E261-R284 CarbonylContact O-C 3.41Å; E261-R284 WeakPolarHBondContact O-CB 3.35Å; T262-R284 WeakPolarHBondContact CA-O 3.19Å; R284-V286 PolarHBondContact O-N 3.15Å
285	N	78.5	Confident	87.7	Confident	102 Å²	102	39.1 Å²	39.1	55%	0.545	21%	0.205	S	C	.	.			trans	46.4	68.4	174.5	-59.1	-26	0	0	0	115.5	T262 V263 E311	T262-N285 HydrophobicContact CG2-CB 4.24Å; V263-N285 PolarHBondContact N-O 3.21Å; V263-N285 VanDerWaalsContact N-O 3.15Å; N285-E311 CarbonylContact C-O 3.51Å; N285-E311 VanDerWaalsContact CA-O 3.32Å; N285-E311 WeakPolarHBondContact CA-O 3.41Å; N285-E311 PolarHBondContact N-O 3.16Å
286	V	81.8	Confident	87.8	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.9	171.9	-173.5	0	0	0	0	108.9	V263 M283 R284 L289 E311 V312 Y313	V263-V286 HydrophobicContact CG1-CB 4.1Å; V263-V286 HydrophobicContact CG1-CG1 3.89Å; V263-V286 HydrophobicContact CG1-CG2 3.91Å; V263-V286 CarbonylContact O-C 3.51Å; V263-V286 WeakPolarHBondContact O-CA 3.47Å; M283-V286 HydrophobicContact CB-CG2 3.96Å; M283-V286 HydrophobicContact CE-CB 4.33Å; M283-V286 HydrophobicContact CE-CG1 4.15Å; M283-V286 HydrophobicContact CE-CG2 3.22Å; M283-V286 HydrophobicContact SD-CG2 4.26Å; R284-V286 PolarHBondContact O-N 3.15Å; V286-L289 HydrophobicContact CG1-CB 4.31Å; V286-E311 PolarHBondContact N-O 2.83Å; V286-V312 HydrophobicContact CB-CB 4.01Å; V286-V312 HydrophobicContact CB-CG1 3.8Å; V286-V312 HydrophobicContact CB-CG2 3.52Å; V286-V312 HydrophobicContact CG1-CG1 3.86Å; V286-V312 HydrophobicContact CG1-CG2 4.28Å; V286-V312 HydrophobicContact CG2-CG2 3.6Å; V286-V312 CarbonylContact O-C 3.59Å; V286-V312 WeakPolarHBondContact O-CA 3.41Å; V286-Y313 PolarHBondContact O-N 3.46Å
287	G	84.2	Confident	87.7	Confident	27 Å²	27	39.3 Å²	39.3	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-57.1	173.4	0	0	0	0	0	111	V263 E264 Y313 S314	V263-G287 PolarHBondContact O-N 2.9Å; E264-G287 CarbonylContact O-C 3.58Å; E264-G287 WeakPolarHBondContact O-CA 3.17Å; E264-G287 PolarHBondContact O-N 2.87Å; G287-Y313 CarbonylContact O-C 2.96Å; G287-Y313 WeakPolarHBondContact O-CB 3.36Å; G287-Y313 PolarHBondContact O-N 2.89Å; G287-S314 PolarHBondContact O-N 2.78Å
288	K	89.9	Confident	87.7	Confident	75 Å²	75	36.3 Å²	36.3	33%	0.326	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.2	-172.9	-160.9	-175.4	-157	-172.3	0	111.6	E264 T265 V266 E290 S314	E264-K288 PolarHBondContact O-N 3.39Å; T265-K288 CarbonylContact C-O 3.57Å; T265-K288 VanDerWaalsContact CA-O 3.28Å; T265-K288 WeakPolarHBondContact CA-O 3.18Å; T265-K288 HydrophobicContact CG2-CB 4.23Å; T265-K288 HydrophobicContact CG2-CD 4.37Å; V266-K288 PolarHBondContact N-O 3.17Å; K288-E290 HydrophobicContact CD-CG 3.79Å; K288-E290 WeakPolarHBondContact CD-OE1 3.23Å; K288-E290 WeakPolarHBondContact CE-OE1 3.19Å; K288-E290 HydrophobicContact CG-CG 3.83Å; K288-E290 IonicContact NZ-OE1 2.6Å; K288-E290 PolarHBondContact NZ-OE1 3.5Å; K288-S314 CarbonylContact C-O 3.45Å; K288-S314 WeakPolarHBondContact CA-O 3.28Å
289	L	90.6	Very high	87.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.7	171	177.9	56	0	0	0	109.3	V266 F280 V286 L291 F304 S314 L315 K316	V266-L289 HydrophobicContact CB-CD1 3.75Å; V266-L289 HydrophobicContact CG1-CD1 3.8Å; F280-L289 HydrophobicContact CD1-CD2 4.24Å; F280-L289 HydrophobicContact CD2-CD2 3.98Å; F280-L289 HydrophobicContact CE1-CD1 3.81Å; F280-L289 HydrophobicContact CE1-CD2 4.07Å; F280-L289 HydrophobicContact CE2-CD2 3.82Å; F280-L289 HydrophobicContact CG-CD2 4.18Å; F280-L289 HydrophobicContact CZ-CD1 3.8Å; F280-L289 HydrophobicContact CZ-CD2 3.86Å; F280-L289 HydrophobicContact CZ-CG 4.44Å; V286-L289 HydrophobicContact CG1-CB 4.31Å; L289-L291 HydrophobicContact CD1-CD2 4.4Å; L289-F304 HydrophobicContact CD2-CD1 3.96Å; L289-F304 HydrophobicContact CD2-CE1 3.72Å; L289-S314 PolarHBondContact N-O 3.42Å; L289-L315 HydrophobicContact CB-CD1 4.08Å; L289-L315 HydrophobicContact CD2-CD1 3.9Å; L289-L315 HydrophobicContact CG-CD1 3.92Å; L289-K316 PolarHBondContact O-N 2.77Å
290	E	93.2	Very high	87.6	Confident	14 Å²	14	36 Å²	36	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118	-178.6	-53.6	-169.2	137.5	0	0	111.3	V266 Q267 I268 K288 L292 K316	V266-E290 PolarHBondContact O-N 3.25Å; Q267-E290 HydrophobicContact CG-CB 4.44Å; Q267-E290 PolarHBondContact NE2-OE2 3.13Å; I268-E290 PolarHBondContact N-O 2.84Å; K288-E290 HydrophobicContact CD-CG 3.79Å; K288-E290 WeakPolarHBondContact CD-OE1 3.23Å; K288-E290 WeakPolarHBondContact CE-OE1 3.19Å; K288-E290 HydrophobicContact CG-CG 3.83Å; K288-E290 IonicContact NZ-OE1 2.6Å; K288-E290 PolarHBondContact NZ-OE1 3.5Å; E290-L292 HydrophobicContact CB-CD1 4.08Å; E290-L292 HydrophobicContact CB-CD2 4.44Å; E290-L292 HydrophobicContact CB-CG 3.98Å; E290-K316 CarbonylContact C-O 3.48Å; E290-K316 WeakPolarHBondContact CA-O 3.11Å; E290-K316 HydrophobicContact CG-CB 4.34Å
291	L	94.8	Very high	87.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	93.5	172.8	-58.2	179.2	0	0	0	108.5	I268 V276 L289 I296 F304 K316 I317 A318 N320	I268-L291 HydrophobicContact CB-CD2 3.89Å; I268-L291 HydrophobicContact CD1-CD2 3.83Å; I268-L291 HydrophobicContact CG1-CD2 4.18Å; V276-L291 HydrophobicContact CG2-CD1 4.49Å; L289-L291 HydrophobicContact CD1-CD2 4.4Å; L291-I296 HydrophobicContact CB-CD1 3.97Å; L291-I296 HydrophobicContact CD1-CD1 3.9Å; L291-I296 HydrophobicContact CG-CD1 4.43Å; L291-F304 HydrophobicContact CD1-CE1 4.28Å; L291-F304 HydrophobicContact CD1-CZ 3.91Å; L291-K316 PolarHBondContact N-O 3.01Å; L291-I317 HydrophobicContact CB-CG1 4.4Å; L291-I317 HydrophobicContact CD1-CG1 4.33Å; L291-A318 PolarHBondContact O-N 3.24Å; L291-N320 PolarHBondContact O-ND2 2.57Å
292	L	96.1	Very high	87.3	Confident	21 Å²	21	37.6 Å²	37.6	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.8	-167.1	-54.4	177.7	0	0	0	111.6	I268 R269 N270 E290 N294 K316 A318	I268-L292 PolarHBondContact O-N 3.24Å; R269-L292 VanDerWaalsContact CA-O 3.25Å; R269-L292 WeakPolarHBondContact CA-O 3.3Å; R269-L292 HydrophobicContact CG-CB 4.23Å; N270-L292 PolarHBondContact N-O 2.84Å; N270-L292 VanDerWaalsContact N-O 3.17Å; E290-L292 HydrophobicContact CB-CD1 4.08Å; E290-L292 HydrophobicContact CB-CD2 4.44Å; E290-L292 HydrophobicContact CB-CG 3.98Å; L292-N294 PolarHBondContact N-ND2 3.06Å; L292-N294 PolarHBondContact O-N 3.41Å; L292-N294 PolarHBondContact O-ND2 3Å; L292-N294 VanDerWaalsContact O-ND2 3.12Å; L292-K316 HydrophobicContact CD2-CD 3.97Å; L292-K316 HydrophobicContact CD2-CG 3.95Å; L292-A318 CarbonylContact C-O 3.3Å; L292-A318 WeakPolarHBondContact CA-O 3.21Å; L292-A318 HydrophobicContact CD2-CB 3.87Å
293	N	96.8	Very high	87.4	Confident	88 Å²	88	35.5 Å²	35.5	47%	0.471	18%	0.175	S	C	.	.	S	Bend	trans	51.6	55.4	176.3	-156.3	28.9	0	0	0	113	N270 A318 D319	N270-N293 VanDerWaalsContact CA-O 3.25Å; N270-N293 WeakPolarHBondContact CA-O 3.46Å; N270-N293 PolarHBondContact N-O 2.77Å; N270-N293 WeakPolarHBondContact OD1-CB 3.23Å; N270-N293 PolarHBondContact OD1-ND2 3.09Å; N293-A318 PolarHBondContact N-O 3.24Å; N293-D319 WeakPolarHBondContact CA-O 3.3Å; N293-D319 HydrophobicContact CB-CB 4.24Å
294	N	96.5	Very high	87.1	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.043	18%	0.175	C	C	.	.			trans	-116.7	-174.1	172.3	-63.8	-80.3	0	0	0	110	I268 C271 R272 V273 L292 I296 D319 N320	I268-N294 PolarHBondContact O-ND2 3.26Å; C271-N294 VanDerWaalsContact CA-OD1 3.25Å; C271-N294 WeakPolarHBondContact CA-OD1 3.28Å; C271-N294 VanDerWaalsContact CB-OD1 3.25Å; C271-N294 WeakPolarHBondContact CB-OD1 3.4Å; C271-N294 PolarHBondContact N-OD1 3.43Å; R272-N294 PolarHBondContact N-OD1 3.19Å; V273-N294 HydrophobicContact CB-CB 4.04Å; V273-N294 PolarHBondContact N-OD1 2.77Å; L292-N294 PolarHBondContact N-ND2 3.06Å; L292-N294 PolarHBondContact O-N 3.41Å; L292-N294 PolarHBondContact O-ND2 3Å; L292-N294 VanDerWaalsContact O-ND2 3.12Å; N294-I296 HydrophobicContact CB-CD1 4.2Å; N294-I296 HydrophobicContact CB-CG1 3.88Å; N294-D319 PolarHBondContact N-O 3.27Å; N294-N320 WeakPolarHBondContact CA-OD1 3.12Å; N294-N320 WeakPolarHBondContact CB-OD1 3.35Å; N294-N320 PolarHBondContact N-OD1 3Å; N294-N320 PolarHBondContact O-OD1 3.06Å
295	Q	93.8	Very high	86.4	Confident	112 Å²	112	34.3 Å²	34.3	52%	0.523	17%	0.174	S	C	.	.			trans	-113.6	37.6	-178.2	-65.9	171.7	-15.9	0	0	110	V273 G297	V273-Q295 CarbonylContact O-C 3.47Å; V273-Q295 WeakPolarHBondContact O-CA 3.47Å; V273-Q295 PolarHBondContact O-N 3.23Å; V273-Q295 VanDerWaalsContact O-N 3.12Å; Q295-G297 PolarHBondContact O-N 3.38Å
296	I	94.6	Very high	85.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.			trans	-69.7	106.4	-169.9	-60.4	172.1	0	0	0	108.3	V273 V276 L291 N294 I299 N320 E321 I322	V273-I296 HydrophobicContact CB-CD1 4.42Å; V273-I296 HydrophobicContact CB-CG1 3.93Å; V273-I296 HydrophobicContact CG1-CD1 4.33Å; V273-I296 HydrophobicContact CG1-CG1 3.91Å; V273-I296 WeakPolarHBondContact O-CA 3.48Å; V273-I296 WeakPolarHBondContact O-CG1 3.44Å; V273-I296 PolarHBondContact O-N 3.02Å; V276-I296 HydrophobicContact CG2-CD1 4.27Å; L291-I296 HydrophobicContact CB-CD1 3.97Å; L291-I296 HydrophobicContact CD1-CD1 3.9Å; L291-I296 HydrophobicContact CG-CD1 4.43Å; N294-I296 HydrophobicContact CB-CD1 4.2Å; N294-I296 HydrophobicContact CB-CG1 3.88Å; I296-I299 HydrophobicContact CG2-CD1 3.91Å; I296-I299 HydrophobicContact CG2-CG1 3.47Å; I296-I299 VanDerWaalsContact CG2-CG1 3.47Å; I296-N320 HydrophobicContact CB-CB 4.21Å; I296-N320 WeakPolarHBondContact CD1-OD1 3.26Å; I296-N320 WeakPolarHBondContact CG1-OD1 3.32Å; I296-E321 CarbonylContact C-O 3.54Å; I296-E321 CarbonylContact O-C 3.4Å; I296-I322 HydrophobicContact CB-CD1 4.42Å; I296-I322 HydrophobicContact CG2-CD1 4.27Å; I296-I322 VanDerWaalsContact O-CA 3.32Å; I296-I322 WeakPolarHBondContact O-CA 3.48Å; I296-I322 WeakPolarHBondContact O-CD1 3.45Å; I296-I322 PolarHBondContact O-N 3.5Å
297	G	91.3	Very high	83.9	Confident	17 Å²	17	34.3 Å²	34.3	18%	0.175	17%	0.174	C	C	.	.			trans	-84.5	-50.4	170.9	0	0	0	0	0	111	A274 Q295 E321 D323 N328	A274-G297 PolarHBondContact O-N 3.41Å; Q295-G297 PolarHBondContact O-N 3.38Å; G297-E321 WeakPolarHBondContact CA-O 3.08Å; G297-D323 VanDerWaalsContact O-CB 3.27Å; G297-D323 WeakPolarHBondContact O-CB 3.29Å; G297-D323 PolarHBondContact O-N 3.12Å; G297-N328 PolarHBondContact O-ND2 3.47Å; G297-N328 VanDerWaalsContact O-ND2 3.1Å
298	H	91	Very high	82.2	Confident	14 Å²	14	38.1 Å²	38.1	7%	0.065	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	-173.5	-174	-79.2	0	0	0	112.4	S275 V276 H377 L379 D380	S275-H298 VanDerWaalsContact CA-O 3.27Å; S275-H298 WeakPolarHBondContact CA-O 3.48Å; V276-H298 PolarHBondContact N-O 3.12Å; H298-H377 AromaticContact CD2-CE1 3.7Å; H298-H377 AromaticContact CD2-CG 3.87Å; H298-H377 AromaticContact CD2-ND1 3.39Å; H298-H377 PolarHBondContact CD2-ND1 3.02Å; H298-H377 AromaticContact CE1-ND1 3.53Å; H298-H377 AromaticContact NE2-CE1 3.77Å; H298-H377 AromaticContact NE2-CG 3.34Å; H298-H377 VanDerWaalsContact NE2-CG 3.34Å; H298-H377 AromaticContact NE2-ND1 2.98Å; H298-H377 PolarHBondContact NE2-ND1 3.31Å; H298-L379 HydrophobicContact CB-CD1 4.03Å; H298-L379 WeakPolarHBondContact ND1-CD1 3.1Å; H298-D380 IonicContact CE1-OD1 2.9Å
299	I	89.9	Confident	80.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125	169.5	-61.3	179.6	0	0	0	107.1	I296 A303 F304 I317 I322 N328 W330	I296-I299 HydrophobicContact CG2-CD1 3.91Å; I296-I299 HydrophobicContact CG2-CG1 3.47Å; I296-I299 VanDerWaalsContact CG2-CG1 3.47Å; I299-A303 HydrophobicContact CG2-CB 3.54Å; I299-F304 HydrophobicContact CD1-CE2 4.04Å; I299-F304 HydrophobicContact CD1-CZ 4.31Å; I299-F304 HydrophobicContact CG2-CD2 4.05Å; I299-F304 HydrophobicContact CG2-CE2 3.47Å; I299-F304 VanDerWaalsContact CG2-CE2 3.47Å; I299-F304 HydrophobicContact CG2-CZ 4.12Å; I299-I317 HydrophobicContact CD1-CD1 4.12Å; I299-I322 HydrophobicContact CD1-CD1 4.33Å; I299-N328 PolarHBondContact O-OD1 3.14Å; I299-W330 HydrophobicContact CB-CB 3.91Å; I299-W330 HydrophobicContact CB-CD2 3.98Å; I299-W330 HydrophobicContact CB-CE3 4.02Å; I299-W330 HydrophobicContact CB-CG 3.93Å; I299-W330 HydrophobicContact CD1-CD2 3.95Å; I299-W330 HydrophobicContact CD1-CE3 3.7Å; I299-W330 HydrophobicContact CD1-CH2 4.09Å; I299-W330 HydrophobicContact CD1-CZ2 4.34Å; I299-W330 HydrophobicContact CD1-CZ3 3.78Å; I299-W330 HydrophobicContact CG1-CE3 4.28Å; I299-W330 HydrophobicContact CG2-CB 3.75Å; I299-W330 HydrophobicContact CG2-CD2 3.89Å; I299-W330 HydrophobicContact CG2-CE3 4.43Å; I299-W330 HydrophobicContact CG2-CG 3.54Å; I299-W330 WeakPolarHBondContact O-CB 3.22Å
300	A	83.7	Confident	78.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.			trans	-58.4	141.7	177.3	0	0	0	0	0	110.8	V276 F302 A303 D380	V276-A300 PolarHBondContact O-N 2.9Å; A300-F302 PolarHBondContact O-N 3.44Å; A300-A303 HydrophobicContact CB-CB 4.23Å; A300-A303 WeakPolarHBondContact O-CB 3.49Å; A300-A303 PolarHBondContact O-N 2.84Å; A300-D380 VanDerWaalsContact CA-OD1 3.23Å; A300-D380 WeakPolarHBondContact CA-OD1 3.39Å
301	R	78.8	Confident	76.8	Confident	36 Å²	36	47.1 Å²	47.1	14%	0.136	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-37	-176	-179.1	179.2	178.6	173.1	3.3	113.3	Y333 D380	R301-Y333 HydrophobicContact CG-CD2 4.08Å; R301-Y333 HydrophobicContact CG-CE2 4.37Å; R301-Y333 PolarHBondContact NH2-OH 2.97Å; R301-D380 HydrophobicContact CB-CB 4.36Å; R301-D380 PolarHBondContact N-OD1 3.47Å
302	F	74.4	Confident	75.2	Confident	55 Å²	55	47.5 Å²	47.5	24%	0.241	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	16.3	-178.9	-56.2	-55.8	0	0	0	113.3	N278 A300 F304 K305	N278-F302 VanDerWaalsContact OD1-C 3.27Å; A300-F302 PolarHBondContact O-N 3.44Å; F302-F304 PolarHBondContact O-N 2.77Å; F302-K305 HydrophobicContact CB-CB 3.86Å; F302-K305 HydrophobicContact CB-CD 4.24Å; F302-K305 HydrophobicContact CD1-CB 4.16Å; F302-K305 HydrophobicContact CD1-CD 3.83Å; F302-K305 HydrophobicContact CD1-CG 4.23Å; F302-K305 HydrophobicContact CE1-CD 4.5Å; F302-K305 HydrophobicContact CG-CB 4.43Å; F302-K305 HydrophobicContact CG-CD 4.16Å; F302-K305 PolarHBondContact O-N 2.98Å
303	A	76.8	Confident	73.8	Confident	2 Å²	2	56.8 Å²	56.8	2%	0.017	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.3	177.2	0	0	0	0	0	112.5	V276 R277 N278 I299 A300	V276-A303 HydrophobicContact CG1-CB 4.17Å; R277-A303 WeakPolarHBondContact O-CA 3.44Å; R277-A303 VanDerWaalsContact O-CB 3.23Å; R277-A303 WeakPolarHBondContact O-CB 3.49Å; N278-A303 PolarHBondContact OD1-N 3.05Å; I299-A303 HydrophobicContact CG2-CB 3.54Å; A300-A303 HydrophobicContact CB-CB 4.23Å; A300-A303 WeakPolarHBondContact O-CB 3.49Å; A300-A303 PolarHBondContact O-N 2.84Å
304	F	74.5	Confident	73.1	Confident	10 Å²	10	54.9 Å²	54.9	4%	0.044	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	28.1	178.3	-41.4	-74.8	0	0	0	112.3	F280 L289 L291 I299 F302 N306 I307 L315 I317 W330	F280-F304 AromaticContact CD2-CD1 3.82Å; F280-F304 HydrophobicContact CD2-CD1 3.82Å; F280-F304 AromaticContact CD2-CE1 3.76Å; F280-F304 HydrophobicContact CD2-CE1 3.76Å; F280-F304 HydrophobicContact CE2-CD1 4.15Å; F280-F304 AromaticContact CE2-CE1 3.59Å; F280-F304 HydrophobicContact CE2-CE1 3.59Å; L289-F304 HydrophobicContact CD2-CD1 3.96Å; L289-F304 HydrophobicContact CD2-CE1 3.72Å; L291-F304 HydrophobicContact CD1-CE1 4.28Å; L291-F304 HydrophobicContact CD1-CZ 3.91Å; I299-F304 HydrophobicContact CD1-CE2 4.04Å; I299-F304 HydrophobicContact CD1-CZ 4.31Å; I299-F304 HydrophobicContact CG2-CD2 4.05Å; I299-F304 HydrophobicContact CG2-CE2 3.47Å; I299-F304 VanDerWaalsContact CG2-CE2 3.47Å; I299-F304 HydrophobicContact CG2-CZ 4.12Å; F302-F304 PolarHBondContact O-N 2.77Å; F304-N306 PolarHBondContact O-N 3.1Å; F304-N306 VanDerWaalsContact O-N 3.16Å; F304-I307 HydrophobicContact CB-CB 3.76Å; F304-I307 HydrophobicContact CB-CD1 3.87Å; F304-I307 HydrophobicContact CB-CG1 3.98Å; F304-I307 HydrophobicContact CB-CG2 4.25Å; F304-I307 HydrophobicContact CD1-CD1 4.11Å; F304-I307 VanDerWaalsContact O-CB 3.25Å; F304-I307 WeakPolarHBondContact O-CB 3.45Å; F304-I307 WeakPolarHBondContact O-CG1 3.35Å; F304-I307 PolarHBondContact O-N 2.85Å; F304-L315 HydrophobicContact CD1-CD1 4.34Å; F304-L315 HydrophobicContact CD2-CD2 4.29Å; F304-L315 HydrophobicContact CE1-CD1 4.02Å; F304-L315 HydrophobicContact CE2-CD2 4.39Å; F304-L315 HydrophobicContact CG-CD2 4.34Å; F304-L315 HydrophobicContact CZ-CD1 4.28Å; F304-I317 HydrophobicContact CE2-CD1 3.88Å; F304-I317 HydrophobicContact CZ-CD1 3.9Å; F304-W330 AromaticContact CD2-CD1 3.49Å; F304-W330 VanDerWaalsContact CD2-CD1 3.49Å; F304-W330 HydrophobicContact CD2-CG 4.4Å; F304-W330 AromaticContact CD2-NE1 3.23Å; F304-W330 AromaticContact CE2-CD1 3.88Å; F304-W330 HydrophobicContact CE2-CD2 4.4Å; F304-W330 AromaticContact CE2-CE2 3.79Å; F304-W330 HydrophobicContact CE2-CG 4.44Å; F304-W330 HydrophobicContact CE2-CZ2 4.26Å; F304-W330 AromaticContact CE2-NE1 3.46Å
305	K	63.6	Low	72.6	Confident	135 Å²	135	56.4 Å²	56.4	59%	0.587	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	126.2	173	-174.2	-179.6	178.6	-175.5	0	107.8	F302	F302-K305 HydrophobicContact CB-CB 3.86Å; F302-K305 HydrophobicContact CB-CD 4.24Å; F302-K305 HydrophobicContact CD1-CB 4.16Å; F302-K305 HydrophobicContact CD1-CD 3.83Å; F302-K305 HydrophobicContact CD1-CG 4.23Å; F302-K305 HydrophobicContact CE1-CD 4.5Å; F302-K305 HydrophobicContact CG-CB 4.43Å; F302-K305 HydrophobicContact CG-CD 4.16Å; F302-K305 PolarHBondContact O-N 2.98Å
306	N	54.1	Low	72.4	Confident	87 Å²	87	53.8 Å²	53.8	47%	0.465	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	15.7	-169	-49.8	-16.5	0	0	0	116.8	F304 G309 E311	F304-N306 PolarHBondContact O-N 3.1Å; F304-N306 VanDerWaalsContact O-N 3.16Å; N306-G309 VanDerWaalsContact C-N 3.31Å; N306-G309 CarbonylContact O-C 3.59Å; N306-G309 WeakPolarHBondContact O-CA 3.27Å; N306-G309 PolarHBondContact O-N 2.83Å; N306-E311 WeakPolarHBondContact CB-OE2 3.32Å; N306-E311 PolarHBondContact ND2-OE2 3.39Å; N306-E311 VanDerWaalsContact ND2-OE2 3.15Å
307	I	52.9	Low	72.2	Confident	19 Å²	19	53.8 Å²	53.8	10%	0.097	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	114.7	178.9	-44.6	-171.8	0	0	0	107.9	F280 F304 V312 L315	F280-I307 HydrophobicContact CB-CD1 4.48Å; F304-I307 HydrophobicContact CB-CB 3.76Å; F304-I307 HydrophobicContact CB-CD1 3.87Å; F304-I307 HydrophobicContact CB-CG1 3.98Å; F304-I307 HydrophobicContact CB-CG2 4.25Å; F304-I307 HydrophobicContact CD1-CD1 4.11Å; F304-I307 VanDerWaalsContact O-CB 3.25Å; F304-I307 WeakPolarHBondContact O-CB 3.45Å; F304-I307 WeakPolarHBondContact O-CG1 3.35Å; F304-I307 PolarHBondContact O-N 2.85Å; I307-V312 HydrophobicContact CB-CB 4.07Å; I307-V312 HydrophobicContact CB-CG2 3.87Å; I307-V312 HydrophobicContact CD1-CB 4.48Å; I307-V312 HydrophobicContact CD1-CG2 3.52Å; I307-V312 HydrophobicContact CG1-CB 4.17Å; I307-V312 HydrophobicContact CG1-CG2 3.39Å; I307-V312 HydrophobicContact CG2-CB 3.45Å; I307-V312 VanDerWaalsContact CG2-CB 3.45Å; I307-V312 HydrophobicContact CG2-CG1 3.68Å; I307-V312 HydrophobicContact CG2-CG2 3.66Å; I307-L315 HydrophobicContact CG2-CB 4.25Å; I307-L315 HydrophobicContact CG2-CD2 4.3Å
308	P	49	Very low	72.4	Confident	107 Å²	107	53 Å²	53	70%	0.695	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.1	77.1	-1.5	35.1	-28.3	0	0	0	110.6
309	G	48.6	Very low	72.6	Confident	35 Å²	35	54.8 Å²	54.8	36%	0.361	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	177	148.5	0	0	0	0	0	108.2	N306 E311 V312	N306-G309 VanDerWaalsContact C-N 3.31Å; N306-G309 CarbonylContact O-C 3.59Å; N306-G309 WeakPolarHBondContact O-CA 3.27Å; N306-G309 PolarHBondContact O-N 2.83Å; G309-E311 PolarHBondContact O-N 2.81Å; G309-V312 PolarHBondContact O-N 2.81Å; G309-V312 VanDerWaalsContact O-N 3.1Å
310	D	53.1	Low	72.9	Confident	173 Å²	173	54.9 Å²	54.9	93%	0.925	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-10.3	-176.2	-58.4	-42.9	0	0	0	116
311	E	58.2	Low	73.5	Confident	71 Å²	71	59.1 Å²	59.1	33%	0.332	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-22.6	-177.4	-58.8	179.6	170.9	0	0	114.3	N285 V286 N306 G309	N285-E311 CarbonylContact C-O 3.51Å; N285-E311 VanDerWaalsContact CA-O 3.32Å; N285-E311 WeakPolarHBondContact CA-O 3.41Å; N285-E311 PolarHBondContact N-O 3.16Å; V286-E311 PolarHBondContact N-O 2.83Å; N306-E311 WeakPolarHBondContact CB-OE2 3.32Å; N306-E311 PolarHBondContact ND2-OE2 3.39Å; N306-E311 VanDerWaalsContact ND2-OE2 3.15Å; G309-E311 PolarHBondContact O-N 2.81Å
312	V	61.9	Low	74.2	Confident	8 Å²	8	57.4 Å²	57.4	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	120.1	179.2	-173.9	0	0	0	0	114.8	V286 I307 G309	V286-V312 HydrophobicContact CB-CB 4.01Å; V286-V312 HydrophobicContact CB-CG1 3.8Å; V286-V312 HydrophobicContact CB-CG2 3.52Å; V286-V312 HydrophobicContact CG1-CG1 3.86Å; V286-V312 HydrophobicContact CG1-CG2 4.28Å; V286-V312 HydrophobicContact CG2-CG2 3.6Å; V286-V312 CarbonylContact O-C 3.59Å; V286-V312 WeakPolarHBondContact O-CA 3.41Å; I307-V312 HydrophobicContact CB-CB 4.07Å; I307-V312 HydrophobicContact CB-CG2 3.87Å; I307-V312 HydrophobicContact CD1-CB 4.48Å; I307-V312 HydrophobicContact CD1-CG2 3.52Å; I307-V312 HydrophobicContact CG1-CB 4.17Å; I307-V312 HydrophobicContact CG1-CG2 3.39Å; I307-V312 HydrophobicContact CG2-CB 3.45Å; I307-V312 VanDerWaalsContact CG2-CB 3.45Å; I307-V312 HydrophobicContact CG2-CG1 3.68Å; I307-V312 HydrophobicContact CG2-CG2 3.66Å; G309-V312 PolarHBondContact O-N 2.81Å; G309-V312 VanDerWaalsContact O-N 3.1Å
313	Y	67	Low	75.1	Confident	216 Å²	216	55.5 Å²	55.5	85%	0.847	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	-31.9	-172.1	-150.6	-88.7	0	0	0	113.9	V286 G287	V286-Y313 PolarHBondContact O-N 3.46Å; G287-Y313 CarbonylContact O-C 2.96Å; G287-Y313 WeakPolarHBondContact O-CB 3.36Å; G287-Y313 PolarHBondContact O-N 2.89Å
314	S	81.8	Confident	75.9	Confident	48 Å²	48	55.4 Å²	55.4	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	121.2	-178.4	-178.6	0	0	0	0	112	G287 K288 L289	G287-S314 PolarHBondContact O-N 2.78Å; K288-S314 CarbonylContact C-O 3.45Å; K288-S314 WeakPolarHBondContact CA-O 3.28Å; L289-S314 PolarHBondContact N-O 3.42Å
315	L	85.3	Confident	76.6	Confident	39 Å²	39	55.9 Å²	55.9	20%	0.204	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.7	169.8	176.4	63.7	0	0	0	108.9	L289 F304 I307 I317	L289-L315 HydrophobicContact CB-CD1 4.08Å; L289-L315 HydrophobicContact CD2-CD1 3.9Å; L289-L315 HydrophobicContact CG-CD1 3.92Å; F304-L315 HydrophobicContact CD1-CD1 4.34Å; F304-L315 HydrophobicContact CD2-CD2 4.29Å; F304-L315 HydrophobicContact CE1-CD1 4.02Å; F304-L315 HydrophobicContact CE2-CD2 4.39Å; F304-L315 HydrophobicContact CG-CD2 4.34Å; F304-L315 HydrophobicContact CZ-CD1 4.28Å; I307-L315 HydrophobicContact CG2-CB 4.25Å; I307-L315 HydrophobicContact CG2-CD2 4.3Å; L315-I317 HydrophobicContact CD1-CD1 4.23Å; L315-I317 HydrophobicContact CD1-CG1 4.08Å; L315-I317 HydrophobicContact CD2-CD1 4.17Å; L315-I317 HydrophobicContact CG-CD1 4.26Å; L315-I317 HydrophobicContact CG-CG1 4.24Å
316	K	89.1	Confident	77.8	Confident	57 Å²	57	50.9 Å²	50.9	25%	0.248	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.9	176.5	-175.9	173.5	-177.1	156.7	0	110.2	L289 E290 L291 L292 D341	L289-K316 PolarHBondContact O-N 2.77Å; E290-K316 CarbonylContact C-O 3.48Å; E290-K316 WeakPolarHBondContact CA-O 3.11Å; E290-K316 HydrophobicContact CG-CB 4.34Å; L291-K316 PolarHBondContact N-O 3.01Å; L292-K316 HydrophobicContact CD2-CD 3.97Å; L292-K316 HydrophobicContact CD2-CG 3.95Å; K316-D341 WeakPolarHBondContact CE-OD2 3.18Å; K316-D341 IonicContact NZ-OD2 3Å; K316-D341 PolarHBondContact NZ-OD2 3.28Å
317	I	91.7	Very high	79.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115	175.7	-58.8	172.8	0	0	0	106.3	L291 I299 F304 L315 N320 W330 T342 N346	L291-I317 HydrophobicContact CB-CG1 4.4Å; L291-I317 HydrophobicContact CD1-CG1 4.33Å; I299-I317 HydrophobicContact CD1-CD1 4.12Å; F304-I317 HydrophobicContact CE2-CD1 3.88Å; F304-I317 HydrophobicContact CZ-CD1 3.9Å; L315-I317 HydrophobicContact CD1-CD1 4.23Å; L315-I317 HydrophobicContact CD1-CG1 4.08Å; L315-I317 HydrophobicContact CD2-CD1 4.17Å; L315-I317 HydrophobicContact CG-CD1 4.26Å; L315-I317 HydrophobicContact CG-CG1 4.24Å; I317-N320 WeakPolarHBondContact CG2-ND2 3.38Å; I317-W330 HydrophobicContact CD1-CH2 3.67Å; I317-W330 HydrophobicContact CD1-CZ2 3.41Å; I317-W330 VanDerWaalsContact CD1-CZ2 3.41Å; I317-T342 HydrophobicContact CB-CG2 4.22Å; I317-T342 WeakPolarHBondContact O-CA 3.17Å; I317-T342 PolarHBondContact O-OG1 2.98Å; I317-N346 PolarHBondContact O-ND2 3.1Å
318	A	95	Very high	81	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.2	-176.4	0	0	0	0	0	112	L291 L292 N293 N320 R345	L291-A318 PolarHBondContact O-N 3.24Å; L292-A318 CarbonylContact C-O 3.3Å; L292-A318 WeakPolarHBondContact CA-O 3.21Å; L292-A318 HydrophobicContact CD2-CB 3.87Å; N293-A318 PolarHBondContact N-O 3.24Å; A318-N320 PolarHBondContact N-ND2 2.75Å; A318-N320 PolarHBondContact O-ND2 2.86Å; A318-R345 HydrophobicContact CB-CB 3.84Å
319	D	96.1	Very high	82.5	Confident	52 Å²	52	48.4 Å²	48.4	28%	0.278	24%	0.24	S	C	.	.	S	Bend	trans	59	48.2	179.5	-35.7	-57.8	0	0	0	111.9	N293 N294 R345 N346	N293-D319 WeakPolarHBondContact CA-O 3.3Å; N293-D319 HydrophobicContact CB-CB 4.24Å; N294-D319 PolarHBondContact N-O 3.27Å; D319-R345 WeakPolarHBondContact CA-O 3.06Å; D319-R345 VanDerWaalsContact CG-NH2 3.33Å; D319-R345 PolarHBondContact N-O 3.05Å; D319-R345 IonicContact OD1-CZ 3.22Å; D319-R345 IonicContact OD1-NE 3.96Å; D319-R345 PolarHBondContact OD1-NE 3.06Å; D319-R345 IonicContact OD1-NH2 2.67Å; D319-R345 PolarHBondContact OD1-NH2 3.16Å; D319-R345 IonicContact OD2-CZ 3.83Å; D319-R345 VanDerWaalsContact OD2-CZ 3.3Å; D319-R345 IonicContact OD2-NE 3.18Å; D319-R345 IonicContact OD2-NH2 3.32Å; D319-R345 PolarHBondContact OD2-NH2 2.86Å; D319-N346 PolarHBondContact N-OD1 3.28Å
320	N	95.9	Very high	84.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	22%	0.224	C	C	.	.			trans	-120.8	164.9	173.6	-56.1	-88.5	0	0	0	112.1	L291 N294 I296 I317 A318 I322 N346 Y347	L291-N320 PolarHBondContact O-ND2 2.57Å; N294-N320 WeakPolarHBondContact CA-OD1 3.12Å; N294-N320 WeakPolarHBondContact CB-OD1 3.35Å; N294-N320 PolarHBondContact N-OD1 3Å; N294-N320 PolarHBondContact O-OD1 3.06Å; I296-N320 HydrophobicContact CB-CB 4.21Å; I296-N320 WeakPolarHBondContact CD1-OD1 3.26Å; I296-N320 WeakPolarHBondContact CG1-OD1 3.32Å; I317-N320 WeakPolarHBondContact CG2-ND2 3.38Å; A318-N320 PolarHBondContact N-ND2 2.75Å; A318-N320 PolarHBondContact O-ND2 2.86Å; N320-I322 HydrophobicContact CB-CD1 4.14Å; N320-I322 HydrophobicContact CB-CG1 4.38Å; N320-N346 WeakPolarHBondContact CA-OD1 3.31Å; N320-N346 WeakPolarHBondContact CB-OD1 3.23Å; N320-N346 PolarHBondContact N-OD1 2.92Å; N320-N346 PolarHBondContact ND2-OD1 3.32Å; N320-N346 WeakPolarHBondContact O-CA 3.17Å; N320-Y347 PolarHBondContact O-N 2.66Å
321	E	94.9	Very high	85.9	Confident	89 Å²	89	38.8 Å²	38.8	42%	0.416	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	77.8	178.3	-61.5	-176.5	-165	0	0	111.7	I296 G297 Y347 S349	I296-E321 CarbonylContact C-O 3.54Å; I296-E321 CarbonylContact O-C 3.4Å; G297-E321 WeakPolarHBondContact CA-O 3.08Å; E321-Y347 CarbonylContact C-O 3.34Å; E321-Y347 VanDerWaalsContact CA-O 3.28Å; E321-Y347 WeakPolarHBondContact CA-O 3.44Å; E321-S349 VanDerWaalsContact O-CB 3.3Å; E321-S349 WeakPolarHBondContact O-CB 3.24Å; E321-S349 PolarHBondContact O-OG 2.86Å
322	I	94.6	Very high	87.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.8	-171.1	-55.3	-73.4	0	0	0	111.4	I296 I299 N320 C324 W330 L331 N346 Y347 C348 S349	I296-I322 HydrophobicContact CB-CD1 4.42Å; I296-I322 HydrophobicContact CG2-CD1 4.27Å; I296-I322 VanDerWaalsContact O-CA 3.32Å; I296-I322 WeakPolarHBondContact O-CA 3.48Å; I296-I322 WeakPolarHBondContact O-CD1 3.45Å; I296-I322 PolarHBondContact O-N 3.5Å; I299-I322 HydrophobicContact CD1-CD1 4.33Å; N320-I322 HydrophobicContact CB-CD1 4.14Å; N320-I322 HydrophobicContact CB-CG1 4.38Å; I322-C324 PolarHBondContact O-N 3.05Å; I322-W330 HydrophobicContact CD1-CZ3 4.41Å; I322-L331 HydrophobicContact CG2-CD2 4.18Å; I322-N346 HydrophobicContact CG1-CB 3.99Å; I322-Y347 PolarHBondContact N-O 3.42Å; I322-C348 CarbonylContact O-C 3.52Å; I322-C348 WeakPolarHBondContact O-CA 3.48Å; I322-S349 PolarHBondContact O-N 3.01Å; I322-S349 PolarHBondContact O-OG 2.03Å
323	D	93.4	Very high	87.9	Confident	15 Å²	15	39.3 Å²	39.3	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	105.4	165.5	179.4	-1.6	0	0	0	108.2	G297 S325 N328 S349 L350	G297-D323 VanDerWaalsContact O-CB 3.27Å; G297-D323 WeakPolarHBondContact O-CB 3.29Å; G297-D323 PolarHBondContact O-N 3.12Å; D323-S325 VanDerWaalsContact C-N 3.26Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 WeakPolarHBondContact OD1-CA 3.32Å; D323-S325 WeakPolarHBondContact OD1-CB 3.48Å; D323-S325 PolarHBondContact OD1-N 2.76Å; D323-S325 PolarHBondContact OD1-OG 3.03Å; D323-S325 PolarHBondContact OD2-OG 3.15Å; D323-N328 HydrophobicContact CB-CB 4.47Å; D323-N328 WeakPolarHBondContact O-CB 3.46Å; D323-N328 PolarHBondContact O-ND2 2.72Å; D323-S349 PolarHBondContact N-OG 2.87Å; D323-L350 HydrophobicContact CB-CB 4.33Å; D323-L350 WeakPolarHBondContact OD1-CB 3.47Å
324	C	92.7	Very high	88.6	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.007	15%	0.15	C	C	.	.			trans	-87.7	10.6	178.6	-62.1	0	0	0	0	112.4	I322 L331 C348 L350 L354 I362 Y366	I322-C324 PolarHBondContact O-N 3.05Å; C324-L331 HydrophobicContact CB-CD2 4.18Å; C324-C348 HydrophobicContact CB-CB 3.68Å; C324-C348 WeakPolarHBondContact CB-SG 3.44Å; C324-C348 WeakPolarHBondContact SG-CA 3.39Å; C324-C348 WeakPolarHBondContact SG-CB 2.97Å; C324-C348 CovalentContact SG-SG 2.03Å; C324-C348 PolarHBondContact SG-SG 2.96Å; C324-L350 CarbonylContact C-O 3.57Å; C324-L350 WeakPolarHBondContact CA-O 3Å; C324-L350 VanDerWaalsContact CB-O 3.32Å; C324-L350 WeakPolarHBondContact CB-O 3Å; C324-L350 PolarHBondContact N-O 3.42Å; C324-L354 HydrophobicContact CB-CD1 4.15Å; C324-I362 HydrophobicContact CB-CD1 4.43Å; C324-I362 HydrophobicContact CB-CG2 4.34Å; C324-Y366 WeakPolarHBondContact O-CE1 3.17Å; C324-Y366 PolarHBondContact O-OH 3.37Å
325	S	90.1	Very high	88.8	Confident	19 Å²	19	29.5 Å²	29.5	13%	0.133	14%	0.137	C	C	.	.	S	Bend	trans	-70.9	165.1	171.4	77.8	0	0	0	0	111.4	D323 R327 N328 L350 Y366	D323-S325 VanDerWaalsContact C-N 3.26Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 WeakPolarHBondContact OD1-CA 3.32Å; D323-S325 WeakPolarHBondContact OD1-CB 3.48Å; D323-S325 PolarHBondContact OD1-N 2.76Å; D323-S325 PolarHBondContact OD1-OG 3.03Å; D323-S325 PolarHBondContact OD2-OG 3.15Å; S325-R327 PolarHBondContact O-N 3.26Å; S325-R327 WeakPolarHBondContact OG-CB 2.85Å; S325-R327 PolarHBondContact OG-N 2.9Å; S325-N328 PolarHBondContact O-N 3.14Å; S325-L350 PolarHBondContact N-O 2.9Å; S325-Y366 WeakPolarHBondContact CA-OH 3.32Å
326	C	88	Confident	88.6	Confident	31 Å²	31	33.9 Å²	33.9	21%	0.209	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	12.6	173.4	-48.3	0	0	0	0	113.7	C370 Y374	C326-C370 WeakPolarHBondContact CA-SG 3.42Å; C326-C370 HydrophobicContact CB-CB 3.58Å; C326-C370 WeakPolarHBondContact CB-SG 3.47Å; C326-C370 WeakPolarHBondContact SG-CA 3.1Å; C326-C370 WeakPolarHBondContact SG-CB 3.02Å; C326-C370 CovalentContact SG-SG 2.05Å; C326-C370 PolarHBondContact SG-SG 2.59Å; C326-Y374 WeakPolarHBondContact O-CD2 3.22Å
327	R	86.2	Confident	88.3	Confident	161 Å²	161	35.2 Å²	35.2	61%	0.608	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-25.4	172.6	-62.6	-178.9	177.8	-173.9	0.6	112.4	S325 G329	S325-R327 PolarHBondContact O-N 3.26Å; S325-R327 WeakPolarHBondContact OG-CB 2.85Å; S325-R327 PolarHBondContact OG-N 2.9Å; R327-G329 PolarHBondContact O-N 3.18Å
328	N	88	Confident	87.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-81.4	85.8	177.5	-169.5	-31.4	0	0	0	109.7	G297 I299 D323 S325 W330 L331 V332	G297-N328 PolarHBondContact O-ND2 3.47Å; G297-N328 VanDerWaalsContact O-ND2 3.1Å; I299-N328 PolarHBondContact O-OD1 3.14Å; D323-N328 HydrophobicContact CB-CB 4.47Å; D323-N328 WeakPolarHBondContact O-CB 3.46Å; D323-N328 PolarHBondContact O-ND2 2.72Å; S325-N328 PolarHBondContact O-N 3.14Å; N328-W330 PolarHBondContact O-N 3.05Å; N328-L331 HydrophobicContact CB-CB 4.26Å; N328-L331 PolarHBondContact O-N 2.83Å; N328-L331 VanDerWaalsContact O-N 3.13Å; N328-L331 PolarHBondContact OD1-N 2.77Å; N328-V332 WeakPolarHBondContact O-CG2 3.46Å; N328-V332 PolarHBondContact O-N 2.86Å; N328-V332 VanDerWaalsContact O-N 3.17Å
329	G	81.9	Confident	87.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-38	-175.5	0	0	0	0	0	112.5	R327 L331 V332 Y333	R327-G329 PolarHBondContact O-N 3.18Å; G329-L331 VanDerWaalsContact C-N 3.31Å; G329-L331 PolarHBondContact O-N 2.91Å; G329-V332 PolarHBondContact O-N 3.11Å; G329-Y333 WeakPolarHBondContact O-CD2 3.32Å; G329-Y333 PolarHBondContact O-N 2.82Å
330	W	85.6	Confident	87.1	Confident	5 Å²	5	41 Å²	41	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-54.6	-48.6	175.8	167.8	77.3	0	0	0	111.5	I299 F304 I317 I322 N328 N334 L338	I299-W330 HydrophobicContact CB-CB 3.91Å; I299-W330 HydrophobicContact CB-CD2 3.98Å; I299-W330 HydrophobicContact CB-CE3 4.02Å; I299-W330 HydrophobicContact CB-CG 3.93Å; I299-W330 HydrophobicContact CD1-CD2 3.95Å; I299-W330 HydrophobicContact CD1-CE3 3.7Å; I299-W330 HydrophobicContact CD1-CH2 4.09Å; I299-W330 HydrophobicContact CD1-CZ2 4.34Å; I299-W330 HydrophobicContact CD1-CZ3 3.78Å; I299-W330 HydrophobicContact CG1-CE3 4.28Å; I299-W330 HydrophobicContact CG2-CB 3.75Å; I299-W330 HydrophobicContact CG2-CD2 3.89Å; I299-W330 HydrophobicContact CG2-CE3 4.43Å; I299-W330 HydrophobicContact CG2-CG 3.54Å; I299-W330 WeakPolarHBondContact O-CB 3.22Å; F304-W330 AromaticContact CD2-CD1 3.49Å; F304-W330 VanDerWaalsContact CD2-CD1 3.49Å; F304-W330 HydrophobicContact CD2-CG 4.4Å; F304-W330 AromaticContact CD2-NE1 3.23Å; F304-W330 AromaticContact CE2-CD1 3.88Å; F304-W330 HydrophobicContact CE2-CD2 4.4Å; F304-W330 AromaticContact CE2-CE2 3.79Å; F304-W330 HydrophobicContact CE2-CG 4.44Å; F304-W330 HydrophobicContact CE2-CZ2 4.26Å; F304-W330 AromaticContact CE2-NE1 3.46Å; I317-W330 HydrophobicContact CD1-CH2 3.67Å; I317-W330 HydrophobicContact CD1-CZ2 3.41Å; I317-W330 VanDerWaalsContact CD1-CZ2 3.41Å; I322-W330 HydrophobicContact CD1-CZ3 4.41Å; N328-W330 PolarHBondContact O-N 3.05Å; W330-N334 VanDerWaalsContact CD1-ND2 3.28Å; W330-N334 WeakPolarHBondContact O-CB 3.33Å; W330-N334 PolarHBondContact O-N 2.75Å; W330-N334 PolarHBondContact O-ND2 2.78Å; W330-L338 HydrophobicContact CH2-CD1 4.15Å; W330-L338 HydrophobicContact CH2-CD2 4.06Å; W330-L338 HydrophobicContact CZ2-CD2 3.71Å
331	L	85.9	Confident	86.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-47.9	-179.9	-178.8	65.4	0	0	0	111.3	I322 C324 N328 G329 Y333 N334 Y335 L338 L359 I362 I367	I322-L331 HydrophobicContact CG2-CD2 4.18Å; C324-L331 HydrophobicContact CB-CD2 4.18Å; N328-L331 HydrophobicContact CB-CB 4.26Å; N328-L331 PolarHBondContact O-N 2.83Å; N328-L331 VanDerWaalsContact O-N 3.13Å; N328-L331 PolarHBondContact OD1-N 2.77Å; G329-L331 VanDerWaalsContact C-N 3.31Å; G329-L331 PolarHBondContact O-N 2.91Å; L331-Y333 VanDerWaalsContact C-N 3.28Å; L331-Y333 PolarHBondContact O-N 3.38Å; L331-N334 PolarHBondContact O-N 2.94Å; L331-Y335 HydrophobicContact CD1-CD2 4.02Å; L331-Y335 WeakPolarHBondContact O-CB 3.32Å; L331-Y335 PolarHBondContact O-N 3.48Å; L331-L338 HydrophobicContact CD1-CD1 3.91Å; L331-L359 HydrophobicContact CD1-CD1 3.6Å; L331-L359 HydrophobicContact CD1-CD2 3.77Å; L331-L359 HydrophobicContact CD1-CG 4.22Å; L331-L359 HydrophobicContact CD2-CD1 3.66Å; L331-L359 HydrophobicContact CG-CD1 4.22Å; L331-I362 HydrophobicContact CD2-CD1 4.24Å; L331-I367 HydrophobicContact CG-CD1 4.49Å
332	V	83.2	Confident	86.6	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-56.4	-43.1	-177.7	174.9	0	0	0	0	111.5	N328 G329 I367 C370	N328-V332 WeakPolarHBondContact O-CG2 3.46Å; N328-V332 PolarHBondContact O-N 2.86Å; N328-V332 VanDerWaalsContact O-N 3.17Å; G329-V332 PolarHBondContact O-N 3.11Å; V332-I367 WeakPolarHBondContact O-CG2 3.5Å; V332-C370 HydrophobicContact CB-CB 4.47Å; V332-C370 HydrophobicContact CG1-CB 3.93Å; V332-C370 HydrophobicContact CG2-CB 3.66Å
333	Y	80.5	Confident	86.4	Confident	83 Å²	83	40.8 Å²	40.8	33%	0.325	21%	0.21	S	C	.	.	H	α-helix	trans	-85.1	-23	-176.2	-68.7	-67.1	0	0	0	114.4	R301 G329 L331 T371 Y374	R301-Y333 HydrophobicContact CG-CD2 4.08Å; R301-Y333 HydrophobicContact CG-CE2 4.37Å; R301-Y333 PolarHBondContact NH2-OH 2.97Å; G329-Y333 WeakPolarHBondContact O-CD2 3.32Å; G329-Y333 PolarHBondContact O-N 2.82Å; L331-Y333 VanDerWaalsContact C-N 3.28Å; L331-Y333 PolarHBondContact O-N 3.38Å; Y333-T371 HydrophobicContact CE1-CG2 4.25Å; Y333-Y374 HydrophobicContact CE2-CD1 4.02Å; Y333-Y374 HydrophobicContact CE2-CE1 4.08Å; Y333-Y374 HydrophobicContact CE2-CG 4.36Å
334	N	81.8	Confident	86.4	Confident	43 Å²	43	43.9 Å²	43.9	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-107.2	-7.6	-175.9	-63.3	-76.7	0	0	0	114.1	W330 L331 N336 S337 L338	W330-N334 VanDerWaalsContact CD1-ND2 3.28Å; W330-N334 WeakPolarHBondContact O-CB 3.33Å; W330-N334 PolarHBondContact O-N 2.75Å; W330-N334 PolarHBondContact O-ND2 2.78Å; L331-N334 PolarHBondContact O-N 2.94Å; N334-N336 PolarHBondContact O-N 2.75Å; N334-S337 PolarHBondContact O-N 2.88Å; N334-S337 PolarHBondContact O-OG 2.6Å; N334-L338 HydrophobicContact CB-CD2 4.22Å; N334-L338 WeakPolarHBondContact O-CG 3.45Å; N334-L338 PolarHBondContact O-N 3.49Å
335	Y	84.6	Confident	86.6	Confident	14 Å²	14	47.6 Å²	47.6	6%	0.055	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-47.6	-42.6	-172.3	-173.8	-96	0	0	0	114.5	L331 S337 L338 L343 L359 R360 I362 R364 I367	L331-Y335 HydrophobicContact CD1-CD2 4.02Å; L331-Y335 WeakPolarHBondContact O-CB 3.32Å; L331-Y335 PolarHBondContact O-N 3.48Å; Y335-S337 VanDerWaalsContact C-N 3.32Å; Y335-S337 PolarHBondContact O-N 3.04Å; Y335-L338 PolarHBondContact O-N 2.81Å; Y335-L343 HydrophobicContact CD2-CD2 4.21Å; Y335-L343 HydrophobicContact CE2-CD2 3.75Å; Y335-L359 HydrophobicContact CD2-CD1 4.46Å; Y335-L359 HydrophobicContact CE2-CD1 4.14Å; Y335-L359 HydrophobicContact CE2-CG 4.08Å; Y335-L359 PolarHBondContact OH-O 2.05Å; Y335-R360 PolarHBondContact OH-O 3.33Å; Y335-I362 HydrophobicContact CD2-CD1 4.07Å; Y335-I362 HydrophobicContact CE2-CD1 3.6Å; Y335-I362 HydrophobicContact CE2-CG1 3.74Å; Y335-R364 HydrophobicContact CE1-CG 4.36Å; Y335-I367 HydrophobicContact CD1-CG1 4.01Å; Y335-I367 HydrophobicContact CD2-CD1 4.17Å; Y335-I367 HydrophobicContact CD2-CG1 3.91Å; Y335-I367 HydrophobicContact CE1-CG1 4.4Å; Y335-I367 HydrophobicContact CE2-CG1 4.31Å; Y335-I367 HydrophobicContact CG-CB 4.49Å; Y335-I367 HydrophobicContact CG-CD1 4.32Å; Y335-I367 HydrophobicContact CG-CG1 3.75Å; Y335-I367 HydrophobicContact CG-CG2 4.36Å
336	N	82.6	Confident	86.9	Confident	132 Å²	132	46.7 Å²	46.7	71%	0.706	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-74.2	-19.4	-177.2	-68.4	-34.7	0	0	0	114.1	N334	N334-N336 PolarHBondContact O-N 2.75Å
337	S	81.9	Confident	87.3	Confident	85 Å²	85	49.5 Å²	49.5	59%	0.594	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-99.3	-6.1	177.5	57.8	0	0	0	0	113.3	N334 Y335	N334-S337 PolarHBondContact O-N 2.88Å; N334-S337 PolarHBondContact O-OG 2.6Å; Y335-S337 VanDerWaalsContact C-N 3.32Å; Y335-S337 PolarHBondContact O-N 3.04Å
338	L	82.6	Confident	87.7	Confident	22 Å²	22	41.9 Å²	41.9	12%	0.115	21%	0.208	C	C	.	.			trans	-65.5	135.9	176.2	-60	-176.8	0	0	0	110.7	W330 L331 N334 Y335 T342 L343 L359	W330-L338 HydrophobicContact CH2-CD1 4.15Å; W330-L338 HydrophobicContact CH2-CD2 4.06Å; W330-L338 HydrophobicContact CZ2-CD2 3.71Å; L331-L338 HydrophobicContact CD1-CD1 3.91Å; N334-L338 HydrophobicContact CB-CD2 4.22Å; N334-L338 WeakPolarHBondContact O-CG 3.45Å; N334-L338 PolarHBondContact O-N 3.49Å; Y335-L338 PolarHBondContact O-N 2.81Å; L338-T342 HydrophobicContact CB-CG2 4.16Å; L338-T342 HydrophobicContact CD1-CG2 4.06Å; L338-T342 HydrophobicContact CD2-CG2 4.25Å; L338-T342 HydrophobicContact CG-CG2 4.37Å; L338-L343 HydrophobicContact CB-CD2 4.13Å; L338-L343 HydrophobicContact CB-CG 4.14Å; L338-L343 HydrophobicContact CD1-CD2 4.24Å; L338-L359 HydrophobicContact CD1-CD2 3.89Å
339	D	86.1	Confident	88.1	Confident	65 Å²	65	43.5 Å²	43.5	35%	0.348	22%	0.219	S	C	.	.			trans	-68.3	163.7	176.4	73	78.3	0	0	0	112	D341 T342 L343	D339-D341 VanDerWaalsContact C-N 3.32Å; D339-D341 PolarHBondContact O-N 2.67Å; D339-D341 VanDerWaalsContact OD1-CA 3.27Å; D339-D341 WeakPolarHBondContact OD1-CA 3.03Å; D339-D341 WeakPolarHBondContact OD1-CB 3.03Å; D339-D341 PolarHBondContact OD1-N 3.21Å; D339-T342 PolarHBondContact O-N 3.27Å; D339-T342 PolarHBondContact OD1-N 2.92Å; D339-T342 PolarHBondContact OD1-OG1 3.13Å; D339-T342 WeakPolarHBondContact OD2-CB 3.34Å; D339-T342 PolarHBondContact OD2-OG1 3.36Å; D339-L343 WeakPolarHBondContact O-CG 3.44Å; D339-L343 PolarHBondContact O-N 3.43Å
340	N	88.8	Confident	88.7	Confident	88 Å²	88	47.9 Å²	47.9	47%	0.471	24%	0.242	S	C	.	.	H	α-helix	trans	-66.8	-29.5	-176.7	-168.2	34.7	0	0	0	113.6	K344	N340-K344 WeakPolarHBondContact ND2-CE 3.21Å; N340-K344 PolarHBondContact ND2-NZ 3.48Å; N340-K344 WeakPolarHBondContact O-CB 3.47Å; N340-K344 WeakPolarHBondContact O-CD 3.34Å; N340-K344 VanDerWaalsContact O-CG 3.23Å; N340-K344 WeakPolarHBondContact O-CG 3.46Å; N340-K344 PolarHBondContact O-N 3.3Å; N340-K344 VanDerWaalsContact O-N 3.11Å; N340-K344 VanDerWaalsContact OD1-CE 3.22Å; N340-K344 WeakPolarHBondContact OD1-CE 3.16Å
341	D	90.2	Very high	89	Confident	55 Å²	55	48.7 Å²	48.7	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-67.8	-47.5	176.1	-157.3	43	0	0	0	109	K316 D339 L343 K344 R345	K316-D341 WeakPolarHBondContact CE-OD2 3.18Å; K316-D341 IonicContact NZ-OD2 3Å; K316-D341 PolarHBondContact NZ-OD2 3.28Å; D339-D341 VanDerWaalsContact C-N 3.32Å; D339-D341 PolarHBondContact O-N 2.67Å; D339-D341 VanDerWaalsContact OD1-CA 3.27Å; D339-D341 WeakPolarHBondContact OD1-CA 3.03Å; D339-D341 WeakPolarHBondContact OD1-CB 3.03Å; D339-D341 PolarHBondContact OD1-N 3.21Å; D341-L343 PolarHBondContact O-N 3.21Å; D341-K344 PolarHBondContact O-N 2.82Å; D341-R345 VanDerWaalsContact CG-CD 3.47Å; D341-R345 VanDerWaalsContact O-CB 3.31Å; D341-R345 WeakPolarHBondContact O-CB 3.44Å; D341-R345 WeakPolarHBondContact O-CG 3.4Å; D341-R345 PolarHBondContact O-N 3.02Å; D341-R345 WeakPolarHBondContact OD1-CD 3.25Å; D341-R345 IonicContact OD1-NH1 3.71Å; D341-R345 IonicContact OD2-NH1 3.17Å; D341-R345 PolarHBondContact OD2-NH1 3.28Å
342	T	89.7	Confident	89.4	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-45	174.7	-64.4	0	0	0	0	111.7	I317 L338 D339 K344 N346	I317-T342 HydrophobicContact CB-CG2 4.22Å; I317-T342 WeakPolarHBondContact O-CA 3.17Å; I317-T342 PolarHBondContact O-OG1 2.98Å; L338-T342 HydrophobicContact CB-CG2 4.16Å; L338-T342 HydrophobicContact CD1-CG2 4.06Å; L338-T342 HydrophobicContact CD2-CG2 4.25Å; L338-T342 HydrophobicContact CG-CG2 4.37Å; D339-T342 PolarHBondContact O-N 3.27Å; D339-T342 PolarHBondContact OD1-N 2.92Å; D339-T342 PolarHBondContact OD1-OG1 3.13Å; D339-T342 WeakPolarHBondContact OD2-CB 3.34Å; D339-T342 PolarHBondContact OD2-OG1 3.36Å; T342-K344 PolarHBondContact O-N 3.22Å; T342-N346 PolarHBondContact O-N 2.91Å; T342-N346 PolarHBondContact O-ND2 3.42Å
343	L	91	Very high	89.8	Confident	27 Å²	27	62.7 Å²	62.7	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-33.1	178.7	-69.7	173.1	0	0	0	113.6	Y335 L338 D339 D341 L359 R360	Y335-L343 HydrophobicContact CD2-CD2 4.21Å; Y335-L343 HydrophobicContact CE2-CD2 3.75Å; L338-L343 HydrophobicContact CB-CD2 4.13Å; L338-L343 HydrophobicContact CB-CG 4.14Å; L338-L343 HydrophobicContact CD1-CD2 4.24Å; D339-L343 WeakPolarHBondContact O-CG 3.44Å; D339-L343 PolarHBondContact O-N 3.43Å; D341-L343 PolarHBondContact O-N 3.21Å; L343-L359 HydrophobicContact CD2-CD2 4.07Å; L343-L359 HydrophobicContact CD2-CG 4.08Å; L343-R360 HydrophobicContact CB-CB 4.06Å; L343-R360 WeakPolarHBondContact O-CB 3.46Å; L343-R360 PolarHBondContact O-N 3.17Å
344	K	94	Very high	90.5	Very high	79 Å²	79	59.6 Å²	59.6	34%	0.343	30%	0.302	S	S	.	.	H	α-helix	trans	-84.9	-33.5	-176.5	-76.6	173	173.5	173.3	0	113.5	N340 D341 T342 Q358	N340-K344 WeakPolarHBondContact ND2-CE 3.21Å; N340-K344 PolarHBondContact ND2-NZ 3.48Å; N340-K344 WeakPolarHBondContact O-CB 3.47Å; N340-K344 WeakPolarHBondContact O-CD 3.34Å; N340-K344 VanDerWaalsContact O-CG 3.23Å; N340-K344 WeakPolarHBondContact O-CG 3.46Å; N340-K344 PolarHBondContact O-N 3.3Å; N340-K344 VanDerWaalsContact O-N 3.11Å; N340-K344 VanDerWaalsContact OD1-CE 3.22Å; N340-K344 WeakPolarHBondContact OD1-CE 3.16Å; D341-K344 PolarHBondContact O-N 2.82Å; T342-K344 PolarHBondContact O-N 3.22Å; K344-Q358 PolarHBondContact O-NE2 2.92Å
345	R	95.8	Very high	91.1	Very high	79 Å²	79	59.5 Å²	59.5	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-98.7	-6.7	-169.4	-66.2	-178.4	66	-176.1	7	114	A318 D319 D341	A318-R345 HydrophobicContact CB-CB 3.84Å; D319-R345 WeakPolarHBondContact CA-O 3.06Å; D319-R345 VanDerWaalsContact CG-NH2 3.33Å; D319-R345 PolarHBondContact N-O 3.05Å; D319-R345 IonicContact OD1-CZ 3.22Å; D319-R345 IonicContact OD1-NE 3.96Å; D319-R345 PolarHBondContact OD1-NE 3.06Å; D319-R345 IonicContact OD1-NH2 2.67Å; D319-R345 PolarHBondContact OD1-NH2 3.16Å; D319-R345 IonicContact OD2-CZ 3.83Å; D319-R345 VanDerWaalsContact OD2-CZ 3.3Å; D319-R345 IonicContact OD2-NE 3.18Å; D319-R345 IonicContact OD2-NH2 3.32Å; D319-R345 PolarHBondContact OD2-NH2 2.86Å; D341-R345 VanDerWaalsContact CG-CD 3.47Å; D341-R345 VanDerWaalsContact O-CB 3.31Å; D341-R345 WeakPolarHBondContact O-CB 3.44Å; D341-R345 WeakPolarHBondContact O-CG 3.4Å; D341-R345 PolarHBondContact O-N 3.02Å; D341-R345 WeakPolarHBondContact OD1-CD 3.25Å; D341-R345 IonicContact OD1-NH1 3.71Å; D341-R345 IonicContact OD2-NH1 3.17Å; D341-R345 PolarHBondContact OD2-NH1 3.28Å
346	N	95.9	Very high	91.6	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	33%	0.332	C	S	.	.			trans	-102.8	145.7	170.6	-60.1	-72.7	0	0	0	110.5	I317 D319 N320 I322 T342 L359	I317-N346 PolarHBondContact O-ND2 3.1Å; D319-N346 PolarHBondContact N-OD1 3.28Å; N320-N346 WeakPolarHBondContact CA-OD1 3.31Å; N320-N346 WeakPolarHBondContact CB-OD1 3.23Å; N320-N346 PolarHBondContact N-OD1 2.92Å; N320-N346 PolarHBondContact ND2-OD1 3.32Å; N320-N346 WeakPolarHBondContact O-CA 3.17Å; I322-N346 HydrophobicContact CG1-CB 3.99Å; T342-N346 PolarHBondContact O-N 2.91Å; T342-N346 PolarHBondContact O-ND2 3.42Å; N346-L359 HydrophobicContact CB-CB 4.41Å; N346-L359 PolarHBondContact O-N 3.47Å
347	Y	96.6	Very high	92.2	Very high	90 Å²	90	63.2 Å²	63.2	35%	0.353	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.6	179.2	-61.9	-94.9	0	0	0	109.1	N320 E321 I322 Q356 K357 Q358	N320-Y347 PolarHBondContact O-N 2.66Å; E321-Y347 CarbonylContact C-O 3.34Å; E321-Y347 VanDerWaalsContact CA-O 3.28Å; E321-Y347 WeakPolarHBondContact CA-O 3.44Å; I322-Y347 PolarHBondContact N-O 3.42Å; Y347-Q356 WeakPolarHBondContact CD1-O 3.12Å; Y347-K357 CarbonylContact C-O 3.52Å; Y347-K357 VanDerWaalsContact CA-O 3.32Å; Y347-K357 WeakPolarHBondContact CA-O 3.32Å; Y347-Q358 HydrophobicContact CD1-CG 3.83Å; Y347-Q358 HydrophobicContact CE1-CG 3.37Å
348	C	96.1	Very high	92.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.1	177.6	-62.6	0	0	0	0	110.7	I322 C324 L354 A355 Q356 K357 I362	I322-C348 CarbonylContact O-C 3.52Å; I322-C348 WeakPolarHBondContact O-CA 3.48Å; C324-C348 HydrophobicContact CB-CB 3.68Å; C324-C348 WeakPolarHBondContact CB-SG 3.44Å; C324-C348 WeakPolarHBondContact SG-CA 3.39Å; C324-C348 WeakPolarHBondContact SG-CB 2.97Å; C324-C348 CovalentContact SG-SG 2.03Å; C324-C348 PolarHBondContact SG-SG 2.96Å; C348-L354 HydrophobicContact CB-CB 4.05Å; C348-L354 VanDerWaalsContact CB-O 3.24Å; C348-L354 WeakPolarHBondContact CB-O 3.31Å; C348-A355 CarbonylContact O-C 3.54Å; C348-A355 WeakPolarHBondContact O-CA 3.27Å; C348-Q356 PolarHBondContact O-N 3Å; C348-K357 PolarHBondContact N-O 3.06Å; C348-I362 WeakPolarHBondContact SG-CG2 3.23Å
349	S	95.7	Very high	93.3	Very high	35 Å²	35	60.6 Å²	60.6	25%	0.245	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-36.6	167.9	46.2	0	0	0	0	111.9	E321 I322 D323	E321-S349 VanDerWaalsContact O-CB 3.3Å; E321-S349 WeakPolarHBondContact O-CB 3.24Å; E321-S349 PolarHBondContact O-OG 2.86Å; I322-S349 PolarHBondContact O-N 3.01Å; I322-S349 PolarHBondContact O-OG 2.03Å; D323-S349 PolarHBondContact N-OG 2.87Å
350	L	93.2	Very high	93.6	Very high	91 Å²	91	63.2 Å²	63.2	48%	0.476	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.9	-179.4	-73.8	172.4	0	0	0	110.6	D323 C324 S325	D323-L350 HydrophobicContact CB-CB 4.33Å; D323-L350 WeakPolarHBondContact OD1-CB 3.47Å; C324-L350 CarbonylContact C-O 3.57Å; C324-L350 WeakPolarHBondContact CA-O 3Å; C324-L350 VanDerWaalsContact CB-O 3.32Å; C324-L350 WeakPolarHBondContact CB-O 3Å; C324-L350 PolarHBondContact N-O 3.42Å; S325-L350 PolarHBondContact N-O 2.9Å
351	P	92.5	Very high	93.7	Very high	23 Å²	23	63.5 Å²	63.5	15%	0.149	30%	0.304	C	S	.	.	S	Bend	cis	-67.9	169.9	-15.2	33.7	-38.3	0	0	0	111.8	Q353 L354 A355	P351-Q353 VanDerWaalsContact C-N 3.27Å; P351-Q353 VanDerWaalsContact CG-CD 3.43Å; P351-Q353 HydrophobicContact CG-CG 4.21Å; P351-Q353 PolarHBondContact O-N 2.91Å; P351-Q353 VanDerWaalsContact O-N 3.14Å; P351-L354 HydrophobicContact CG-CB 4.45Å; P351-L354 HydrophobicContact CG-CD1 4.33Å; P351-L354 HydrophobicContact CG-CG 4.25Å; P351-L354 CarbonylContact O-C 3.44Å; P351-L354 WeakPolarHBondContact O-CA 3.47Å; P351-L354 PolarHBondContact O-N 3.46Å; P351-A355 PolarHBondContact O-N 3.31Å; P351-A355 VanDerWaalsContact O-N 3.11Å
352	E	93.9	Very high	93.6	Very high	171 Å²	171	61.4 Å²	61.4	80%	0.799	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-51.6	-40.1	-174.9	-170.5	178.4	179.4	0	0	113.5	L354 A355	E352-L354 PolarHBondContact O-N 2.82Å; E352-L354 VanDerWaalsContact O-N 3.14Å; E352-A355 VanDerWaalsContact O-CB 3.29Å; E352-A355 WeakPolarHBondContact O-CB 3.19Å; E352-A355 PolarHBondContact O-N 3.19Å
353	Q	93.2	Very high	93.2	Very high	130 Å²	130	62.9 Å²	62.9	61%	0.607	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-65.9	-16.6	178	68.3	-87.6	12.2	0	0	114.9	P351 K357	P351-Q353 VanDerWaalsContact C-N 3.27Å; P351-Q353 VanDerWaalsContact CG-CD 3.43Å; P351-Q353 HydrophobicContact CG-CG 4.21Å; P351-Q353 PolarHBondContact O-N 2.91Å; P351-Q353 VanDerWaalsContact O-N 3.14Å; Q353-K357 WeakPolarHBondContact O-CE 3.33Å; Q353-K357 PolarHBondContact O-NZ 3.4Å
354	L	93.7	Very high	92.8	Very high	18 Å²	18	70.9 Å²	70.9	9%	0.094	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-106.3	-6.7	174.8	-62.5	-174.7	0	0	0	112.4	C324 C348 P351 E352 Q356 K357 I362 Y366	C324-L354 HydrophobicContact CB-CD1 4.15Å; C348-L354 HydrophobicContact CB-CB 4.05Å; C348-L354 VanDerWaalsContact CB-O 3.24Å; C348-L354 WeakPolarHBondContact CB-O 3.31Å; P351-L354 HydrophobicContact CG-CB 4.45Å; P351-L354 HydrophobicContact CG-CD1 4.33Å; P351-L354 HydrophobicContact CG-CG 4.25Å; P351-L354 CarbonylContact O-C 3.44Å; P351-L354 WeakPolarHBondContact O-CA 3.47Å; P351-L354 PolarHBondContact O-N 3.46Å; E352-L354 PolarHBondContact O-N 2.82Å; E352-L354 VanDerWaalsContact O-N 3.14Å; L354-Q356 PolarHBondContact O-N 2.72Å; L354-K357 HydrophobicContact CD2-CD 4.08Å; L354-K357 VanDerWaalsContact O-CB 3.23Å; L354-K357 WeakPolarHBondContact O-CB 3.43Å; L354-K357 WeakPolarHBondContact O-CG 3.06Å; L354-K357 PolarHBondContact O-N 3.01Å; L354-I362 HydrophobicContact CD1-CB 4.21Å; L354-I362 HydrophobicContact CD1-CG2 3.85Å; L354-I362 HydrophobicContact CD2-CG2 4.43Å; L354-Y366 HydrophobicContact CD1-CE1 3.92Å; L354-Y366 HydrophobicContact CD1-CE2 4.22Å
355	A	95.1	Very high	92.5	Very high	41 Å²	41	75.3 Å²	75.3	34%	0.339	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	134.9	-176.1	0	0	0	0	0	111.6	C348 P351 E352 K357	C348-A355 CarbonylContact O-C 3.54Å; C348-A355 WeakPolarHBondContact O-CA 3.27Å; P351-A355 PolarHBondContact O-N 3.31Å; P351-A355 VanDerWaalsContact O-N 3.11Å; E352-A355 VanDerWaalsContact O-CB 3.29Å; E352-A355 WeakPolarHBondContact O-CB 3.19Å; E352-A355 PolarHBondContact O-N 3.19Å; A355-K357 PolarHBondContact O-N 2.66Å
356	Q	94.3	Very high	92.1	Very high	121 Å²	121	74.4 Å²	74.4	57%	0.565	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	6.8	-178.1	-54.1	-60.1	-44	0	0	115.4	Y347 C348 L354	Y347-Q356 WeakPolarHBondContact CD1-O 3.12Å; C348-Q356 PolarHBondContact O-N 3Å; L354-Q356 PolarHBondContact O-N 2.72Å
357	K	95.3	Very high	91.7	Very high	103 Å²	103	74.7 Å²	74.7	45%	0.448	36%	0.357	S	S	.	.			trans	-78.7	140.1	168.5	-64	-175.2	179.9	158.1	0	109.8	Y347 C348 Q353 L354 A355	Y347-K357 CarbonylContact C-O 3.52Å; Y347-K357 VanDerWaalsContact CA-O 3.32Å; Y347-K357 WeakPolarHBondContact CA-O 3.32Å; C348-K357 PolarHBondContact N-O 3.06Å; Q353-K357 WeakPolarHBondContact O-CE 3.33Å; Q353-K357 PolarHBondContact O-NZ 3.4Å; L354-K357 HydrophobicContact CD2-CD 4.08Å; L354-K357 VanDerWaalsContact O-CB 3.23Å; L354-K357 WeakPolarHBondContact O-CB 3.43Å; L354-K357 WeakPolarHBondContact O-CG 3.06Å; L354-K357 PolarHBondContact O-N 3.01Å; A355-K357 PolarHBondContact O-N 2.66Å
358	Q	94.8	Very high	91	Very high	52 Å²	52	73.4 Å²	73.4	24%	0.243	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-59.8	142.6	171.8	-70.1	179.8	-44.5	0	0	110.7	K344 Y347 R360 N361	K344-Q358 PolarHBondContact O-NE2 2.92Å; Y347-Q358 HydrophobicContact CD1-CG 3.83Å; Y347-Q358 HydrophobicContact CE1-CG 3.37Å; Q358-R360 PolarHBondContact O-N 3.3Å; Q358-N361 WeakPolarHBondContact O-CB 3.1Å; Q358-N361 PolarHBondContact O-N 2.91Å
359	L	92.9	Very high	90.5	Very high	1 Å²	1	76.9 Å²	76.9	1%	0.005	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-57.1	-36.5	-178.1	-177.8	64.5	0	0	0	112.2	L331 Y335 L338 L343 N346 N361 I362	L331-L359 HydrophobicContact CD1-CD1 3.6Å; L331-L359 HydrophobicContact CD1-CD2 3.77Å; L331-L359 HydrophobicContact CD1-CG 4.22Å; L331-L359 HydrophobicContact CD2-CD1 3.66Å; L331-L359 HydrophobicContact CG-CD1 4.22Å; Y335-L359 HydrophobicContact CD2-CD1 4.46Å; Y335-L359 HydrophobicContact CE2-CD1 4.14Å; Y335-L359 HydrophobicContact CE2-CG 4.08Å; Y335-L359 PolarHBondContact OH-O 2.05Å; L338-L359 HydrophobicContact CD1-CD2 3.89Å; L343-L359 HydrophobicContact CD2-CD2 4.07Å; L343-L359 HydrophobicContact CD2-CG 4.08Å; N346-L359 HydrophobicContact CB-CB 4.41Å; N346-L359 PolarHBondContact O-N 3.47Å; L359-N361 PolarHBondContact O-N 2.89Å; L359-I362 HydrophobicContact CD1-CD1 3.64Å; L359-I362 WeakPolarHBondContact O-CG1 3.4Å; L359-I362 PolarHBondContact O-N 3.21Å
360	R	92.2	Very high	90.1	Very high	119 Å²	119	75.2 Å²	75.2	45%	0.449	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-53	-25.7	174	-170.6	174.1	65	158.8	-2.1	114.3	Y335 L343 Q358	Y335-R360 PolarHBondContact OH-O 3.33Å; L343-R360 HydrophobicContact CB-CB 4.06Å; L343-R360 WeakPolarHBondContact O-CB 3.46Å; L343-R360 PolarHBondContact O-N 3.17Å; Q358-R360 PolarHBondContact O-N 3.3Å
361	N	91.3	Very high	89.4	Confident	94 Å²	94	74.2 Å²	74.2	50%	0.503	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-97.3	-1.3	-168.7	-61.2	-15.7	0	0	0	114.1	Q358 L359 G363	Q358-N361 WeakPolarHBondContact O-CB 3.1Å; Q358-N361 PolarHBondContact O-N 2.91Å; L359-N361 PolarHBondContact O-N 2.89Å; N361-G363 PolarHBondContact O-N 3.01Å
362	I	87.9	Confident	88.7	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.062	40%	0.398	C	S	.	.	S	Bend	trans	-72.9	-13.1	-179.1	69.1	-175.8	0	0	0	113.3	C324 L331 Y335 C348 L354 L359 Y366 I367	C324-I362 HydrophobicContact CB-CD1 4.43Å; C324-I362 HydrophobicContact CB-CG2 4.34Å; L331-I362 HydrophobicContact CD2-CD1 4.24Å; Y335-I362 HydrophobicContact CD2-CD1 4.07Å; Y335-I362 HydrophobicContact CE2-CD1 3.6Å; Y335-I362 HydrophobicContact CE2-CG1 3.74Å; C348-I362 WeakPolarHBondContact SG-CG2 3.23Å; L354-I362 HydrophobicContact CD1-CB 4.21Å; L354-I362 HydrophobicContact CD1-CG2 3.85Å; L354-I362 HydrophobicContact CD2-CG2 4.43Å; L359-I362 HydrophobicContact CD1-CD1 3.64Å; L359-I362 WeakPolarHBondContact O-CG1 3.4Å; L359-I362 PolarHBondContact O-N 3.21Å; I362-Y366 HydrophobicContact CB-CD1 4.21Å; I362-Y366 HydrophobicContact CD1-CD1 4.32Å; I362-Y366 HydrophobicContact CG1-CD1 4.32Å; I362-Y366 WeakPolarHBondContact O-CB 3.34Å; I362-I367 HydrophobicContact CD1-CD1 3.63Å; I362-I367 HydrophobicContact CD1-CG1 3.98Å; I362-I367 HydrophobicContact CG1-CD1 4.45Å; I362-I367 HydrophobicContact CG1-CG1 4.31Å
363	G	82.3	Confident	88	Confident	33 Å²	33	77.3 Å²	77.3	34%	0.34	39%	0.39	S	S	.	.			trans	81.5	139.6	175.3	0	0	0	0	0	113.4	N361 E365 Y366 I367	N361-G363 PolarHBondContact O-N 3.01Å; G363-E365 VanDerWaalsContact C-N 3.29Å; G363-E365 PolarHBondContact O-N 2.89Å; G363-Y366 PolarHBondContact O-N 3.05Å; G363-I367 PolarHBondContact O-N 2.81Å
364	R	82.9	Confident	87.2	Confident	196 Å²	196	72.4 Å²	72.4	74%	0.74	37%	0.366	S	S	*	.	H	α-helix	trans	-64	-34.4	179.8	-69.8	-179.3	178.4	176.7	-1.2	112.5	Y335 Y366 I367 A368	Y335-R364 HydrophobicContact CE1-CG 4.36Å; R364-Y366 VanDerWaalsContact C-N 3.34Å; R364-Y366 PolarHBondContact O-N 3.48Å; R364-I367 PolarHBondContact O-N 3.06Å; R364-A368 PolarHBondContact O-N 2.75Å
365	E	86	Confident	86.2	Confident	172 Å²	172	76.8 Å²	76.8	80%	0.804	39%	0.393	S	S	*	.	H	α-helix	trans	-63.9	-38.6	178.7	-64.4	179.9	-179.1	0	0	112.5	G363 A368 N369	G363-E365 VanDerWaalsContact C-N 3.29Å; G363-E365 PolarHBondContact O-N 2.89Å; E365-A368 PolarHBondContact O-N 3.2Å; E365-N369 PolarHBondContact O-N 3.37Å
366	Y	89.1	Confident	85.1	Confident	59 Å²	59	77.8 Å²	77.8	23%	0.231	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-46.9	175.8	174.2	-96.9	0	0	0	111.2	C324 S325 L354 I362 G363 R364 N369 C370	C324-Y366 WeakPolarHBondContact O-CE1 3.17Å; C324-Y366 PolarHBondContact O-OH 3.37Å; S325-Y366 WeakPolarHBondContact CA-OH 3.32Å; L354-Y366 HydrophobicContact CD1-CE1 3.92Å; L354-Y366 HydrophobicContact CD1-CE2 4.22Å; I362-Y366 HydrophobicContact CB-CD1 4.21Å; I362-Y366 HydrophobicContact CD1-CD1 4.32Å; I362-Y366 HydrophobicContact CG1-CD1 4.32Å; I362-Y366 WeakPolarHBondContact O-CB 3.34Å; G363-Y366 PolarHBondContact O-N 3.05Å; R364-Y366 VanDerWaalsContact C-N 3.34Å; R364-Y366 PolarHBondContact O-N 3.48Å; Y366-N369 PolarHBondContact O-N 3.21Å; Y366-C370 PolarHBondContact O-N 3.01Å
367	I	86.1	Confident	84.1	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.036	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-41.2	176.5	-65.3	-62.6	0	0	0	111.6	L331 V332 Y335 I362 G363 R364 N369 C370 T371	L331-I367 HydrophobicContact CG-CD1 4.49Å; V332-I367 WeakPolarHBondContact O-CG2 3.5Å; Y335-I367 HydrophobicContact CD1-CG1 4.01Å; Y335-I367 HydrophobicContact CD2-CD1 4.17Å; Y335-I367 HydrophobicContact CD2-CG1 3.91Å; Y335-I367 HydrophobicContact CE1-CG1 4.4Å; Y335-I367 HydrophobicContact CE2-CG1 4.31Å; Y335-I367 HydrophobicContact CG-CB 4.49Å; Y335-I367 HydrophobicContact CG-CD1 4.32Å; Y335-I367 HydrophobicContact CG-CG1 3.75Å; Y335-I367 HydrophobicContact CG-CG2 4.36Å; I362-I367 HydrophobicContact CD1-CD1 3.63Å; I362-I367 HydrophobicContact CD1-CG1 3.98Å; I362-I367 HydrophobicContact CG1-CD1 4.45Å; I362-I367 HydrophobicContact CG1-CG1 4.31Å; G363-I367 PolarHBondContact O-N 2.81Å; R364-I367 PolarHBondContact O-N 3.06Å; I367-N369 VanDerWaalsContact C-N 3.3Å; I367-N369 PolarHBondContact O-N 2.96Å; I367-C370 WeakPolarHBondContact O-CA 3.3Å; I367-C370 WeakPolarHBondContact O-CB 3.35Å; I367-C370 PolarHBondContact O-N 2.91Å; I367-T371 PolarHBondContact O-N 3.18Å; I367-T371 PolarHBondContact O-OG1 2.79Å
368	A	82.4	Confident	83	Confident	64 Å²	64	75.1 Å²	75.1	53%	0.529	38%	0.378	S	S	.	.	H	α-helix	trans	-59	-41.3	176.1	0	0	0	0	0	112.1	R364 E365 C370 T371	R364-A368 PolarHBondContact O-N 2.75Å; E365-A368 PolarHBondContact O-N 3.2Å; A368-C370 VanDerWaalsContact C-N 3.35Å; A368-T371 PolarHBondContact O-N 3.11Å
369	N	86.6	Confident	81.8	Confident	72 Å²	72	73.5 Å²	73.5	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-34.5	174.1	-169	18.6	0	0	0	112	E365 Y366 I367 T371 A372 R373	E365-N369 PolarHBondContact O-N 3.37Å; Y366-N369 PolarHBondContact O-N 3.21Å; I367-N369 VanDerWaalsContact C-N 3.3Å; I367-N369 PolarHBondContact O-N 2.96Å; N369-T371 VanDerWaalsContact C-N 3.35Å; N369-T371 PolarHBondContact O-N 3.37Å; N369-A372 PolarHBondContact O-N 2.9Å; N369-R373 WeakPolarHBondContact O-CG 3.33Å; N369-R373 PolarHBondContact O-N 3.3Å; N369-R373 PolarHBondContact OD1-NE 3.17Å
370	C	87.3	Confident	80.6	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-39	173.7	-77	0	0	0	0	112.6	C326 V332 Y366 I367 A368 A372 R373 Y374	C326-C370 WeakPolarHBondContact CA-SG 3.42Å; C326-C370 HydrophobicContact CB-CB 3.58Å; C326-C370 WeakPolarHBondContact CB-SG 3.47Å; C326-C370 WeakPolarHBondContact SG-CA 3.1Å; C326-C370 WeakPolarHBondContact SG-CB 3.02Å; C326-C370 CovalentContact SG-SG 2.05Å; C326-C370 PolarHBondContact SG-SG 2.59Å; V332-C370 HydrophobicContact CB-CB 4.47Å; V332-C370 HydrophobicContact CG1-CB 3.93Å; V332-C370 HydrophobicContact CG2-CB 3.66Å; Y366-C370 PolarHBondContact O-N 3.01Å; I367-C370 WeakPolarHBondContact O-CA 3.3Å; I367-C370 WeakPolarHBondContact O-CB 3.35Å; I367-C370 PolarHBondContact O-N 2.91Å; A368-C370 VanDerWaalsContact C-N 3.35Å; C370-A372 PolarHBondContact O-N 3.02Å; C370-R373 CarbonylContact O-C 3.52Å; C370-R373 PolarHBondContact O-N 3.37Å; C370-Y374 WeakPolarHBondContact O-CA 3.49Å; C370-Y374 VanDerWaalsContact O-CB 3.3Å; C370-Y374 WeakPolarHBondContact O-CB 3.42Å; C370-Y374 PolarHBondContact O-N 3.5Å
371	T	78	Confident	79.3	Confident	69 Å²	69	70.5 Å²	70.5	42%	0.423	37%	0.365	S	S	.	.	H	α-helix	trans	-57.4	-35.3	177.5	-54.1	0	0	0	0	112.4	Y333 I367 A368 N369	Y333-T371 HydrophobicContact CE1-CG2 4.25Å; I367-T371 PolarHBondContact O-N 3.18Å; I367-T371 PolarHBondContact O-OG1 2.79Å; A368-T371 PolarHBondContact O-N 3.11Å; N369-T371 VanDerWaalsContact C-N 3.35Å; N369-T371 PolarHBondContact O-N 3.37Å
372	A	77.3	Confident	77.5	Confident	90 Å²	90	71 Å²	71	74%	0.744	37%	0.365	S	S	*	.	H	α-helix	trans	-78.2	-22.7	177.3	0	0	0	0	0	113.9	N369 C370	N369-A372 PolarHBondContact O-N 2.9Å; C370-A372 PolarHBondContact O-N 3.02Å
373	R	79.2	Confident	75.7	Confident	169 Å²	169	74.7 Å²	74.7	64%	0.638	39%	0.391	S	S	*	.	H	α-helix	trans	-110.1	-7.3	-174.5	-65.4	-178.6	-176.8	-168.3	-2.1	114.3	N369 C370 V375	N369-R373 WeakPolarHBondContact O-CG 3.33Å; N369-R373 PolarHBondContact O-N 3.3Å; N369-R373 PolarHBondContact OD1-NE 3.17Å; C370-R373 CarbonylContact O-C 3.52Å; C370-R373 PolarHBondContact O-N 3.37Å; R373-V375 PolarHBondContact O-N 3.37Å
374	Y	76.9	Confident	74	Confident	28 Å²	28	77.3 Å²	77.3	11%	0.11	42%	0.419	C	S	.	.			trans	-57.3	123.6	-172.9	167.6	-97.1	0	0	0	110.1	C326 Y333 C370 Y376 D380	C326-Y374 WeakPolarHBondContact O-CD2 3.22Å; Y333-Y374 HydrophobicContact CE2-CD1 4.02Å; Y333-Y374 HydrophobicContact CE2-CE1 4.08Å; Y333-Y374 HydrophobicContact CE2-CG 4.36Å; C370-Y374 WeakPolarHBondContact O-CA 3.49Å; C370-Y374 VanDerWaalsContact O-CB 3.3Å; C370-Y374 WeakPolarHBondContact O-CB 3.42Å; C370-Y374 PolarHBondContact O-N 3.5Å; Y374-Y376 HydrophobicContact CE1-CD2 4.45Å; Y374-D380 PolarHBondContact OH-OD2 3.03Å
375	V	72.4	Confident	71.8	Confident	109 Å²	109	69.4 Å²	69.4	66%	0.661	40%	0.398	S	S	*	.			trans	-108.2	133.9	174.4	-178.9	0	0	0	0	107.4	R373 H377	R373-V375 PolarHBondContact O-N 3.37Å; V375-H377 PolarHBondContact O-N 3.34Å
376	Y	71.6	Confident	69.4	Low	63 Å²	63	70.8 Å²	70.8	25%	0.247	40%	0.401	C	S	.	.			trans	-51.7	126.4	-179.4	-138.1	-91.3	0	0	0	110.8	Y374 D380 V381 V388	Y374-Y376 HydrophobicContact CE1-CD2 4.45Å; Y376-D380 HydrophobicContact CD1-CB 3.66Å; Y376-D380 HydrophobicContact CE1-CB 3.31Å; Y376-V381 HydrophobicContact CD1-CG2 4.28Å; Y376-V381 HydrophobicContact CE1-CG2 4.15Å; Y376-V388 WeakPolarHBondContact CE2-O 3.44Å
377	H	72.8	Confident	67.2	Low	34 Å²	34	71.1 Å²	71.1	16%	0.157	42%	0.416	C	S	.	.			trans	-84.7	144.7	174.9	-166.1	-108.2	0	0	0	109.5	H298 V375 L379 D380	H298-H377 AromaticContact CD2-CE1 3.7Å; H298-H377 AromaticContact CD2-CG 3.87Å; H298-H377 AromaticContact CD2-ND1 3.39Å; H298-H377 PolarHBondContact CD2-ND1 3.02Å; H298-H377 AromaticContact CE1-ND1 3.53Å; H298-H377 AromaticContact NE2-CE1 3.77Å; H298-H377 AromaticContact NE2-CG 3.34Å; H298-H377 VanDerWaalsContact NE2-CG 3.34Å; H298-H377 AromaticContact NE2-ND1 2.98Å; H298-H377 PolarHBondContact NE2-ND1 3.31Å; V375-H377 PolarHBondContact O-N 3.34Å; H377-L379 WeakPolarHBondContact ND1-CB 3.34Å; H377-L379 PolarHBondContact ND1-N 3.49Å; H377-L379 PolarHBondContact O-N 3.34Å; H377-L379 VanDerWaalsContact O-N 3.12Å; H377-D380 VanDerWaalsContact CB-OD2 3.31Å; H377-D380 WeakPolarHBondContact CB-OD2 3.47Å; H377-D380 PolarHBondContact N-OD2 2.98Å; H377-D380 VanDerWaalsContact O-CB 3.26Å; H377-D380 WeakPolarHBondContact O-CB 3.23Å; H377-D380 PolarHBondContact O-N 3.38Å
378	H	72.8	Confident	65	Low	134 Å²	134	75.4 Å²	75.4	62%	0.62	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-61	-24.5	-178.7	69	-78.6	0	0	0	113.1	D380	H378-D380 VanDerWaalsContact C-N 3.27Å; H378-D380 PolarHBondContact O-N 3.45Å
379	L	70.7	Confident	62.8	Low	18 Å²	18	76.4 Å²	76.4	9%	0.094	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-75	-13.9	174.2	-62.2	177	0	0	0	113.6	H298 H377 V381	H298-L379 HydrophobicContact CB-CD1 4.03Å; H298-L379 WeakPolarHBondContact ND1-CD1 3.1Å; H377-L379 WeakPolarHBondContact ND1-CB 3.34Å; H377-L379 PolarHBondContact ND1-N 3.49Å; H377-L379 PolarHBondContact O-N 3.34Å; H377-L379 VanDerWaalsContact O-N 3.12Å; L379-V381 VanDerWaalsContact C-N 3.26Å
380	D	67.4	Low	60.6	Low	1 Å²	1	76.3 Å²	76.3	1%	0.005	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-80.2	-9.9	177.6	-61.9	-36.4	0	0	0	112.5	H298 A300 R301 Y374 Y376 H377 H378 E382	H298-D380 IonicContact CE1-OD1 2.9Å; A300-D380 VanDerWaalsContact CA-OD1 3.23Å; A300-D380 WeakPolarHBondContact CA-OD1 3.39Å; R301-D380 HydrophobicContact CB-CB 4.36Å; R301-D380 PolarHBondContact N-OD1 3.47Å; Y374-D380 PolarHBondContact OH-OD2 3.03Å; Y376-D380 HydrophobicContact CD1-CB 3.66Å; Y376-D380 HydrophobicContact CE1-CB 3.31Å; H377-D380 VanDerWaalsContact CB-OD2 3.31Å; H377-D380 WeakPolarHBondContact CB-OD2 3.47Å; H377-D380 PolarHBondContact N-OD2 2.98Å; H377-D380 VanDerWaalsContact O-CB 3.26Å; H377-D380 WeakPolarHBondContact O-CB 3.23Å; H377-D380 PolarHBondContact O-N 3.38Å; H378-D380 VanDerWaalsContact C-N 3.27Å; H378-D380 PolarHBondContact O-N 3.45Å; D380-E382 PolarHBondContact O-N 3.28Å
381	V	64.3	Low	58.2	Low	56 Å²	56	81.3 Å²	81.3	34%	0.339	49%	0.485	S	S	.	.	S	Bend	trans	-77.6	117.9	179.7	-174.9	0	0	0	0	109.2	Y376 L379 S383 G385	Y376-V381 HydrophobicContact CD1-CG2 4.28Å; Y376-V381 HydrophobicContact CE1-CG2 4.15Å; L379-V381 VanDerWaalsContact C-N 3.26Å; V381-S383 PolarHBondContact O-N 3.3Å; V381-G385 WeakPolarHBondContact CG1-O 3.45Å
382	E	53.8	Low	56.1	Low	104 Å²	104	83.9 Å²	83.9	49%	0.486	50%	0.501	S	S	.	.			trans	-58	130.3	165.6	-77.8	-179.6	171.5	0	0	108.6	N278 D380 G384 G385	N278-E382 WeakPolarHBondContact ND2-CG 3.47Å; N278-E382 PolarHBondContact ND2-OE1 3.12Å; D380-E382 PolarHBondContact O-N 3.28Å; E382-G384 VanDerWaalsContact C-N 3.29Å; E382-G384 PolarHBondContact O-N 3.3Å; E382-G385 PolarHBondContact O-N 3.05Å
383	S	50.6	Low	54	Low	89 Å²	89	86.8 Å²	86.8	62%	0.622	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	94.5	169.7	44.4	0	0	0	0	109.1	V381	V381-S383 PolarHBondContact O-N 3.3Å
384	G	45.2	Very low	51.8	Low	89 Å²	89	84.9 Å²	84.9	92%	0.918	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.7	-9.9	-175.8	0	0	0	0	0	116.8	E382	E382-G384 VanDerWaalsContact C-N 3.29Å; E382-G384 PolarHBondContact O-N 3.3Å
385	G	38.3	Very low	49.8	Very low	29 Å²	29	90.3 Å²	90.3	30%	0.299	53%	0.533	S	S	.	.			trans	-101.3	133.1	-176.5	0	0	0	0	0	113.6	V381 E382	V381-G385 WeakPolarHBondContact CG1-O 3.45Å; E382-G385 PolarHBondContact O-N 3.05Å
386	K	35	Very low	47.9	Very low	202 Å²	202	93.4 Å²	93.4	88%	0.878	54%	0.538	S	S	*	.			trans	-62.6	137.4	165.9	-71.9	-177.6	179	178.9	0	108.9	V388	K386-V388 PolarHBondContact O-N 3.38Å
387	A	42.1	Very low	46.1	Very low	65 Å²	65	97.5 Å²	97.5	54%	0.537	56%	0.564	S	S	.	*			trans	-50.1	113.4	176.4	0	0	0	0	0	110.1	A389	A387-A389 PolarHBondContact O-N 2.94Å
388	V	40	Very low	44.1	Very low	98 Å²	98	104 Å²	104	59%	0.594	60%	0.599	S	S	*	*			trans	-74.4	101	177	-179.7	0	0	0	0	107.3	Y376 K386 V390	Y376-V388 WeakPolarHBondContact CE2-O 3.44Å; K386-V388 PolarHBondContact O-N 3.38Å; V388-V390 PolarHBondContact O-N 2.92Å
389	A	36.7	Very low	42.1	Very low	85 Å²	85	103 Å²	103	70%	0.702	61%	0.606	S	S	*	*			trans	-60.8	129.3	170.3	0	0	0	0	0	109.2	A387	A387-A389 PolarHBondContact O-N 2.94Å
390	V	39.4	Very low	40.3	Very low	69 Å²	69	107.6 Å²	107.6	42%	0.418	64%	0.639	S	S	.	*			trans	-62.5	131.2	174.1	-178.5	0	0	0	0	107.8	V388 T392	V388-V390 PolarHBondContact O-N 2.92Å; V390-T392 PolarHBondContact O-N 3Å
391	P	37.3	Very low	38.6	Very low	106 Å²	106	115.4 Å²	115.4	69%	0.688	68%	0.68	S	S	*	*			trans	-66.2	108.8	174.6	26.3	-29.7	0	0	0	107.4	I393	P391-I393 PolarHBondContact O-N 3.01Å
392	T	34.6	Very low	37.2	Very low	124 Å²	124	119.1 Å²	119.1	76%	0.761	70%	0.702	S	S	*	*			trans	-53.5	103.7	164.3	31.6	0	0	0	0	107.2	V390 L394	V390-T392 PolarHBondContact O-N 3Å; T392-L394 PolarHBondContact O-N 2.96Å
393	I	33.5	Very low	36.1	Very low	150 Å²	150	120.1 Å²	120.1	77%	0.769	72%	0.715	S	S	*	*			trans	-57.9	106	169.3	-65.4	170.8	0	0	0	105.4	P391 I395	P391-I393 PolarHBondContact O-N 3.01Å; I393-I395 VanDerWaalsContact C-N 3.35Å; I393-I395 PolarHBondContact O-N 3.33Å
394	L	32.5	Very low	35.3	Very low	130 Å²	130	122.6 Å²	122.6	68%	0.681	72%	0.722	S	S	*	*			trans	-61.1	101.3	170.8	-93.7	94.7	0	0	0	107.2	T392 F396	T392-L394 PolarHBondContact O-N 2.96Å; L394-F396 HydrophobicContact CB-CD2 4.17Å; L394-F396 HydrophobicContact CB-CE2 4.14Å; L394-F396 HydrophobicContact CD2-CE2 4.11Å; L394-F396 HydrophobicContact CD2-CZ 4.31Å; L394-F396 PolarHBondContact O-N 2.91Å
395	I	34	Very low	34.8	Very low	141 Å²	141	122.3 Å²	122.3	72%	0.723	71%	0.711	S	S	*	*			trans	-67.8	93	162.6	-60.6	171.4	0	0	0	105.3	I393 L397	I393-I395 VanDerWaalsContact C-N 3.35Å; I393-I395 PolarHBondContact O-N 3.33Å; I395-L397 HydrophobicContact CG2-CG 4.27Å; I395-L397 PolarHBondContact O-N 2.95Å
396	F	33.6	Very low	34.7	Very low	175 Å²	175	128.7 Å²	128.7	77%	0.768	74%	0.738	S	S	*	*			trans	-64.6	91.6	164.7	-86.8	-87.5	0	0	0	107.5	L394 L398	L394-F396 HydrophobicContact CB-CD2 4.17Å; L394-F396 HydrophobicContact CB-CE2 4.14Å; L394-F396 HydrophobicContact CD2-CE2 4.11Å; L394-F396 HydrophobicContact CD2-CZ 4.31Å; L394-F396 PolarHBondContact O-N 2.91Å; F396-L398 PolarHBondContact O-N 2.87Å
397	L	33.6	Very low	34.7	Very low	148 Å²	148	124.4 Å²	124.4	78%	0.775	73%	0.733	S	S	*	*			trans	-61.2	119.5	166.5	-79.7	161.7	0	0	0	107.9	I395 S399	I395-L397 HydrophobicContact CG2-CG 4.27Å; I395-L397 PolarHBondContact O-N 2.95Å; L397-S399 VanDerWaalsContact C-N 3.32Å; L397-S399 PolarHBondContact O-N 3.27Å
398	L	30.4	Very low	34.4	Very low	172 Å²	172	130.4 Å²	130.4	90%	0.901	75%	0.747	S	S	*	*			trans	-56.3	95	166.6	-83.9	90.3	0	0	0	109.2	F396	F396-L398 PolarHBondContact O-N 2.87Å
399	S	31.2	Very low	34	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	76%	0.758	S	S	*	*			trans	-111.7	52.3	158.7	66.2	0	0	0	0	109	L397	L397-S399 VanDerWaalsContact C-N 3.32Å; L397-S399 PolarHBondContact O-N 3.27Å
400	C	32.1	Very low	34.4	Very low	116 Å²	116	138.1 Å²	138.1	78%	0.784	78%	0.783	S	S	*	*			trans	-102.5	84.2	161.2	-79	0	0	0	0	106.2
401	L	32.2	Very low	34.1	Very low	164 Å²	164	141.6 Å²	141.6	86%	0.859	80%	0.801	S	S	*	*	S	Bend	trans	-176	130.2	155.4	-96.4	153	0	0	0	107.4
402	V	34.2	Very low	34	Very low	134 Å²	134	143.4 Å²	143.4	81%	0.812	81%	0.807	S	S	*	*			trans	83.2	79.4	170	-159.2	0	0	0	0	116.3
403	V	31.7	Very low	33.9	Very low	125 Å²	125	144.5 Å²	144.5	76%	0.758	81%	0.81	S	S	*	*			trans	-147.1	113.1	139	-177.4	0	0	0	0	110.1
404	N	33.9	Very low	34	Very low	141 Å²	141	144.2 Å²	144.2	75%	0.754	81%	0.812	S	S	*	*			trans	64.2	110.3	148.9	-60.7	-8	0	0	0	118.5
405	A	34	Very low	34	Very low	83 Å²	83	145.1 Å²	145.1	69%	0.686	82%	0.82	S	S	*	*				50.5	110.7	50.9	0	0	0	0	0	113.7
406	D	35.8	Very low	34	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	83%	0.827	S	S	*	*			trans	68.4	97.6	157.9	-60.8	-26.2	0	0	0	120
407	S	36.5	Very low	34.1	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	83%	0.831	S	S	*	*			trans	-155.1	100.1	138.1	61.5	0	0	0	0	112.6
408	K	35.7	Very low	34.1	Very low	191 Å²	191	142.8 Å²	142.8	83%	0.83	84%	0.835	S	S	*	*			trans	50.8	110.2	131.4	-66.4	-178.3	176.8	179	0	118.5
409	L	30	Very low	34.4	Very low	156 Å²	156	140.4 Å²	140.4	82%	0.817	83%	0.83	S	S	*	*				74.7	145.1	96	-91.4	127.6	0	0	0	114.5
410	P	45.8	Very low	34.7	Very low	189 Å²	189	143.1 Å²	143.1	100%	1.227	84%	0.835	S	S	*	*			cis	-103.8	0	8	38.3	-29.7	0	0	0	115.6

Retrieved 410 of 410 residues in 331.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).