A0A096NXT9_PAPAN Loading...

Protein XRP2

Acts as a GTPase-activating protein (GAP) for tubulin in concert with tubulin-specific chaperone C, but does not enhance tubulin heterodimerization. Acts as a GTPase-activating protein (GAP) involved in trafficking between the Golgi and the ciliary membrane. Involved in localization of proteins, such as NPHP3, to the cilium membrane by inducing hydrolysis of GTP ARL3, leading to the release of UNC119 (or UNC119B). Acts as a GTPase-activating protein (GAP) for tubulin in concert with tubulin-specific chaperone C, but does not enhance tubulin heterodimerization. Acts as a guanine nucleotide dissociation inhibitor towards ADP-ribosylation factor-like proteins.

AlphaFold DB , UniProt , Accession A0A096NXT9, Species PAPAN (Papio anubis, Olive baboon), Gene RP2, Length 350 aa.

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(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	37.5	Very low	33.9	Very low	244 Å²	244	164.5 Å²	164.5	100%	1.202	82%	0.822	S	S	*	*				0	114	0	-60.7	-178.2	-90.1	0	0	105.3
2	G	30.7	Very low	33.7	Very low	75 Å²	75	164.3 Å²	164.3	77%	0.773	83%	0.826	S	S	*	*			cis	76.6	123.8	46	0	0	0	0	0	108.1
3	C	32.5	Very low	34.3	Very low	118 Å²	118	166.3 Å²	166.3	80%	0.797	83%	0.826	S	S	*	*			cis	-156	144.6	17	-95.5	0	0	0	0	108.5
4	F	31.1	Very low	34.2	Very low	175 Å²	175	168.6 Å²	168.6	77%	0.768	83%	0.833	S	S	*	*				93.8	146.9	71.1	-112.4	-81.1	0	0	0	116.6
5	F	32.9	Very low	34.1	Very low	166 Å²	166	164.7 Å²	164.7	73%	0.728	83%	0.829	S	S	*	*			trans	78.3	116.2	176.1	-57.7	-79.2	0	0	0	117.3
6	S	33.5	Very low	34.5	Very low	79 Å²	79	168.2 Å²	168.2	55%	0.552	83%	0.829	S	S	*	*			cis	74.9	116.9	44	98.2	0	0	0	0	112.8
7	K	35.1	Very low	34.6	Very low	175 Å²	175	165.6 Å²	165.6	76%	0.761	83%	0.828	S	S	*	*				179.2	172.7	66.1	-85.2	137.6	-172.7	163	0	107.4
8	R	34.3	Very low	35	Very low	235 Å²	235	165.4 Å²	165.4	89%	0.887	82%	0.824	S	S	*	*			cis	-154.5	169.8	5.2	-137.6	176.1	-177	177	-0.1	111
9	R	35.8	Very low	35.4	Very low	239 Å²	239	165 Å²	165	90%	0.902	83%	0.825	S	S	*	*			trans	-46.2	150.2	173.2	-63.6	171	172.8	170.5	-4.4	118.3
10	K	28.8	Very low	35.7	Very low	214 Å²	214	166.3 Å²	166.3	93%	0.93	83%	0.828	S	S	*	*				-149.3	147.2	111.8	-115.6	-177.3	-179.8	-173.7	0	110.1
11	A	40.9	Very low	36.1	Very low	90 Å²	90	167.2 Å²	167.2	74%	0.744	83%	0.83	S	S	*	*			trans	-126.2	138	167.8	0	0	0	0	0	106.7
12	D	31.2	Very low	36.5	Very low	162 Å²	162	163.7 Å²	163.7	87%	0.866	81%	0.811	S	S	*	*			trans	-161.7	163.8	143.4	-108.4	-42.8	0	0	0	110.8
13	K	42	Very low	37.6	Very low	190 Å²	190	171.1 Å²	171.1	83%	0.826	82%	0.815	S	S	*	*			trans	-67.5	145.5	-164.7	-59.1	157	178.2	171.7	0	114.1
14	E	32.1	Very low	38.6	Very low	198 Å²	198	171.1 Å²	171.1	93%	0.925	81%	0.814	S	S	*	*			trans	-127.2	156.3	146.1	-81.8	-172.1	155.1	0	0	111.2
15	S	32.7	Very low	39.8	Very low	110 Å²	110	170 Å²	170	77%	0.769	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.9	147.5	-158.1	43.6	0	0	0	0	114.9
16	R	41.1	Very low	40.3	Very low	221 Å²	221	168.6 Å²	168.6	83%	0.834	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.4	133.7	155.9	-70.4	179.1	173.8	178.1	-4.3	109.5
17	P	35.3	Very low	41.8	Very low	125 Å²	125	170.4 Å²	170.4	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-79.3	128.4	145.4	23	-10.6	0	0	0	108.9
18	E	42.6	Very low	42.8	Very low	161 Å²	161	166.4 Å²	166.4	75%	0.752	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.7	162.4	159.9	-69.2	177.2	153.6	0	0	109
19	N	42.2	Very low	43.7	Very low	158 Å²	158	162.7 Å²	162.7	85%	0.845	78%	0.78	S	S	*	*			trans	71.5	70.9	-178.9	-60.8	-10.9	0	0	0	117.1
20	E	41	Very low	44.6	Very low	190 Å²	190	155.6 Å²	155.6	89%	0.888	76%	0.761	S	S	*	*				-98.2	119.9	128.5	-71.4	-171.1	156	0	0	107.4	E22	E20-E22 PolarHBondContact O-N 3.18Å
21	E	44.9	Very low	45.9	Very low	187 Å²	187	152 Å²	152	87%	0.874	75%	0.747	S	S	*	*			trans	-65.2	113.7	168.2	-68.6	-179.7	145.5	0	0	107.9	R23	E21-R23 PolarHBondContact O-N 2.83Å
22	E	46.1	Very low	46.7	Very low	170 Å²	170	157 Å²	157	79%	0.794	75%	0.747	S	S	*	*			trans	-59.6	100.2	174.1	-77.1	-163.3	137.5	0	0	109	E20	E20-E22 PolarHBondContact O-N 3.18Å
23	R	53.7	Low	48.1	Very low	230 Å²	230	157.8 Å²	157.8	87%	0.868	75%	0.745	S	S	*	*			trans	-54.5	127	168.8	-65.4	-175.8	-176.2	-178	2	107.2	E21 K25	E21-R23 PolarHBondContact O-N 2.83Å; R23-K25 PolarHBondContact O-N 2.86Å
24	P	53.3	Low	49.2	Very low	119 Å²	119	158.7 Å²	158.7	77%	0.773	75%	0.749	S	S	*	*			trans	-56.8	132.4	-174	21.8	-32.6	0	0	0	109.6	Q26	P24-Q26 PolarHBondContact O-N 2.8Å
25	K	57.2	Low	51	Low	151 Å²	151	153 Å²	153	66%	0.657	73%	0.728	S	S	*	*			trans	-61.3	100.7	-179.3	-70.3	172.7	-177	164.1	0	108.5	R23 Y27	R23-K25 PolarHBondContact O-N 2.86Å; K25-Y27 HydrophobicContact CB-CE2 3.94Å; K25-Y27 WeakPolarHBondContact O-CD2 3.13Å; K25-Y27 VanDerWaalsContact O-CE2 3.22Å; K25-Y27 WeakPolarHBondContact O-CE2 3.4Å; K25-Y27 PolarHBondContact O-N 3.27Å
26	Q	42.3	Very low	53.2	Low	137 Å²	137	151.1 Å²	151.1	64%	0.64	71%	0.709	S	S	*	*			trans	-84.1	111.7	-180	-163.8	175.9	21	0	0	108.3	P24 D30 Q31	P24-Q26 PolarHBondContact O-N 2.8Å; Q26-D30 HydrophobicContact CG-CB 4.19Å; Q26-Q31 HydrophobicContact CG-CG 4.5Å
27	Y	66	Low	55	Low	116 Å²	116	145.4 Å²	145.4	46%	0.455	70%	0.7	S	S	.	*			trans	-88.8	161	179.9	-62.5	-90.2	0	0	0	110.7	K25 W29 D30	K25-Y27 HydrophobicContact CB-CE2 3.94Å; K25-Y27 WeakPolarHBondContact O-CD2 3.13Å; K25-Y27 VanDerWaalsContact O-CE2 3.22Å; K25-Y27 WeakPolarHBondContact O-CE2 3.4Å; K25-Y27 PolarHBondContact O-N 3.27Å; Y27-W29 VanDerWaalsContact CB-NE1 3.33Å; Y27-W29 AromaticContact CD1-CH2 3.78Å; Y27-W29 HydrophobicContact CD1-CH2 3.78Å; Y27-W29 AromaticContact CD1-CZ2 3.39Å; Y27-W29 HydrophobicContact CD1-CZ2 3.39Å; Y27-W29 HydrophobicContact CD2-CZ2 4.26Å; Y27-W29 HydrophobicContact CE1-CZ2 4.16Å; Y27-W29 AromaticContact CG-CE2 3.67Å; Y27-W29 HydrophobicContact CG-CH2 4.21Å; Y27-W29 AromaticContact CG-CZ2 3.45Å; Y27-W29 HydrophobicContact CG-CZ2 3.45Å; Y27-W29 VanDerWaalsContact CG-CZ2 3.45Å; Y27-W29 AromaticContact CG-NE1 3.78Å; Y27-W29 PolarHBondContact O-N 3.49Å; Y27-W29 VanDerWaalsContact O-N 3.09Å; Y27-D30 PolarHBondContact N-OD2 3.29Å; Y27-D30 WeakPolarHBondContact O-CB 3.22Å; Y27-D30 PolarHBondContact O-N 2.92Å
28	S	54.8	Low	57.3	Low	92 Å²	92	146.4 Å²	146.4	64%	0.643	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-15.9	-177.5	58.2	0	0	0	0	114.3
29	W	54.5	Low	59.4	Low	156 Å²	156	143 Å²	143	59%	0.591	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-20.4	170.9	45.4	80	0	0	0	113.7	Y27 Q31 R32	Y27-W29 VanDerWaalsContact CB-NE1 3.33Å; Y27-W29 AromaticContact CD1-CH2 3.78Å; Y27-W29 HydrophobicContact CD1-CH2 3.78Å; Y27-W29 AromaticContact CD1-CZ2 3.39Å; Y27-W29 HydrophobicContact CD1-CZ2 3.39Å; Y27-W29 HydrophobicContact CD2-CZ2 4.26Å; Y27-W29 HydrophobicContact CE1-CZ2 4.16Å; Y27-W29 AromaticContact CG-CE2 3.67Å; Y27-W29 HydrophobicContact CG-CH2 4.21Å; Y27-W29 AromaticContact CG-CZ2 3.45Å; Y27-W29 HydrophobicContact CG-CZ2 3.45Å; Y27-W29 VanDerWaalsContact CG-CZ2 3.45Å; Y27-W29 AromaticContact CG-NE1 3.78Å; Y27-W29 PolarHBondContact O-N 3.49Å; Y27-W29 VanDerWaalsContact O-N 3.09Å; W29-Q31 PolarHBondContact O-N 3.37Å; W29-R32 PolarHBondContact O-N 3.09Å
30	D	55	Low	61.9	Low	91 Å²	91	137.7 Å²	137.7	49%	0.487	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-11	176.2	-55.7	-36.7	0	0	0	112.5	Q26 Y27	Q26-D30 HydrophobicContact CG-CB 4.19Å; Y27-D30 PolarHBondContact N-OD2 3.29Å; Y27-D30 WeakPolarHBondContact O-CB 3.22Å; Y27-D30 PolarHBondContact O-N 2.92Å
31	Q	54.2	Low	64.6	Low	139 Å²	139	131.3 Å²	131.3	65%	0.65	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	1.1	174	-66.7	-173.7	-10.3	0	0	113.5	Q26 W29 E33	Q26-Q31 HydrophobicContact CG-CG 4.5Å; W29-Q31 PolarHBondContact O-N 3.37Å; Q31-E33 PolarHBondContact O-N 3.36Å
32	R	57.5	Low	67.1	Low	194 Å²	194	123 Å²	123	73%	0.732	58%	0.58	S	S	*	*	S	Bend	trans	-72.6	123.3	173.1	-72.1	-179.3	178.1	-175.4	-2.5	109	W29 K34	W29-R32 PolarHBondContact O-N 3.09Å; R32-K34 PolarHBondContact O-N 3.45Å
33	E	60.8	Low	69.6	Low	178 Å²	178	117.3 Å²	117.3	83%	0.832	56%	0.558	S	S	*	*			trans	-54.7	138.2	167.9	-66.7	-174.4	143.7	0	0	109.5	Q31 V35	Q31-E33 PolarHBondContact O-N 3.36Å; E33-V35 PolarHBondContact O-N 3.16Å
34	K	65.3	Low	71.7	Confident	210 Å²	210	108.4 Å²	108.4	91%	0.913	54%	0.538	S	S	*	.			trans	-76.3	91.5	179.4	-73.9	-176.8	178.1	177.9	0	109.1	R32 D36	R32-K34 PolarHBondContact O-N 3.45Å; K34-D36 PolarHBondContact O-N 2.97Å; K34-D36 VanDerWaalsContact O-N 3.16Å
35	V	71.3	Confident	73.9	Confident	78 Å²	78	104.2 Å²	104.2	47%	0.473	51%	0.509	S	S	.	.			trans	-62.2	106.7	170.3	-174.3	0	0	0	0	108.8	E33 Y40	E33-V35 PolarHBondContact O-N 3.16Å; V35-Y40 HydrophobicContact CG1-CD2 3.83Å; V35-Y40 HydrophobicContact CG1-CE2 3.37Å
36	D	78.9	Confident	75.8	Confident	70 Å²	70	102.5 Å²	102.5	37%	0.374	50%	0.501	S	S	.	.			trans	-81.3	124.3	168.5	-170.5	-34.1	0	0	0	108.3	K34 K38 D39 Y40	K34-D36 PolarHBondContact O-N 2.97Å; K34-D36 VanDerWaalsContact O-N 3.16Å; D36-K38 PolarHBondContact O-N 2.9Å; D36-K38 WeakPolarHBondContact OD1-CB 3.34Å; D36-K38 WeakPolarHBondContact OD1-CG 3.35Å; D36-K38 PolarHBondContact OD1-N 3.26Å; D36-D39 PolarHBondContact O-N 3Å; D36-Y40 WeakPolarHBondContact O-CD2 3.43Å
37	P	79	Confident	78.5	Confident	101 Å²	101	101.8 Å²	101.8	66%	0.656	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-51.3	-25.7	175.4	-28.8	36.2	0	0	0	114.8	D39 Y40	P37-D39 VanDerWaalsContact C-N 3.31Å; P37-D39 PolarHBondContact O-N 3.44Å; P37-Y40 PolarHBondContact O-N 3.42Å
38	K	82.6	Confident	80	Confident	146 Å²	146	100.3 Å²	100.3	64%	0.635	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-65.9	-29.2	177.1	-67.5	174.3	-179.3	175	0	113.8	D36 Y40 M41	D36-K38 PolarHBondContact O-N 2.9Å; D36-K38 WeakPolarHBondContact OD1-CB 3.34Å; D36-K38 WeakPolarHBondContact OD1-CG 3.35Å; D36-K38 PolarHBondContact OD1-N 3.26Å; K38-Y40 PolarHBondContact O-N 2.89Å; K38-M41 PolarHBondContact O-N 3.25Å
39	D	87.6	Confident	82.1	Confident	91 Å²	91	98.4 Å²	98.4	49%	0.487	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-71.7	-14.3	179.2	-62.8	-33.2	0	0	0	111.9	D36 P37 R52	D36-D39 PolarHBondContact O-N 3Å; P37-D39 VanDerWaalsContact C-N 3.31Å; P37-D39 PolarHBondContact O-N 3.44Å; D39-R52 PolarHBondContact O-NE 2.93Å; D39-R52 VanDerWaalsContact O-NE 3.07Å; D39-R52 PolarHBondContact O-NH2 3Å
40	Y	94.8	Very high	84.2	Confident	45 Å²	45	92.1 Å²	92.1	18%	0.176	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-112.1	21.4	-176.5	-62	-92.9	0	0	0	112.5	V35 D36 P37 K38 V57 Q60 Q61 F62 L63	V35-Y40 HydrophobicContact CG1-CD2 3.83Å; V35-Y40 HydrophobicContact CG1-CE2 3.37Å; D36-Y40 WeakPolarHBondContact O-CD2 3.43Å; P37-Y40 PolarHBondContact O-N 3.42Å; K38-Y40 PolarHBondContact O-N 2.89Å; Y40-V57 HydrophobicContact CD1-CG1 4.2Å; Y40-V57 HydrophobicContact CE1-CG1 4.23Å; Y40-Q60 HydrophobicContact CD1-CB 3.51Å; Y40-Q60 HydrophobicContact CD1-CG 4.08Å; Y40-Q60 HydrophobicContact CE1-CB 3.38Å; Y40-Q60 HydrophobicContact CE1-CG 3.46Å; Y40-Q60 VanDerWaalsContact CE1-CG 3.46Å; Y40-Q60 HydrophobicContact CG-CB 4.45Å; Y40-Q61 WeakPolarHBondContact CB-O 3.34Å; Y40-F62 HydrophobicContact CD1-CD2 4.34Å; Y40-F62 CarbonylContact O-C 3.59Å; Y40-F62 WeakPolarHBondContact O-CA 3.48Å; Y40-F62 WeakPolarHBondContact O-CG 3.09Å; Y40-L63 PolarHBondContact O-N 3.44Å
41	M	96.9	Very high	86.3	Confident	56 Å²	56	88.6 Å²	88.6	28%	0.276	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.5	173.1	72.4	-167.3	-57.7	0	0	113.5	K38 L63	K38-M41 PolarHBondContact O-N 3.25Å; M41-L63 CarbonylContact C-O 3.52Å; M41-L63 WeakPolarHBondContact CA-O 3.33Å; M41-L63 HydrophobicContact CB-CB 4.12Å; M41-L63 HydrophobicContact CE-CD2 4.3Å
42	F	98.2	Very high	88.3	Confident	14 Å²	14	84.8 Å²	84.8	6%	0.061	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.7	159	-65.2	-50.4	0	0	0	107.9	L45 V50 R52 F62 L63 I64 Q65 I72 I74	F42-L45 HydrophobicContact CB-CD1 3.9Å; F42-L45 HydrophobicContact CD1-CD1 3.9Å; F42-L45 HydrophobicContact CG-CD1 4.13Å; F42-V50 HydrophobicContact CD1-CB 4.37Å; F42-V50 HydrophobicContact CD1-CG2 3.92Å; F42-V50 HydrophobicContact CD2-CG2 3.98Å; F42-V50 HydrophobicContact CE1-CB 3.87Å; F42-V50 HydrophobicContact CE1-CG2 3.82Å; F42-V50 HydrophobicContact CE2-CG2 3.91Å; F42-V50 HydrophobicContact CG-CG2 4Å; F42-V50 HydrophobicContact CZ-CB 3.96Å; F42-V50 HydrophobicContact CZ-CG2 3.82Å; F42-R52 HydrophobicContact CZ-CG 4.42Å; F42-R52 VanDerWaalsContact CZ-NH1 3.31Å; F42-F62 AromaticContact CD2-CE1 3.47Å; F42-F62 HydrophobicContact CD2-CE1 3.47Å; F42-F62 VanDerWaalsContact CD2-CE1 3.47Å; F42-F62 AromaticContact CD2-CZ 3.78Å; F42-F62 HydrophobicContact CD2-CZ 3.78Å; F42-F62 HydrophobicContact CE1-CZ 4.49Å; F42-F62 AromaticContact CE2-CE1 3.74Å; F42-F62 HydrophobicContact CE2-CE1 3.74Å; F42-F62 AromaticContact CE2-CZ 3.61Å; F42-F62 HydrophobicContact CE2-CZ 3.61Å; F42-F62 HydrophobicContact CG-CE1 4.04Å; F42-F62 HydrophobicContact CG-CZ 4.29Å; F42-F62 HydrophobicContact CZ-CZ 4Å; F42-L63 PolarHBondContact N-O 2.97Å; F42-I64 HydrophobicContact CD2-CG1 4.47Å; F42-I64 CarbonylContact O-C 3.51Å; F42-I64 WeakPolarHBondContact O-CA 3.4Å; F42-Q65 PolarHBondContact O-N 3.33Å; F42-I72 HydrophobicContact CD2-CG2 3.62Å; F42-I72 HydrophobicContact CE2-CG2 3.72Å; F42-I74 HydrophobicContact CE2-CG1 4.42Å
43	S	98	Very high	90.3	Very high	50 Å²	50	78.3 Å²	78.3	35%	0.35	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	124.9	-168.8	-166.1	0	0	0	0	110.9	L45 Q65	S43-L45 PolarHBondContact O-N 3.08Å; S43-Q65 VanDerWaalsContact CA-O 3.28Å; S43-Q65 WeakPolarHBondContact CA-O 3.42Å; S43-Q65 WeakPolarHBondContact OG-CG 3.28Å; S43-Q65 PolarHBondContact OG-NE2 2.94Å
44	G	98.1	Very high	92.1	Very high	42 Å²	42	71.8 Å²	71.8	43%	0.433	38%	0.38	S	S	.	.	S	Bend	trans	66.8	16	172.6	0	0	0	0	0	115.5	Q65 D66	G44-Q65 PolarHBondContact N-O 2.84Å; G44-D66 WeakPolarHBondContact CA-O 3.18Å
45	L	98.4	Very high	93.6	Very high	32 Å²	32	64.5 Å²	64.5	17%	0.168	36%	0.364	C	S	.	.			trans	-71.6	145.6	-180	-55	-176.8	0	0	0	110.7	F42 S43 V50 C67 E68 C70	F42-L45 HydrophobicContact CB-CD1 3.9Å; F42-L45 HydrophobicContact CD1-CD1 3.9Å; F42-L45 HydrophobicContact CG-CD1 4.13Å; S43-L45 PolarHBondContact O-N 3.08Å; L45-V50 HydrophobicContact CD1-CB 4.38Å; L45-V50 HydrophobicContact CD1-CG1 3.88Å; L45-V50 HydrophobicContact CD1-CG2 3.74Å; L45-C67 WeakPolarHBondContact O-CA 3.46Å; L45-E68 PolarHBondContact O-N 3.36Å; L45-C70 VanDerWaalsContact C-SG 3.52Å; L45-C70 PolarHBondContact O-SG 3.46Å; L45-C70 VanDerWaalsContact O-SG 3.35Å
46	K	98.7	Very high	94.8	Very high	115 Å²	115	63.8 Å²	63.8	50%	0.5	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-138.9	130.4	179.8	-61.6	-157.3	176.5	-146.9	0	112.3	E48 E68	K46-E48 PolarHBondContact O-N 3.17Å; K46-E68 WeakPolarHBondContact CA-O 2.96Å; K46-E68 HydrophobicContact CD-CB 4.44Å; K46-E68 HydrophobicContact CG-CB 4.27Å; K46-E68 IonicContact NZ-OE2 3.75Å; K46-E68 PolarHBondContact NZ-OE2 3.07Å
47	D	98.4	Very high	95.7	Very high	122 Å²	122	60.4 Å²	60.4	65%	0.652	34%	0.343	S	S	*	.	S	Bend	trans	57.9	27.7	177.7	-51.1	-66.3	0	0	0	113.4	E68 N69	D47-E68 PolarHBondContact N-O 2.76Å; D47-N69 WeakPolarHBondContact OD1-CB 3.23Å; D47-N69 PolarHBondContact OD1-ND2 3.37Å
48	E	98.1	Very high	96.5	Very high	84 Å²	84	58.3 Å²	58.3	39%	0.393	33%	0.334	S	S	.	.			trans	-106.7	156.5	-173.7	-80.5	179.7	-113.8	0	0	113.4	K46 V50 C70 N71	K46-E48 PolarHBondContact O-N 3.17Å; E48-V50 HydrophobicContact CB-CG1 4.33Å; E48-C70 CarbonylContact O-C 3.54Å; E48-C70 VanDerWaalsContact O-CA 3.25Å; E48-C70 WeakPolarHBondContact O-CA 3.35Å; E48-N71 PolarHBondContact O-N 2.81Å
49	T	98.5	Very high	97.2	Very high	52 Å²	52	52.4 Å²	52.4	32%	0.319	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.2	165.9	-63.6	0	0	0	0	109.3	N71 Y73 T204 L207	T49-N71 CarbonylContact C-O 3.51Å; T49-N71 VanDerWaalsContact CA-O 3.3Å; T49-N71 WeakPolarHBondContact CA-O 3.24Å; T49-N71 HydrophobicContact CG2-CB 4.03Å; T49-N71 PolarHBondContact OG1-ND2 3.03Å; T49-Y73 HydrophobicContact CG2-CD2 4.39Å; T49-Y73 HydrophobicContact CG2-CE2 4.05Å; T49-T204 HydrophobicContact CG2-CG2 3.69Å; T49-L207 HydrophobicContact CG2-CD1 4.43Å
50	V	98.3	Very high	97.6	Very high	25 Å²	25	52.1 Å²	52.1	15%	0.152	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	165.2	-174.1	-64	0	0	0	0	111.5	F42 L45 E48 N71 I72 Y73	F42-V50 HydrophobicContact CD1-CB 4.37Å; F42-V50 HydrophobicContact CD1-CG2 3.92Å; F42-V50 HydrophobicContact CD2-CG2 3.98Å; F42-V50 HydrophobicContact CE1-CB 3.87Å; F42-V50 HydrophobicContact CE1-CG2 3.82Å; F42-V50 HydrophobicContact CE2-CG2 3.91Å; F42-V50 HydrophobicContact CG-CG2 4Å; F42-V50 HydrophobicContact CZ-CB 3.96Å; F42-V50 HydrophobicContact CZ-CG2 3.82Å; L45-V50 HydrophobicContact CD1-CB 4.38Å; L45-V50 HydrophobicContact CD1-CG1 3.88Å; L45-V50 HydrophobicContact CD1-CG2 3.74Å; E48-V50 HydrophobicContact CB-CG1 4.33Å; V50-N71 PolarHBondContact N-O 2.83Å; V50-I72 HydrophobicContact CG2-CG1 3.99Å; V50-I72 HydrophobicContact CG2-CG2 4.42Å; V50-I72 WeakPolarHBondContact O-CA 3.45Å; V50-Y73 PolarHBondContact O-N 2.95Å
51	G	97.9	Very high	97.7	Very high	17 Å²	17	55.3 Å²	55.3	18%	0.175	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-173	176.4	0	0	0	0	0	115.5	Y73	G51-Y73 CarbonylContact C-O 3.55Å; G51-Y73 WeakPolarHBondContact CA-O 3.45Å
52	R	98.1	Very high	97.8	Very high	58 Å²	58	52.7 Å²	52.7	22%	0.219	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.2	177.5	-71.5	-68.5	175.7	-87.7	0.2	108.4	D39 F42 T56 V57 F62 Y73 I74 F75	D39-R52 PolarHBondContact O-NE 2.93Å; D39-R52 VanDerWaalsContact O-NE 3.07Å; D39-R52 PolarHBondContact O-NH2 3Å; F42-R52 HydrophobicContact CZ-CG 4.42Å; F42-R52 VanDerWaalsContact CZ-NH1 3.31Å; R52-T56 WeakPolarHBondContact CB-OG1 3.19Å; R52-V57 HydrophobicContact CB-CG2 3.73Å; R52-V57 HydrophobicContact CG-CG2 3.76Å; R52-F62 HydrophobicContact CG-CE2 3.79Å; R52-F62 HydrophobicContact CG-CZ 4.16Å; R52-Y73 PolarHBondContact N-O 2.88Å; R52-I74 HydrophobicContact CB-CG2 4.26Å; R52-F75 WeakPolarHBondContact O-CB 3.36Å; R52-F75 PolarHBondContact O-N 2.84Å
53	L	98.2	Very high	97.8	Very high	59 Å²	59	54 Å²	54	31%	0.309	32%	0.321	S	S	.	.			trans	-85.3	161.4	178.8	-68	178.6	0	0	0	110.9	G55 T56 L207 A209 V210	L53-G55 PolarHBondContact O-N 2.91Å; L53-T56 HydrophobicContact CB-CG2 4.11Å; L53-T56 PolarHBondContact N-OG1 2.89Å; L53-T56 WeakPolarHBondContact O-CB 3.36Å; L53-T56 PolarHBondContact O-N 2.89Å; L53-T56 PolarHBondContact O-OG1 3.03Å; L53-L207 HydrophobicContact CD2-CD2 4.13Å; L53-A209 HydrophobicContact CD2-CB 4.48Å; L53-V210 HydrophobicContact CD2-CG2 3.65Å
54	P	98.5	Very high	97.8	Very high	40 Å²	40	51.6 Å²	51.6	26%	0.26	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	132.6	173.7	-27.7	35	0	0	0	112.5	T56 F75 E154 V210	P54-T56 VanDerWaalsContact C-N 3.33Å; P54-F75 VanDerWaalsContact CA-O 3.32Å; P54-F75 WeakPolarHBondContact CA-O 3.41Å; P54-F75 HydrophobicContact CG-CB 4.38Å; P54-F75 WeakPolarHBondContact CG-O 3.3Å; P54-E154 HydrophobicContact CB-CB 4.06Å; P54-E154 HydrophobicContact CB-CG 3.81Å; P54-E154 HydrophobicContact CG-CB 4.17Å; P54-E154 HydrophobicContact CG-CG 3.93Å; P54-V210 HydrophobicContact CG-CG2 4.19Å
55	G	96.6	Very high	97.8	Very high	57 Å²	57	51.9 Å²	51.9	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-3.2	-178.1	0	0	0	0	0	115.6	L53 D76	L53-G55 PolarHBondContact O-N 2.91Å; G55-D76 VanDerWaalsContact C-OD2 3.24Å; G55-D76 WeakPolarHBondContact CA-OD2 3.44Å; G55-D76 PolarHBondContact N-OD2 3.34Å
56	T	96.6	Very high	97.8	Very high	63 Å²	63	54.4 Å²	54.4	39%	0.387	31%	0.308	S	S	.	.	S	Bend	trans	-92.7	-10	-179.5	66	0	0	0	0	114.7	R52 L53 P54 D76	R52-T56 WeakPolarHBondContact CB-OG1 3.19Å; L53-T56 HydrophobicContact CB-CG2 4.11Å; L53-T56 PolarHBondContact N-OG1 2.89Å; L53-T56 WeakPolarHBondContact O-CB 3.36Å; L53-T56 PolarHBondContact O-N 2.89Å; L53-T56 PolarHBondContact O-OG1 3.03Å; P54-T56 VanDerWaalsContact C-N 3.33Å; T56-D76 PolarHBondContact N-OD2 2.84Å; T56-D76 VanDerWaalsContact N-OD2 3.12Å
57	V	97.4	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-110.8	-33.9	171	-173.8	0	0	0	0	111.5	Y40 R52 G59 Q60 F62 I74 D76 S78	Y40-V57 HydrophobicContact CD1-CG1 4.2Å; Y40-V57 HydrophobicContact CE1-CG1 4.23Å; R52-V57 HydrophobicContact CB-CG2 3.73Å; R52-V57 HydrophobicContact CG-CG2 3.76Å; V57-G59 PolarHBondContact O-N 3.25Å; V57-G59 VanDerWaalsContact O-N 3.08Å; V57-Q60 HydrophobicContact CG1-CB 4.33Å; V57-Q60 WeakPolarHBondContact O-CB 3.25Å; V57-Q60 VanDerWaalsContact O-CG 3.28Å; V57-Q60 WeakPolarHBondContact O-CG 3.28Å; V57-Q60 PolarHBondContact O-N 2.71Å; V57-F62 HydrophobicContact CG1-CD2 4.21Å; V57-F62 HydrophobicContact CG2-CD2 4.09Å; V57-F62 HydrophobicContact CG2-CE2 4.26Å; V57-I74 HydrophobicContact CG2-CG2 3.93Å; V57-D76 HydrophobicContact CB-CB 4.02Å; V57-D76 HydrophobicContact CG2-CB 4.24Å; V57-D76 PolarHBondContact N-OD2 3.21Å; V57-S78 WeakPolarHBondContact CG1-OG 3.4Å
58	A	96.6	Very high	97.9	Very high	57 Å²	57	46 Å²	46	47%	0.471	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	42.9	170	0	0	0	0	0	114.5	Q60 D76	A58-Q60 VanDerWaalsContact C-N 3.34Å; A58-Q60 PolarHBondContact O-N 2.87Å; A58-D76 PolarHBondContact N-OD2 3.03Å
59	G	96.5	Very high	97.9	Very high	22 Å²	22	44.7 Å²	44.7	23%	0.227	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	9.7	176.8	0	0	0	0	0	115.3	V57 H77 A79	V57-G59 PolarHBondContact O-N 3.25Å; V57-G59 VanDerWaalsContact O-N 3.08Å; G59-H77 WeakPolarHBondContact CA-O 3.3Å; G59-H77 PolarHBondContact N-CE1 3.09Å; G59-H77 PolarHBondContact N-NE2 3.11Å; G59-H77 PolarHBondContact N-O 3.01Å; G59-A79 VanDerWaalsContact O-CB 3.24Å; G59-A79 WeakPolarHBondContact O-CB 3.32Å; G59-A79 PolarHBondContact O-N 3.21Å; G59-A79 VanDerWaalsContact O-N 3.17Å
60	Q	96.8	Very high	97.9	Very high	85 Å²	85	42.2 Å²	42.2	40%	0.397	25%	0.247	S	C	.	.			trans	-70.4	167.4	170.8	-62.2	-57.8	-31.1	0	0	112.2	Y40 V57 A58 S78 A79	Y40-Q60 HydrophobicContact CD1-CB 3.51Å; Y40-Q60 HydrophobicContact CD1-CG 4.08Å; Y40-Q60 HydrophobicContact CE1-CB 3.38Å; Y40-Q60 HydrophobicContact CE1-CG 3.46Å; Y40-Q60 VanDerWaalsContact CE1-CG 3.46Å; Y40-Q60 HydrophobicContact CG-CB 4.45Å; V57-Q60 HydrophobicContact CG1-CB 4.33Å; V57-Q60 WeakPolarHBondContact O-CB 3.25Å; V57-Q60 VanDerWaalsContact O-CG 3.28Å; V57-Q60 WeakPolarHBondContact O-CG 3.28Å; V57-Q60 PolarHBondContact O-N 2.71Å; A58-Q60 VanDerWaalsContact C-N 3.34Å; A58-Q60 PolarHBondContact O-N 2.87Å; Q60-S78 CarbonylContact O-C 3.52Å; Q60-S78 VanDerWaalsContact O-CA 3.3Å; Q60-S78 WeakPolarHBondContact O-CA 3.39Å; Q60-S78 WeakPolarHBondContact O-CB 3.36Å; Q60-A79 PolarHBondContact O-N 2.68Å
61	Q	96.9	Very high	97.9	Very high	111 Å²	111	43.1 Å²	43.1	52%	0.519	25%	0.251	S	S	.	.			trans	-71	146.7	166.8	170.3	169	-9.6	0	0	110.1	Y40 T80	Y40-Q61 WeakPolarHBondContact CB-O 3.34Å; Q61-T80 WeakPolarHBondContact CA-O 3.44Å; Q61-T80 HydrophobicContact CB-CG2 3.98Å; Q61-T80 HydrophobicContact CG-CG2 3.63Å
62	F	98.3	Very high	98	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.8	172.4	-149.4	-81.8	0	0	0	111.4	Y40 F42 R52 V57 I64 I74 T80 I81 T82	Y40-F62 HydrophobicContact CD1-CD2 4.34Å; Y40-F62 CarbonylContact O-C 3.59Å; Y40-F62 WeakPolarHBondContact O-CA 3.48Å; Y40-F62 WeakPolarHBondContact O-CG 3.09Å; F42-F62 AromaticContact CD2-CE1 3.47Å; F42-F62 HydrophobicContact CD2-CE1 3.47Å; F42-F62 VanDerWaalsContact CD2-CE1 3.47Å; F42-F62 AromaticContact CD2-CZ 3.78Å; F42-F62 HydrophobicContact CD2-CZ 3.78Å; F42-F62 HydrophobicContact CE1-CZ 4.49Å; F42-F62 AromaticContact CE2-CE1 3.74Å; F42-F62 HydrophobicContact CE2-CE1 3.74Å; F42-F62 AromaticContact CE2-CZ 3.61Å; F42-F62 HydrophobicContact CE2-CZ 3.61Å; F42-F62 HydrophobicContact CG-CE1 4.04Å; F42-F62 HydrophobicContact CG-CZ 4.29Å; F42-F62 HydrophobicContact CZ-CZ 4Å; R52-F62 HydrophobicContact CG-CE2 3.79Å; R52-F62 HydrophobicContact CG-CZ 4.16Å; V57-F62 HydrophobicContact CG1-CD2 4.21Å; V57-F62 HydrophobicContact CG2-CD2 4.09Å; V57-F62 HydrophobicContact CG2-CE2 4.26Å; F62-I64 HydrophobicContact CD1-CG1 4.13Å; F62-I64 HydrophobicContact CE1-CG1 4.28Å; F62-I74 HydrophobicContact CB-CD1 4.41Å; F62-I74 HydrophobicContact CD1-CD1 3.49Å; F62-I74 VanDerWaalsContact CD1-CD1 3.49Å; F62-I74 HydrophobicContact CD2-CD1 4.15Å; F62-I74 HydrophobicContact CE1-CD1 3.71Å; F62-I74 HydrophobicContact CE2-CD1 4.33Å; F62-I74 HydrophobicContact CG-CD1 3.75Å; F62-I74 HydrophobicContact CZ-CD1 4.12Å; F62-T80 PolarHBondContact N-O 3.2Å; F62-I81 HydrophobicContact CB-CD1 4.28Å; F62-I81 HydrophobicContact CB-CG1 4.03Å; F62-I81 HydrophobicContact CB-CG2 4.48Å; F62-I81 WeakPolarHBondContact O-CA 3.47Å; F62-T82 PolarHBondContact O-N 2.89Å
63	L	98.5	Very high	98	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.215	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.4	176.4	179.9	60.2	0	0	0	111	Y40 M41 F42 Q65 T82	Y40-L63 PolarHBondContact O-N 3.44Å; M41-L63 CarbonylContact C-O 3.52Å; M41-L63 WeakPolarHBondContact CA-O 3.33Å; M41-L63 HydrophobicContact CB-CB 4.12Å; M41-L63 HydrophobicContact CE-CD2 4.3Å; F42-L63 PolarHBondContact N-O 2.97Å; L63-Q65 HydrophobicContact CG-CG 4.49Å; L63-T82 HydrophobicContact CD1-CG2 4.35Å
64	I	98.8	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.5	170.5	-56.1	171.4	0	0	0	106.3	F42 F62 I72 I74 I81 T82 I83 D84 I91 L93	F42-I64 HydrophobicContact CD2-CG1 4.47Å; F42-I64 CarbonylContact O-C 3.51Å; F42-I64 WeakPolarHBondContact O-CA 3.4Å; F62-I64 HydrophobicContact CD1-CG1 4.13Å; F62-I64 HydrophobicContact CE1-CG1 4.28Å; I64-I72 HydrophobicContact CD1-CD1 4.42Å; I64-I72 HydrophobicContact CD1-CG2 3.93Å; I64-I72 HydrophobicContact CG2-CD1 3.52Å; I64-I74 HydrophobicContact CD1-CD1 4.26Å; I64-I81 HydrophobicContact CD1-CG2 4.44Å; I64-T82 PolarHBondContact N-O 3.06Å; I64-I83 HydrophobicContact CB-CG1 4.32Å; I64-I83 HydrophobicContact CB-CG2 4.23Å; I64-I83 HydrophobicContact CD1-CG1 4.17Å; I64-I83 HydrophobicContact CG2-CG2 4.24Å; I64-I83 CarbonylContact O-C 3.51Å; I64-I83 VanDerWaalsContact O-CA 3.25Å; I64-I83 WeakPolarHBondContact O-CA 3.21Å; I64-D84 PolarHBondContact O-N 2.65Å; I64-I91 HydrophobicContact CD1-CG2 4.21Å; I64-L93 HydrophobicContact CD1-CD2 4.11Å
65	Q	98.4	Very high	98	Very high	48 Å²	48	35 Å²	35	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.8	-178	68	-176.8	8.7	0	0	112.5	F42 S43 G44 L63 C67 D84	F42-Q65 PolarHBondContact O-N 3.33Å; S43-Q65 VanDerWaalsContact CA-O 3.28Å; S43-Q65 WeakPolarHBondContact CA-O 3.42Å; S43-Q65 WeakPolarHBondContact OG-CG 3.28Å; S43-Q65 PolarHBondContact OG-NE2 2.94Å; G44-Q65 PolarHBondContact N-O 2.84Å; L63-Q65 HydrophobicContact CG-CG 4.49Å; Q65-C67 PolarHBondContact O-N 3.12Å; Q65-C67 PolarHBondContact O-SG 3.06Å; Q65-D84 CarbonylContact C-O 3.55Å; Q65-D84 VanDerWaalsContact CA-O 3.3Å; Q65-D84 WeakPolarHBondContact CA-O 3.4Å; Q65-D84 HydrophobicContact CB-CB 3.98Å
66	D	98.6	Very high	98.2	Very high	86 Å²	86	32.5 Å²	32.5	46%	0.46	18%	0.179	S	C	.	.	S	Bend	trans	55	23.4	173.6	-55	-61.5	0	0	0	115.1	G44 D84	G44-D66 WeakPolarHBondContact CA-O 3.18Å; D66-D84 PolarHBondContact N-O 2.98Å
67	C	98.8	Very high	98.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.167	C	C	.	.			trans	-87.7	136.3	-177.3	-65	0	0	0	0	111.7	L45 Q65 C70 I72 C86 T87 C89	L45-C67 WeakPolarHBondContact O-CA 3.46Å; Q65-C67 PolarHBondContact O-N 3.12Å; Q65-C67 PolarHBondContact O-SG 3.06Å; C67-C70 HydrophobicContact CB-CB 4.3Å; C67-I72 HydrophobicContact CB-CD1 4.32Å; C67-C86 CarbonylContact O-C 3.51Å; C67-C86 VanDerWaalsContact O-CA 3.28Å; C67-C86 WeakPolarHBondContact O-CA 3.44Å; C67-T87 PolarHBondContact O-N 2.84Å; C67-C89 PolarHBondContact O-SG 2.81Å; C67-C89 VanDerWaalsContact O-SG 3.38Å
68	E	98.9	Very high	98.3	Very high	59 Å²	59	31 Å²	31	28%	0.276	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-128.3	133.8	-179.6	-174.6	169.6	-157	0	0	111.2	L45 K46 D47 C70 T87	L45-E68 PolarHBondContact O-N 3.36Å; K46-E68 WeakPolarHBondContact CA-O 2.96Å; K46-E68 HydrophobicContact CD-CB 4.44Å; K46-E68 HydrophobicContact CG-CB 4.27Å; K46-E68 IonicContact NZ-OE2 3.75Å; K46-E68 PolarHBondContact NZ-OE2 3.07Å; D47-E68 PolarHBondContact N-O 2.76Å; E68-C70 PolarHBondContact O-N 2.65Å; E68-C70 VanDerWaalsContact O-N 3.14Å; E68-C70 PolarHBondContact O-SG 2.96Å; E68-T87 CarbonylContact C-O 3.55Å; E68-T87 WeakPolarHBondContact CA-O 3.44Å; E68-T87 HydrophobicContact CG-CG2 4.21Å
69	N	98.8	Very high	98.4	Very high	57 Å²	57	30.1 Å²	30.1	31%	0.305	16%	0.16	S	C	.	.	S	Bend	trans	56	27.8	179.7	-54.6	-25.8	0	0	0	114.2	D47 T87 N88	D47-N69 WeakPolarHBondContact OD1-CB 3.23Å; D47-N69 PolarHBondContact OD1-ND2 3.37Å; N69-T87 PolarHBondContact N-O 3.06Å; N69-N88 WeakPolarHBondContact CA-O 3.28Å; N69-N88 PolarHBondContact OD1-ND2 3.35Å
70	C	98.8	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.			trans	-98.8	143.8	-171.7	-70.9	0	0	0	0	113.2	L45 E48 C67 E68 I72 C89 I90	L45-C70 VanDerWaalsContact C-SG 3.52Å; L45-C70 PolarHBondContact O-SG 3.46Å; L45-C70 VanDerWaalsContact O-SG 3.35Å; E48-C70 CarbonylContact O-C 3.54Å; E48-C70 VanDerWaalsContact O-CA 3.25Å; E48-C70 WeakPolarHBondContact O-CA 3.35Å; C67-C70 HydrophobicContact CB-CB 4.3Å; E68-C70 PolarHBondContact O-N 2.65Å; E68-C70 VanDerWaalsContact O-N 3.14Å; E68-C70 PolarHBondContact O-SG 2.96Å; C70-I72 HydrophobicContact CB-CD1 4.22Å; C70-I72 HydrophobicContact CB-CG1 4.07Å; C70-C89 CarbonylContact O-C 3.49Å; C70-C89 WeakPolarHBondContact O-CA 3.26Å; C70-C89 WeakPolarHBondContact O-CB 3.39Å; C70-I90 PolarHBondContact O-N 2.9Å
71	N	98.8	Very high	98.6	Very high	44 Å²	44	26.3 Å²	26.3	24%	0.235	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.2	167.8	-49.1	-52.7	0	0	0	109.4	E48 T49 V50 Y73 I90	E48-N71 PolarHBondContact O-N 2.81Å; T49-N71 CarbonylContact C-O 3.51Å; T49-N71 VanDerWaalsContact CA-O 3.3Å; T49-N71 WeakPolarHBondContact CA-O 3.24Å; T49-N71 HydrophobicContact CG2-CB 4.03Å; T49-N71 PolarHBondContact OG1-ND2 3.03Å; V50-N71 PolarHBondContact N-O 2.83Å; N71-Y73 HydrophobicContact CB-CE2 3.59Å; N71-I90 CarbonylContact C-O 3.6Å; N71-I90 WeakPolarHBondContact CA-O 3.49Å; N71-I90 HydrophobicContact CB-CB 4.41Å; N71-I90 WeakPolarHBondContact OD1-CB 3.33Å; N71-I90 WeakPolarHBondContact OD1-CD1 3.21Å; N71-I90 WeakPolarHBondContact OD1-CG1 3.37Å
72	I	98.8	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	118.6	-169	-55.3	-180	0	0	0	109.5	F42 V50 I64 C67 C70 I74 I90 I91 F92	F42-I72 HydrophobicContact CD2-CG2 3.62Å; F42-I72 HydrophobicContact CE2-CG2 3.72Å; V50-I72 HydrophobicContact CG2-CG1 3.99Å; V50-I72 HydrophobicContact CG2-CG2 4.42Å; V50-I72 WeakPolarHBondContact O-CA 3.45Å; I64-I72 HydrophobicContact CD1-CD1 4.42Å; I64-I72 HydrophobicContact CD1-CG2 3.93Å; I64-I72 HydrophobicContact CG2-CD1 3.52Å; C67-I72 HydrophobicContact CB-CD1 4.32Å; C70-I72 HydrophobicContact CB-CD1 4.22Å; C70-I72 HydrophobicContact CB-CG1 4.07Å; I72-I74 HydrophobicContact CG2-CG1 4.42Å; I72-I90 PolarHBondContact N-O 2.89Å; I72-I91 HydrophobicContact CB-CG2 4.48Å; I72-I91 CarbonylContact O-C 3.42Å; I72-I91 WeakPolarHBondContact O-CA 3.4Å; I72-F92 PolarHBondContact O-N 2.96Å
73	Y	98.8	Very high	98.7	Very high	4 Å²	4	22 Å²	22	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	103.9	-176.7	-55.8	-91.7	0	0	0	111.9	T49 V50 G51 R52 N71 F75 F92 V199 P200 P202 L207	T49-Y73 HydrophobicContact CG2-CD2 4.39Å; T49-Y73 HydrophobicContact CG2-CE2 4.05Å; V50-Y73 PolarHBondContact O-N 2.95Å; G51-Y73 CarbonylContact C-O 3.55Å; G51-Y73 WeakPolarHBondContact CA-O 3.45Å; R52-Y73 PolarHBondContact N-O 2.88Å; N71-Y73 HydrophobicContact CB-CE2 3.59Å; Y73-F75 AromaticContact CD1-CZ 3.89Å; Y73-F75 HydrophobicContact CD1-CZ 3.89Å; Y73-F75 HydrophobicContact CG-CE2 4.28Å; Y73-F75 HydrophobicContact CG-CZ 4.09Å; Y73-F92 HydrophobicContact CD1-CB 3.66Å; Y73-F92 HydrophobicContact CE1-CB 4.37Å; Y73-F92 HydrophobicContact CG-CB 4.46Å; Y73-V199 HydrophobicContact CE1-CG1 4.49Å; Y73-P200 WeakPolarHBondContact CE1-O 3.42Å; Y73-P200 PolarHBondContact OH-O 2.87Å; Y73-P200 VanDerWaalsContact OH-O 3.12Å; Y73-P202 HydrophobicContact CD1-CB 4.45Å; Y73-P202 HydrophobicContact CD1-CG 4.07Å; Y73-P202 HydrophobicContact CD2-CB 3.85Å; Y73-P202 HydrophobicContact CD2-CG 4.23Å; Y73-P202 HydrophobicContact CE1-CB 4.39Å; Y73-P202 HydrophobicContact CE1-CG 4.26Å; Y73-P202 HydrophobicContact CE2-CB 3.74Å; Y73-P202 HydrophobicContact CE2-CG 4.38Å; Y73-P202 HydrophobicContact CG-CB 4.22Å; Y73-P202 HydrophobicContact CG-CG 4.07Å; Y73-L207 HydrophobicContact CD2-CD1 3.73Å; Y73-L207 HydrophobicContact CG-CD1 4.22Å
74	I	98.7	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	92.2	176.5	-59.2	-179.5	0	0	0	108.3	F42 R52 V57 F62 I64 I72 D76 I81 F92 L93 G94	F42-I74 HydrophobicContact CE2-CG1 4.42Å; R52-I74 HydrophobicContact CB-CG2 4.26Å; V57-I74 HydrophobicContact CG2-CG2 3.93Å; F62-I74 HydrophobicContact CB-CD1 4.41Å; F62-I74 HydrophobicContact CD1-CD1 3.49Å; F62-I74 VanDerWaalsContact CD1-CD1 3.49Å; F62-I74 HydrophobicContact CD2-CD1 4.15Å; F62-I74 HydrophobicContact CE1-CD1 3.71Å; F62-I74 HydrophobicContact CE2-CD1 4.33Å; F62-I74 HydrophobicContact CG-CD1 3.75Å; F62-I74 HydrophobicContact CZ-CD1 4.12Å; I64-I74 HydrophobicContact CD1-CD1 4.26Å; I72-I74 HydrophobicContact CG2-CG1 4.42Å; I74-D76 PolarHBondContact O-N 3.02Å; I74-D76 VanDerWaalsContact O-N 3.08Å; I74-I81 HydrophobicContact CD1-CD1 4.37Å; I74-F92 PolarHBondContact N-O 3.28Å; I74-F92 WeakPolarHBondContact O-CE1 3.48Å; I74-L93 HydrophobicContact CB-CD2 4.41Å; I74-L93 HydrophobicContact CD1-CD2 3.98Å; I74-L93 HydrophobicContact CG1-CD2 4.38Å; I74-G94 PolarHBondContact O-N 2.85Å
75	F	98.8	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.			trans	-84.4	42.2	-179.2	-62.9	-59.1	0	0	0	113.1	R52 P54 Y73 F92 W150 Y152 Q158 P202 L207 V210 V212	R52-F75 WeakPolarHBondContact O-CB 3.36Å; R52-F75 PolarHBondContact O-N 2.84Å; P54-F75 VanDerWaalsContact CA-O 3.32Å; P54-F75 WeakPolarHBondContact CA-O 3.41Å; P54-F75 HydrophobicContact CG-CB 4.38Å; P54-F75 WeakPolarHBondContact CG-O 3.3Å; Y73-F75 AromaticContact CD1-CZ 3.89Å; Y73-F75 HydrophobicContact CD1-CZ 3.89Å; Y73-F75 HydrophobicContact CG-CE2 4.28Å; Y73-F75 HydrophobicContact CG-CZ 4.09Å; F75-F92 AromaticContact CD1-CD1 3.49Å; F75-F92 HydrophobicContact CD1-CD1 3.49Å; F75-F92 VanDerWaalsContact CD1-CD1 3.49Å; F75-F92 AromaticContact CD1-CE1 3.51Å; F75-F92 HydrophobicContact CD1-CE1 3.51Å; F75-F92 HydrophobicContact CD1-CG 4.4Å; F75-F92 HydrophobicContact CD1-CZ 4.41Å; F75-F92 AromaticContact CE1-CD1 3.53Å; F75-F92 HydrophobicContact CE1-CD1 3.53Å; F75-F92 AromaticContact CE1-CE1 3.9Å; F75-F92 HydrophobicContact CE1-CE1 3.9Å; F75-F92 HydrophobicContact CE1-CG 4.01Å; F75-F92 HydrophobicContact CG-CD1 4.47Å; F75-W150 HydrophobicContact CE1-CZ2 4.24Å; F75-W150 AromaticContact CE1-NE1 3.89Å; F75-Y152 WeakPolarHBondContact CA-OH 3.35Å; F75-Y152 HydrophobicContact CB-CE2 4.24Å; F75-Y152 HydrophobicContact CD1-CD1 4.11Å; F75-Y152 AromaticContact CD1-CE1 3.62Å; F75-Y152 HydrophobicContact CD1-CE1 3.62Å; F75-Y152 AromaticContact CD1-CZ 3.92Å; F75-Y152 HydrophobicContact CE1-CE1 4.31Å; F75-Q158 PolarHBondContact O-NE2 3.12Å; F75-P202 HydrophobicContact CE2-CG 3.85Å; F75-P202 HydrophobicContact CZ-CG 3.77Å; F75-L207 HydrophobicContact CD2-CD2 4.31Å; F75-L207 HydrophobicContact CE2-CB 4.42Å; F75-L207 HydrophobicContact CE2-CD2 4.3Å; F75-V210 HydrophobicContact CB-CG1 4.22Å; F75-V210 HydrophobicContact CB-CG2 4.05Å; F75-V210 HydrophobicContact CD1-CG1 4.03Å; F75-V210 HydrophobicContact CD2-CB 3.91Å; F75-V210 HydrophobicContact CD2-CG1 4.06Å; F75-V210 HydrophobicContact CD2-CG2 3.59Å; F75-V210 HydrophobicContact CE1-CG1 4.39Å; F75-V210 HydrophobicContact CE2-CB 4.12Å; F75-V210 HydrophobicContact CE2-CG1 4.38Å; F75-V210 HydrophobicContact CE2-CG2 4.22Å; F75-V210 HydrophobicContact CG-CB 4.22Å; F75-V210 HydrophobicContact CG-CG1 3.86Å; F75-V210 HydrophobicContact CG-CG2 3.97Å; F75-V212 HydrophobicContact CE1-CG2 3.85Å; F75-V212 HydrophobicContact CZ-CG2 3.86Å
76	D	98.8	Very high	98.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.121	C	C	.	.	S	Bend	trans	-150.2	160.1	178.5	-160	5.7	0	0	0	112.2	G55 T56 V57 A58 I74 G94 Q158	G55-D76 VanDerWaalsContact C-OD2 3.24Å; G55-D76 WeakPolarHBondContact CA-OD2 3.44Å; G55-D76 PolarHBondContact N-OD2 3.34Å; T56-D76 PolarHBondContact N-OD2 2.84Å; T56-D76 VanDerWaalsContact N-OD2 3.12Å; V57-D76 HydrophobicContact CB-CB 4.02Å; V57-D76 HydrophobicContact CG2-CB 4.24Å; V57-D76 PolarHBondContact N-OD2 3.21Å; A58-D76 PolarHBondContact N-OD2 3.03Å; I74-D76 PolarHBondContact O-N 3.02Å; I74-D76 VanDerWaalsContact O-N 3.08Å; D76-G94 WeakPolarHBondContact O-CA 3.33Å; D76-Q158 PolarHBondContact OD1-NE2 3.18Å
77	H	98.7	Very high	98.7	Very high	30 Å²	30	18.7 Å²	18.7	14%	0.139	11%	0.105	C	C	.	.			trans	-73.4	150	175.6	73.6	-62.9	0	0	0	112.3	G59 P95 Q158 A162	G59-H77 WeakPolarHBondContact CA-O 3.3Å; G59-H77 PolarHBondContact N-CE1 3.09Å; G59-H77 PolarHBondContact N-NE2 3.11Å; G59-H77 PolarHBondContact N-O 3.01Å; H77-P95 CarbonylContact C-O 3.59Å; H77-P95 WeakPolarHBondContact CA-O 3.34Å; H77-P95 HydrophobicContact CB-CB 4.48Å; H77-P95 WeakPolarHBondContact CB-O 3.29Å; H77-Q158 HydrophobicContact CB-CB 4.05Å; H77-Q158 HydrophobicContact CB-CG 4.47Å; H77-A162 HydrophobicContact CB-CB 4.31Å
78	S	98.7	Very high	98.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-139.4	156.5	-175.5	-59.9	0	0	0	0	111.6	V57 Q60 P95 V96 K97	V57-S78 WeakPolarHBondContact CG1-OG 3.4Å; Q60-S78 CarbonylContact O-C 3.52Å; Q60-S78 VanDerWaalsContact O-CA 3.3Å; Q60-S78 WeakPolarHBondContact O-CA 3.39Å; Q60-S78 WeakPolarHBondContact O-CB 3.36Å; S78-P95 PolarHBondContact N-O 2.85Å; S78-V96 CarbonylContact O-C 3.52Å; S78-V96 WeakPolarHBondContact O-CA 3.38Å; S78-K97 PolarHBondContact O-N 3.2Å
79	A	98.1	Very high	98.7	Very high	39 Å²	39	20 Å²	20	32%	0.322	11%	0.114	S	C	.	.	S	Bend	trans	-71.3	-52	173.9	0	0	0	0	0	111.9	G59 Q60 G98	G59-A79 VanDerWaalsContact O-CB 3.24Å; G59-A79 WeakPolarHBondContact O-CB 3.32Å; G59-A79 PolarHBondContact O-N 3.21Å; G59-A79 VanDerWaalsContact O-N 3.17Å; Q60-A79 PolarHBondContact O-N 2.68Å; A79-G98 WeakPolarHBondContact O-CA 3.38Å; A79-G98 PolarHBondContact O-N 3.16Å
80	T	98.5	Very high	98.7	Very high	28 Å²	28	18.9 Å²	18.9	17%	0.172	11%	0.108	C	C	.	.			trans	-156.4	148	-179.6	-172.4	0	0	0	0	108	Q61 F62 S99	Q61-T80 WeakPolarHBondContact CA-O 3.44Å; Q61-T80 HydrophobicContact CB-CG2 3.98Å; Q61-T80 HydrophobicContact CG-CG2 3.63Å; F62-T80 PolarHBondContact N-O 3.2Å; T80-S99 WeakPolarHBondContact CA-O 3.3Å; T80-S99 PolarHBondContact OG1-O 3.02Å; T80-S99 PolarHBondContact OG1-OG 3.19Å
81	I	98.8	Very high	98.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.4	176.6	-54.5	-173.5	0	0	0	109.2	F62 I64 I74 I83 L93 V96 S99 V100 F101	F62-I81 HydrophobicContact CB-CD1 4.28Å; F62-I81 HydrophobicContact CB-CG1 4.03Å; F62-I81 HydrophobicContact CB-CG2 4.48Å; F62-I81 WeakPolarHBondContact O-CA 3.47Å; I64-I81 HydrophobicContact CD1-CG2 4.44Å; I74-I81 HydrophobicContact CD1-CD1 4.37Å; I81-I83 HydrophobicContact CG2-CD1 3.91Å; I81-I83 HydrophobicContact CG2-CG1 4.3Å; I81-L93 HydrophobicContact CB-CD1 4.44Å; I81-L93 HydrophobicContact CD1-CB 4.24Å; I81-L93 HydrophobicContact CD1-CD1 4.15Å; I81-L93 HydrophobicContact CD1-CD2 3.87Å; I81-L93 HydrophobicContact CD1-CG 4.31Å; I81-L93 HydrophobicContact CG2-CD1 4.22Å; I81-L93 HydrophobicContact CG2-CD2 4.37Å; I81-V96 HydrophobicContact CD1-CG2 3.68Å; I81-V96 HydrophobicContact CG1-CG1 4.27Å; I81-V96 HydrophobicContact CG1-CG2 3.88Å; I81-S99 PolarHBondContact N-O 3.47Å; I81-V100 HydrophobicContact CB-CG2 4.45Å; I81-V100 VanDerWaalsContact O-CA 3.32Å; I81-V100 WeakPolarHBondContact O-CA 3.44Å; I81-F101 PolarHBondContact O-N 3.46Å
82	T	98.8	Very high	98.8	Very high	21 Å²	21	16.8 Å²	16.8	13%	0.129	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.8	172.3	-53.8	0	0	0	0	109	F62 L63 I64 D84 F101	F62-T82 PolarHBondContact O-N 2.89Å; L63-T82 HydrophobicContact CD1-CG2 4.35Å; I64-T82 PolarHBondContact N-O 3.06Å; T82-D84 WeakPolarHBondContact CG2-OD1 3.3Å; T82-D84 WeakPolarHBondContact CG2-OD2 3.32Å; T82-F101 WeakPolarHBondContact CA-O 3.49Å
83	I	98.9	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	111.6	179	-51.3	86.9	0	0	0	107.6	I64 I81 C86 I91 L93 V100 F101 F102 R103 C105	I64-I83 HydrophobicContact CB-CG1 4.32Å; I64-I83 HydrophobicContact CB-CG2 4.23Å; I64-I83 HydrophobicContact CD1-CG1 4.17Å; I64-I83 HydrophobicContact CG2-CG2 4.24Å; I64-I83 CarbonylContact O-C 3.51Å; I64-I83 VanDerWaalsContact O-CA 3.25Å; I64-I83 WeakPolarHBondContact O-CA 3.21Å; I81-I83 HydrophobicContact CG2-CD1 3.91Å; I81-I83 HydrophobicContact CG2-CG1 4.3Å; I83-C86 HydrophobicContact CG2-CB 4Å; I83-I91 HydrophobicContact CG2-CD1 3.95Å; I83-L93 HydrophobicContact CD1-CD1 4.25Å; I83-V100 HydrophobicContact CD1-CG1 3.62Å; I83-F101 PolarHBondContact N-O 2.95Å; I83-F102 HydrophobicContact CB-CD1 3.74Å; I83-F102 HydrophobicContact CB-CE1 3.89Å; I83-F102 HydrophobicContact CB-CG 4.31Å; I83-F102 HydrophobicContact CD1-CD1 4.26Å; I83-F102 HydrophobicContact CD1-CD2 4.13Å; I83-F102 HydrophobicContact CD1-CE1 4.01Å; I83-F102 HydrophobicContact CD1-CE2 3.85Å; I83-F102 HydrophobicContact CD1-CG 4.32Å; I83-F102 HydrophobicContact CD1-CZ 3.79Å; I83-F102 HydrophobicContact CG1-CD1 4.22Å; I83-F102 HydrophobicContact CG1-CE1 3.91Å; I83-F102 HydrophobicContact CG1-CZ 4.13Å; I83-F102 HydrophobicContact CG2-CD1 3.96Å; I83-F102 HydrophobicContact CG2-CE1 3.94Å; I83-F102 CarbonylContact O-C 3.58Å; I83-F102 WeakPolarHBondContact O-CA 3.45Å; I83-R103 PolarHBondContact O-N 3.35Å; I83-C105 PolarHBondContact O-SG 3.14Å; I83-C105 VanDerWaalsContact O-SG 3.32Å
84	D	98.8	Very high	98.8	Very high	14 Å²	14	16.6 Å²	16.6	8%	0.075	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.4	-171.1	-66.8	-36.8	0	0	0	111.6	I64 Q65 D66 T82 C86 R103	I64-D84 PolarHBondContact O-N 2.65Å; Q65-D84 CarbonylContact C-O 3.55Å; Q65-D84 VanDerWaalsContact CA-O 3.3Å; Q65-D84 WeakPolarHBondContact CA-O 3.4Å; Q65-D84 HydrophobicContact CB-CB 3.98Å; D66-D84 PolarHBondContact N-O 2.98Å; T82-D84 WeakPolarHBondContact CG2-OD1 3.3Å; T82-D84 WeakPolarHBondContact CG2-OD2 3.32Å; D84-C86 PolarHBondContact O-N 2.97Å; D84-C86 PolarHBondContact O-SG 2.94Å; D84-R103 WeakPolarHBondContact CA-O 3.39Å; D84-R103 WeakPolarHBondContact OD1-CB 3.28Å; D84-R103 IonicContact OD1-CZ 3.52Å; D84-R103 IonicContact OD1-NE 2.73Å; D84-R103 PolarHBondContact OD1-NE 2.89Å; D84-R103 IonicContact OD1-NH2 2.87Å; D84-R103 PolarHBondContact OD1-NH2 3.32Å; D84-R103 IonicContact OD2-CZ 3.93Å; D84-R103 IonicContact OD2-NH2 2.71Å; D84-R103 PolarHBondContact OD2-NH2 2.99Å
85	D	98.7	Very high	98.8	Very high	73 Å²	73	16.6 Å²	16.6	39%	0.39	10%	0.096	S	C	.	.	S	Bend	trans	55.7	21.1	167.3	-62.6	-82	0	0	0	114.8	R103 N104	D85-R103 PolarHBondContact N-O 2.93Å; D85-N104 HydrophobicContact CB-CB 4.42Å; D85-N104 WeakPolarHBondContact OD1-CB 3.45Å; D85-N104 PolarHBondContact OD1-ND2 3.31Å; D85-N104 PolarHBondContact OD2-ND2 2.84Å
86	C	98.8	Very high	98.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.			trans	-79.4	142.2	-176.6	-69.1	0	0	0	0	112.7	C67 I83 D84 C105 R106	C67-C86 CarbonylContact O-C 3.51Å; C67-C86 VanDerWaalsContact O-CA 3.28Å; C67-C86 WeakPolarHBondContact O-CA 3.44Å; I83-C86 HydrophobicContact CG2-CB 4Å; D84-C86 PolarHBondContact O-N 2.97Å; D84-C86 PolarHBondContact O-SG 2.94Å; C86-C105 CarbonylContact O-C 3.59Å; C86-C105 VanDerWaalsContact O-CA 3.3Å; C86-C105 WeakPolarHBondContact O-CA 3.21Å; C86-R106 PolarHBondContact O-N 2.85Å
87	T	98.9	Very high	98.8	Very high	19 Å²	19	22.4 Å²	22.4	12%	0.117	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-128.6	127.7	-174.8	-62.4	0	0	0	0	111.3	C67 E68 N69 C89 R106	C67-T87 PolarHBondContact O-N 2.84Å; E68-T87 CarbonylContact C-O 3.55Å; E68-T87 WeakPolarHBondContact CA-O 3.44Å; E68-T87 HydrophobicContact CG-CG2 4.21Å; N69-T87 PolarHBondContact N-O 3.06Å; T87-C89 PolarHBondContact O-N 2.98Å; T87-C89 PolarHBondContact O-SG 2.89Å; T87-C89 VanDerWaalsContact O-SG 3.34Å; T87-R106 WeakPolarHBondContact CA-O 3.17Å; T87-R106 HydrophobicContact CG2-CG 4.02Å; T87-R106 VanDerWaalsContact CG2-NE 3.34Å; T87-R106 PolarHBondContact OG1-NE 3.32Å; T87-R106 PolarHBondContact OG1-NH2 3.22Å
88	N	98.8	Very high	98.7	Very high	87 Å²	87	21.8 Å²	21.8	47%	0.465	12%	0.122	S	C	.	.	S	Bend	trans	54.6	39.5	172.4	-171	44.7	0	0	0	113	N69 R106 D107	N69-N88 WeakPolarHBondContact CA-O 3.28Å; N69-N88 PolarHBondContact OD1-ND2 3.35Å; N88-R106 PolarHBondContact N-O 2.87Å; N88-D107 WeakPolarHBondContact CA-O 3.44Å
89	C	98.9	Very high	98.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	13%	0.133	C	C	.	.			trans	-100.2	145	-177.6	-66.3	0	0	0	0	112.2	C67 C70 T87 I91 C108 K109	C67-C89 PolarHBondContact O-SG 2.81Å; C67-C89 VanDerWaalsContact O-SG 3.38Å; C70-C89 CarbonylContact O-C 3.49Å; C70-C89 WeakPolarHBondContact O-CA 3.26Å; C70-C89 WeakPolarHBondContact O-CB 3.39Å; T87-C89 PolarHBondContact O-N 2.98Å; T87-C89 PolarHBondContact O-SG 2.89Å; T87-C89 VanDerWaalsContact O-SG 3.34Å; C89-I91 HydrophobicContact CB-CD1 4.11Å; C89-I91 HydrophobicContact CB-CG1 4Å; C89-C108 PolarHBondContact N-SG 2.95Å; C89-C108 VanDerWaalsContact N-SG 3.4Å; C89-C108 CarbonylContact O-C 3.56Å; C89-C108 WeakPolarHBondContact O-CA 3.43Å; C89-C108 WeakPolarHBondContact O-CB 3.32Å; C89-K109 PolarHBondContact O-N 3.07Å
90	I	98.9	Very high	98.8	Very high	33 Å²	33	21.4 Å²	21.4	17%	0.169	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.7	169.3	-59.4	-172.7	0	0	0	107.6	C70 N71 I72 K109 V199 P200	C70-I90 PolarHBondContact O-N 2.9Å; N71-I90 CarbonylContact C-O 3.6Å; N71-I90 WeakPolarHBondContact CA-O 3.49Å; N71-I90 HydrophobicContact CB-CB 4.41Å; N71-I90 WeakPolarHBondContact OD1-CB 3.33Å; N71-I90 WeakPolarHBondContact OD1-CD1 3.21Å; N71-I90 WeakPolarHBondContact OD1-CG1 3.37Å; I72-I90 PolarHBondContact N-O 2.89Å; I90-K109 CarbonylContact C-O 3.49Å; I90-K109 VanDerWaalsContact CA-O 3.31Å; I90-K109 WeakPolarHBondContact CA-O 3.42Å; I90-V199 HydrophobicContact CG2-CB 4.25Å; I90-V199 HydrophobicContact CG2-CG1 3.87Å; I90-V199 HydrophobicContact CG2-CG2 4.4Å; I90-P200 HydrophobicContact CD1-CG 3.97Å
91	I	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	114.5	-169.7	-49.2	-177.9	0	0	0	111.8	I64 I72 I83 C89 L93 F102 K109 C110 T111	I64-I91 HydrophobicContact CD1-CG2 4.21Å; I72-I91 HydrophobicContact CB-CG2 4.48Å; I72-I91 CarbonylContact O-C 3.42Å; I72-I91 WeakPolarHBondContact O-CA 3.4Å; I83-I91 HydrophobicContact CG2-CD1 3.95Å; C89-I91 HydrophobicContact CB-CD1 4.11Å; C89-I91 HydrophobicContact CB-CG1 4Å; I91-L93 HydrophobicContact CG2-CD1 4.49Å; I91-L93 HydrophobicContact CG2-CD2 3.54Å; I91-L93 HydrophobicContact CG2-CG 3.85Å; I91-F102 HydrophobicContact CD1-CE1 4.27Å; I91-K109 PolarHBondContact N-O 2.84Å; I91-C110 CarbonylContact O-C 3.59Å; I91-C110 WeakPolarHBondContact O-CA 3.47Å; I91-T111 PolarHBondContact O-N 3.15Å
92	F	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.5	162.5	178.1	-88.5	0	0	0	110.1	I72 Y73 I74 F75 T111 F148 W150 Y152	I72-F92 PolarHBondContact O-N 2.96Å; Y73-F92 HydrophobicContact CD1-CB 3.66Å; Y73-F92 HydrophobicContact CE1-CB 4.37Å; Y73-F92 HydrophobicContact CG-CB 4.46Å; I74-F92 PolarHBondContact N-O 3.28Å; I74-F92 WeakPolarHBondContact O-CE1 3.48Å; F75-F92 AromaticContact CD1-CD1 3.49Å; F75-F92 HydrophobicContact CD1-CD1 3.49Å; F75-F92 VanDerWaalsContact CD1-CD1 3.49Å; F75-F92 AromaticContact CD1-CE1 3.51Å; F75-F92 HydrophobicContact CD1-CE1 3.51Å; F75-F92 HydrophobicContact CD1-CG 4.4Å; F75-F92 HydrophobicContact CD1-CZ 4.41Å; F75-F92 AromaticContact CE1-CD1 3.53Å; F75-F92 HydrophobicContact CE1-CD1 3.53Å; F75-F92 AromaticContact CE1-CE1 3.9Å; F75-F92 HydrophobicContact CE1-CE1 3.9Å; F75-F92 HydrophobicContact CE1-CG 4.01Å; F75-F92 HydrophobicContact CG-CD1 4.47Å; F92-T111 WeakPolarHBondContact CA-O 3.45Å; F92-T111 HydrophobicContact CD2-CG2 4.05Å; F92-T111 HydrophobicContact CE2-CG2 4.08Å; F92-F148 HydrophobicContact CE2-CE2 4.24Å; F92-F148 HydrophobicContact CE2-CZ 4.17Å; F92-F148 HydrophobicContact CZ-CZ 4.47Å; F92-W150 HydrophobicContact CB-CZ2 4.45Å; F92-W150 AromaticContact CD2-CD2 3.63Å; F92-W150 HydrophobicContact CD2-CD2 3.63Å; F92-W150 AromaticContact CD2-CE2 3.43Å; F92-W150 VanDerWaalsContact CD2-CE2 3.43Å; F92-W150 HydrophobicContact CD2-CE3 4.09Å; F92-W150 HydrophobicContact CD2-CG 4.03Å; F92-W150 HydrophobicContact CD2-CH2 4.22Å; F92-W150 AromaticContact CD2-CZ2 3.74Å; F92-W150 HydrophobicContact CD2-CZ2 3.74Å; F92-W150 HydrophobicContact CD2-CZ3 4.37Å; F92-W150 AromaticContact CD2-NE1 3.72Å; F92-W150 HydrophobicContact CE2-CB 4.08Å; F92-W150 AromaticContact CE2-CD1 3.38Å; F92-W150 AromaticContact CE2-CD2 3.59Å; F92-W150 HydrophobicContact CE2-CD2 3.59Å; F92-W150 AromaticContact CE2-CE2 3.61Å; F92-W150 HydrophobicContact CE2-CE3 4.37Å; F92-W150 AromaticContact CE2-CG 3.45Å; F92-W150 HydrophobicContact CE2-CG 3.45Å; F92-W150 VanDerWaalsContact CE2-CG 3.45Å; F92-W150 HydrophobicContact CE2-CZ2 4.37Å; F92-W150 AromaticContact CE2-NE1 3.46Å; F92-W150 HydrophobicContact CG-CZ2 4.13Å; F92-W150 AromaticContact CZ-CD1 3.8Å; F92-W150 HydrophobicContact CZ-CG 4.27Å; F92-W150 AromaticContact CZ-NE1 3.89Å; F92-Y152 AromaticContact CE1-CE1 3.81Å; F92-Y152 HydrophobicContact CE1-CE1 3.81Å; F92-Y152 AromaticContact CZ-CE1 3.66Å; F92-Y152 HydrophobicContact CZ-CE1 3.66Å
93	L	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.7	171.2	-49	175.3	0	0	0	110.2	I64 I74 I81 I83 I91 V100 T111 L112	I64-L93 HydrophobicContact CD1-CD2 4.11Å; I74-L93 HydrophobicContact CB-CD2 4.41Å; I74-L93 HydrophobicContact CD1-CD2 3.98Å; I74-L93 HydrophobicContact CG1-CD2 4.38Å; I81-L93 HydrophobicContact CB-CD1 4.44Å; I81-L93 HydrophobicContact CD1-CB 4.24Å; I81-L93 HydrophobicContact CD1-CD1 4.15Å; I81-L93 HydrophobicContact CD1-CD2 3.87Å; I81-L93 HydrophobicContact CD1-CG 4.31Å; I81-L93 HydrophobicContact CG2-CD1 4.22Å; I81-L93 HydrophobicContact CG2-CD2 4.37Å; I83-L93 HydrophobicContact CD1-CD1 4.25Å; I91-L93 HydrophobicContact CG2-CD1 4.49Å; I91-L93 HydrophobicContact CG2-CD2 3.54Å; I91-L93 HydrophobicContact CG2-CG 3.85Å; L93-V100 HydrophobicContact CD1-CG1 3.92Å; L93-V100 HydrophobicContact CD1-CG2 4.17Å; L93-T111 PolarHBondContact N-O 3.21Å; L93-L112 HydrophobicContact CB-CB 3.76Å; L93-L112 HydrophobicContact CD1-CB 4.05Å; L93-L112 HydrophobicContact CD1-CD2 4.13Å; L93-L112 HydrophobicContact CG-CB 4.13Å; L93-L112 WeakPolarHBondContact O-CA 3.32Å
94	G	98.8	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	179.2	166.6	0	0	0	0	0	112.6	I74 D76 V96	I74-G94 PolarHBondContact O-N 2.85Å; D76-G94 WeakPolarHBondContact O-CA 3.33Å; G94-V96 WeakPolarHBondContact O-CG2 3.43Å; G94-V96 PolarHBondContact O-N 3.25Å
95	P	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	117.1	-171.9	-28.7	40.2	0	0	0	113.7	H77 S78 L155 Q158 F159 A162 L164	H77-P95 CarbonylContact C-O 3.59Å; H77-P95 WeakPolarHBondContact CA-O 3.34Å; H77-P95 HydrophobicContact CB-CB 4.48Å; H77-P95 WeakPolarHBondContact CB-O 3.29Å; S78-P95 PolarHBondContact N-O 2.85Å; P95-L155 HydrophobicContact CG-CD1 3.76Å; P95-Q158 HydrophobicContact CG-CB 3.99Å; P95-F159 HydrophobicContact CB-CD2 4.31Å; P95-F159 HydrophobicContact CB-CG 4.28Å; P95-F159 HydrophobicContact CG-CB 4.33Å; P95-F159 HydrophobicContact CG-CD1 4.47Å; P95-F159 HydrophobicContact CG-CD2 3.39Å; P95-F159 HydrophobicContact CG-CE2 3.72Å; P95-F159 HydrophobicContact CG-CG 3.81Å; P95-F159 HydrophobicContact CG-CZ 4.4Å; P95-A162 HydrophobicContact CB-CB 3.66Å; P95-L164 HydrophobicContact CB-CD1 4.19Å
96	V	98.9	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.1	-179.2	-172.7	0	0	0	0	110.5	S78 I81 G94 G98 S99 V100 A113 C114 Q115	S78-V96 CarbonylContact O-C 3.52Å; S78-V96 WeakPolarHBondContact O-CA 3.38Å; I81-V96 HydrophobicContact CD1-CG2 3.68Å; I81-V96 HydrophobicContact CG1-CG1 4.27Å; I81-V96 HydrophobicContact CG1-CG2 3.88Å; G94-V96 WeakPolarHBondContact O-CG2 3.43Å; G94-V96 PolarHBondContact O-N 3.25Å; V96-G98 VanDerWaalsContact C-N 3.26Å; V96-G98 PolarHBondContact O-N 3.25Å; V96-S99 WeakPolarHBondContact CG1-O 3.3Å; V96-V100 HydrophobicContact CB-CG2 3.76Å; V96-V100 HydrophobicContact CG1-CG2 3.9Å; V96-V100 HydrophobicContact CG2-CG2 3.56Å; V96-A113 PolarHBondContact N-O 3.19Å; V96-C114 HydrophobicContact CB-CB 4.04Å; V96-C114 CarbonylContact O-C 3.58Å; V96-C114 VanDerWaalsContact O-CA 3.26Å; V96-C114 WeakPolarHBondContact O-CA 3.19Å; V96-Q115 PolarHBondContact O-N 2.88Å; V96-Q115 VanDerWaalsContact O-N 3.15Å
97	K	98.7	Very high	98.8	Very high	124 Å²	124	33.4 Å²	33.4	54%	0.539	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	-36.4	-175.4	174	161.7	-174.9	167	0	114.3	S78 Q115 A162	S78-K97 PolarHBondContact O-N 3.2Å; K97-Q115 WeakPolarHBondContact O-CB 3.42Å; K97-A162 WeakPolarHBondContact CA-O 3.36Å; K97-A162 HydrophobicContact CB-CB 4.28Å; K97-A162 WeakPolarHBondContact CB-O 3.36Å; K97-A162 VanDerWaalsContact CG-O 3.23Å; K97-A162 WeakPolarHBondContact CG-O 3.48Å
98	G	98.2	Very high	98.8	Very high	17 Å²	17	32.6 Å²	32.6	18%	0.175	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-123.8	178.9	0	0	0	0	0	111.9	A79 V96 Q115 Q116	A79-G98 WeakPolarHBondContact O-CA 3.38Å; A79-G98 PolarHBondContact O-N 3.16Å; V96-G98 VanDerWaalsContact C-N 3.26Å; V96-G98 PolarHBondContact O-N 3.25Å; G98-Q115 WeakPolarHBondContact O-CB 3.46Å; G98-Q115 PolarHBondContact O-N 3.48Å; G98-Q115 VanDerWaalsContact O-N 3.09Å; G98-Q116 PolarHBondContact O-N 2.9Å; G98-Q116 VanDerWaalsContact O-N 3.11Å
99	S	98.3	Very high	98.8	Very high	33 Å²	33	31.5 Å²	31.5	23%	0.231	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.3	-175.3	46.6	0	0	0	0	114.1	T80 I81 V96 Q116	T80-S99 WeakPolarHBondContact CA-O 3.3Å; T80-S99 PolarHBondContact OG1-O 3.02Å; T80-S99 PolarHBondContact OG1-OG 3.19Å; I81-S99 PolarHBondContact N-O 3.47Å; V96-S99 WeakPolarHBondContact CG1-O 3.3Å; S99-Q116 CarbonylContact C-O 3.54Å; S99-Q116 VanDerWaalsContact CA-O 3.29Å; S99-Q116 WeakPolarHBondContact CA-O 3.38Å
100	V	98.9	Very high	98.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.1	152.8	175.7	0	0	0	0	108.1	I81 I83 L93 V96 F102 L112 C114 Q116 R118	I81-V100 HydrophobicContact CB-CG2 4.45Å; I81-V100 VanDerWaalsContact O-CA 3.32Å; I81-V100 WeakPolarHBondContact O-CA 3.44Å; I83-V100 HydrophobicContact CD1-CG1 3.62Å; L93-V100 HydrophobicContact CD1-CG1 3.92Å; L93-V100 HydrophobicContact CD1-CG2 4.17Å; V96-V100 HydrophobicContact CB-CG2 3.76Å; V96-V100 HydrophobicContact CG1-CG2 3.9Å; V96-V100 HydrophobicContact CG2-CG2 3.56Å; V100-F102 HydrophobicContact CG1-CD2 4.05Å; V100-F102 HydrophobicContact CG1-CE2 3.58Å; V100-F102 HydrophobicContact CG1-CZ 4.47Å; V100-L112 HydrophobicContact CB-CD1 4.28Å; V100-L112 HydrophobicContact CG1-CD1 4.28Å; V100-L112 HydrophobicContact CG1-CD2 4.34Å; V100-L112 HydrophobicContact CG2-CD1 4.24Å; V100-C114 HydrophobicContact CB-CB 4.22Å; V100-C114 HydrophobicContact CG2-CB 3.66Å; V100-Q116 PolarHBondContact N-O 3.2Å; V100-R118 PolarHBondContact O-N 2.83Å
101	F	98.9	Very high	98.8	Very high	48 Å²	48	29.9 Å²	29.9	21%	0.211	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	112.3	-177.3	-163.8	178.8	0	0	0	111.5	I81 T82 I83 R103 R118 R120	I81-F101 PolarHBondContact O-N 3.46Å; T82-F101 WeakPolarHBondContact CA-O 3.49Å; I83-F101 PolarHBondContact N-O 2.95Å; F101-R103 HydrophobicContact CD1-CG 4.4Å; F101-R103 HydrophobicContact CD2-CG 3.78Å; F101-R103 HydrophobicContact CE1-CG 4.27Å; F101-R103 HydrophobicContact CE2-CG 3.62Å; F101-R103 HydrophobicContact CG-CG 4.18Å; F101-R103 HydrophobicContact CZ-CG 3.9Å; F101-R118 WeakPolarHBondContact CA-O 3.33Å; F101-R118 HydrophobicContact CB-CB 4.36Å; F101-R118 HydrophobicContact CD2-CB 3.57Å; F101-R118 HydrophobicContact CE2-CB 3.98Å; F101-R118 HydrophobicContact CG-CB 3.99Å; F101-R120 HydrophobicContact CE2-CB 3.85Å; F101-R120 HydrophobicContact CZ-CB 4.26Å
102	F	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.6	169	-70.4	-96.7	0	0	0	110.6	I83 I91 V100 C105 C110 L112 F117 R118 V119 R120 L125	I83-F102 HydrophobicContact CB-CD1 3.74Å; I83-F102 HydrophobicContact CB-CE1 3.89Å; I83-F102 HydrophobicContact CB-CG 4.31Å; I83-F102 HydrophobicContact CD1-CD1 4.26Å; I83-F102 HydrophobicContact CD1-CD2 4.13Å; I83-F102 HydrophobicContact CD1-CE1 4.01Å; I83-F102 HydrophobicContact CD1-CE2 3.85Å; I83-F102 HydrophobicContact CD1-CG 4.32Å; I83-F102 HydrophobicContact CD1-CZ 3.79Å; I83-F102 HydrophobicContact CG1-CD1 4.22Å; I83-F102 HydrophobicContact CG1-CE1 3.91Å; I83-F102 HydrophobicContact CG1-CZ 4.13Å; I83-F102 HydrophobicContact CG2-CD1 3.96Å; I83-F102 HydrophobicContact CG2-CE1 3.94Å; I83-F102 CarbonylContact O-C 3.58Å; I83-F102 WeakPolarHBondContact O-CA 3.45Å; I91-F102 HydrophobicContact CD1-CE1 4.27Å; V100-F102 HydrophobicContact CG1-CD2 4.05Å; V100-F102 HydrophobicContact CG1-CE2 3.58Å; V100-F102 HydrophobicContact CG1-CZ 4.47Å; F102-C105 HydrophobicContact CD1-CB 4.16Å; F102-C110 HydrophobicContact CZ-CB 4.38Å; F102-L112 HydrophobicContact CE2-CD2 3.79Å; F102-L112 HydrophobicContact CZ-CD2 3.96Å; F102-F117 AromaticContact CD2-CE2 3.91Å; F102-F117 HydrophobicContact CD2-CE2 3.91Å; F102-F117 HydrophobicContact CD2-CZ 4.14Å; F102-F117 AromaticContact CE2-CE2 3.74Å; F102-F117 HydrophobicContact CE2-CE2 3.74Å; F102-F117 HydrophobicContact CE2-CZ 4.25Å; F102-R118 PolarHBondContact N-O 3.01Å; F102-V119 HydrophobicContact CB-CG1 4.36Å; F102-V119 HydrophobicContact CB-CG2 4.42Å; F102-V119 WeakPolarHBondContact O-CA 3.38Å; F102-R120 PolarHBondContact O-N 2.78Å; F102-L125 HydrophobicContact CB-CD1 4.12Å; F102-L125 HydrophobicContact CD1-CD1 4.18Å; F102-L125 HydrophobicContact CG-CD1 4.12Å
103	R	98.8	Very high	98.8	Very high	81 Å²	81	29.9 Å²	29.9	31%	0.306	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.2	174.8	-56.6	-177.5	-64.9	-179.9	5.5	109.9	I83 D84 D85 F101 C105 R120	I83-R103 PolarHBondContact O-N 3.35Å; D84-R103 WeakPolarHBondContact CA-O 3.39Å; D84-R103 WeakPolarHBondContact OD1-CB 3.28Å; D84-R103 IonicContact OD1-CZ 3.52Å; D84-R103 IonicContact OD1-NE 2.73Å; D84-R103 PolarHBondContact OD1-NE 2.89Å; D84-R103 IonicContact OD1-NH2 2.87Å; D84-R103 PolarHBondContact OD1-NH2 3.32Å; D84-R103 IonicContact OD2-CZ 3.93Å; D84-R103 IonicContact OD2-NH2 2.71Å; D84-R103 PolarHBondContact OD2-NH2 2.99Å; D85-R103 PolarHBondContact N-O 2.93Å; F101-R103 HydrophobicContact CD1-CG 4.4Å; F101-R103 HydrophobicContact CD2-CG 3.78Å; F101-R103 HydrophobicContact CE1-CG 4.27Å; F101-R103 HydrophobicContact CE2-CG 3.62Å; F101-R103 HydrophobicContact CG-CG 4.18Å; F101-R103 HydrophobicContact CZ-CG 3.9Å; R103-C105 PolarHBondContact O-N 3.08Å; R103-C105 PolarHBondContact O-SG 2.96Å; R103-R120 WeakPolarHBondContact CA-O 3.35Å
104	N	98.7	Very high	98.8	Very high	71 Å²	71	29.9 Å²	29.9	38%	0.38	14%	0.14	S	C	.	.	S	Bend	trans	54.9	16.4	178.5	-56.4	-20.1	0	0	0	115.8	D85 R120 D121	D85-N104 HydrophobicContact CB-CB 4.42Å; D85-N104 WeakPolarHBondContact OD1-CB 3.45Å; D85-N104 PolarHBondContact OD1-ND2 3.31Å; D85-N104 PolarHBondContact OD2-ND2 2.84Å; N104-R120 PolarHBondContact N-O 2.96Å; N104-D121 WeakPolarHBondContact CA-O 3.25Å; N104-D121 WeakPolarHBondContact OD1-CB 3.4Å
105	C	98.9	Very high	98.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	16%	0.159	C	C	.	.			trans	-84.5	144.5	-173.9	-68.1	0	0	0	0	112.3	I83 C86 F102 R103 C122 R123 L125	I83-C105 PolarHBondContact O-SG 3.14Å; I83-C105 VanDerWaalsContact O-SG 3.32Å; C86-C105 CarbonylContact O-C 3.59Å; C86-C105 VanDerWaalsContact O-CA 3.3Å; C86-C105 WeakPolarHBondContact O-CA 3.21Å; F102-C105 HydrophobicContact CD1-CB 4.16Å; R103-C105 PolarHBondContact O-N 3.08Å; R103-C105 PolarHBondContact O-SG 2.96Å; C105-C122 PolarHBondContact N-SG 2.9Å; C105-C122 CarbonylContact O-C 3.56Å; C105-C122 WeakPolarHBondContact O-CA 3.26Å; C105-C122 VanDerWaalsContact O-CB 3.26Å; C105-C122 WeakPolarHBondContact O-CB 3.3Å; C105-R123 PolarHBondContact O-N 2.82Å; C105-L125 HydrophobicContact CB-CD2 4.12Å
106	R	98.8	Very high	98.8	Very high	126 Å²	126	36.8 Å²	36.8	48%	0.475	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-137.8	142.3	-178.6	64.1	-175.2	174.7	176.2	1.9	114.3	C86 T87 N88 C108 R123	C86-R106 PolarHBondContact O-N 2.85Å; T87-R106 WeakPolarHBondContact CA-O 3.17Å; T87-R106 HydrophobicContact CG2-CG 4.02Å; T87-R106 VanDerWaalsContact CG2-NE 3.34Å; T87-R106 PolarHBondContact OG1-NE 3.32Å; T87-R106 PolarHBondContact OG1-NH2 3.22Å; N88-R106 PolarHBondContact N-O 2.87Å; R106-C108 PolarHBondContact O-N 2.98Å; R106-C108 VanDerWaalsContact O-N 3.15Å; R106-C108 PolarHBondContact O-SG 2.88Å; R106-R123 CarbonylContact C-O 3.54Å; R106-R123 VanDerWaalsContact CA-O 3.25Å; R106-R123 WeakPolarHBondContact CA-O 3.38Å
107	D	98.8	Very high	98.8	Very high	61 Å²	61	36.9 Å²	36.9	33%	0.326	17%	0.173	S	C	.	.	S	Bend	trans	55.1	30.8	174.3	-64.1	-99.8	0	0	0	113.3	N88 R123 K124	N88-D107 WeakPolarHBondContact CA-O 3.44Å; D107-R123 PolarHBondContact N-O 2.91Å; D107-K124 CarbonylContact C-O 3.46Å; D107-K124 WeakPolarHBondContact CA-O 3.34Å; D107-K124 PolarHBondContact N-O 3.16Å; D107-K124 WeakPolarHBondContact OD1-CD 3.49Å; D107-K124 WeakPolarHBondContact OD1-CE 3.37Å; D107-K124 IonicContact OD1-NZ 3.56Å; D107-K124 PolarHBondContact OD1-NZ 2.83Å; D107-K124 IonicContact OD2-NZ 3.46Å
108	C	98.9	Very high	98.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	16%	0.162	C	C	.	.			trans	-98.8	143.6	-176.6	-61.1	0	0	0	0	112.7	C89 R106 K124 L125 E126	C89-C108 PolarHBondContact N-SG 2.95Å; C89-C108 VanDerWaalsContact N-SG 3.4Å; C89-C108 CarbonylContact O-C 3.56Å; C89-C108 WeakPolarHBondContact O-CA 3.43Å; C89-C108 WeakPolarHBondContact O-CB 3.32Å; R106-C108 PolarHBondContact O-N 2.98Å; R106-C108 VanDerWaalsContact O-N 3.15Å; R106-C108 PolarHBondContact O-SG 2.88Å; C108-K124 PolarHBondContact N-O 3.19Å; C108-L125 HydrophobicContact CB-CD2 3.82Å; C108-L125 WeakPolarHBondContact O-CA 3.2Å; C108-E126 PolarHBondContact O-N 3.15Å
109	K	98.9	Very high	98.8	Very high	64 Å²	64	34.4 Å²	34.4	28%	0.278	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.3	-179.2	-56.6	-166.6	-179.1	-170.9	0	110.4	C89 I90 I91 E126 D197 Y198 V199	C89-K109 PolarHBondContact O-N 3.07Å; I90-K109 CarbonylContact C-O 3.49Å; I90-K109 VanDerWaalsContact CA-O 3.31Å; I90-K109 WeakPolarHBondContact CA-O 3.42Å; I91-K109 PolarHBondContact N-O 2.84Å; K109-E126 CarbonylContact C-O 3.53Å; K109-E126 WeakPolarHBondContact CA-O 3.41Å; K109-E126 VanDerWaalsContact CE-OE2 3.3Å; K109-E126 WeakPolarHBondContact CE-OE2 3.09Å; K109-E126 HydrophobicContact CG-CB 4.41Å; K109-E126 IonicContact NZ-OE2 3.55Å; K109-D197 PolarHBondContact NZ-O 3.26Å; K109-Y198 VanDerWaalsContact CB-O 3.25Å; K109-Y198 WeakPolarHBondContact CB-O 3.47Å; K109-Y198 HydrophobicContact CD-CD1 3.97Å; K109-Y198 HydrophobicContact CD-CG 4.32Å; K109-Y198 VanDerWaalsContact CD-O 3.26Å; K109-Y198 WeakPolarHBondContact CD-O 3.28Å; K109-V199 HydrophobicContact CB-CG2 4.45Å
110	C	98.9	Very high	98.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.3	-164.7	-50.6	0	0	0	0	113.8	I91 F102 L112 E126 V127 F128	I91-C110 CarbonylContact O-C 3.59Å; I91-C110 WeakPolarHBondContact O-CA 3.47Å; F102-C110 HydrophobicContact CZ-CB 4.38Å; C110-L112 HydrophobicContact CB-CD2 3.97Å; C110-E126 PolarHBondContact N-O 2.77Å; C110-V127 HydrophobicContact CB-CG1 4.19Å; C110-V127 HydrophobicContact CB-CG2 4.23Å; C110-V127 CarbonylContact O-C 3.57Å; C110-V127 WeakPolarHBondContact O-CA 3.48Å; C110-F128 PolarHBondContact O-N 2.89Å
111	T	98.9	Very high	98.8	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	120.6	164.9	-63.1	0	0	0	0	108.4	I91 F92 L93 F128 F148 W150 V199	I91-T111 PolarHBondContact O-N 3.15Å; F92-T111 WeakPolarHBondContact CA-O 3.45Å; F92-T111 HydrophobicContact CD2-CG2 4.05Å; F92-T111 HydrophobicContact CE2-CG2 4.08Å; L93-T111 PolarHBondContact N-O 3.21Å; T111-F128 WeakPolarHBondContact CA-O 3.19Å; T111-F128 HydrophobicContact CG2-CB 4.12Å; T111-F148 HydrophobicContact CG2-CD2 3.77Å; T111-F148 HydrophobicContact CG2-CE2 3.71Å; T111-F148 HydrophobicContact CG2-CG 4.49Å; T111-F148 HydrophobicContact CG2-CZ 4.39Å; T111-W150 HydrophobicContact CG2-CB 4.24Å; T111-W150 HydrophobicContact CG2-CD2 4.3Å; T111-W150 HydrophobicContact CG2-CE3 3.83Å; T111-V199 WeakPolarHBondContact OG1-CG2 3.26Å
112	L	98.9	Very high	98.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.1	-172.8	62.7	99.9	0	0	0	114.6	L93 V100 F102 C110 C114 F117 V127 F128 L129 C130 F148	L93-L112 HydrophobicContact CB-CB 3.76Å; L93-L112 HydrophobicContact CD1-CB 4.05Å; L93-L112 HydrophobicContact CD1-CD2 4.13Å; L93-L112 HydrophobicContact CG-CB 4.13Å; L93-L112 WeakPolarHBondContact O-CA 3.32Å; V100-L112 HydrophobicContact CB-CD1 4.28Å; V100-L112 HydrophobicContact CG1-CD1 4.28Å; V100-L112 HydrophobicContact CG1-CD2 4.34Å; V100-L112 HydrophobicContact CG2-CD1 4.24Å; F102-L112 HydrophobicContact CE2-CD2 3.79Å; F102-L112 HydrophobicContact CZ-CD2 3.96Å; C110-L112 HydrophobicContact CB-CD2 3.97Å; L112-C114 HydrophobicContact CD1-CB 4.45Å; L112-F117 HydrophobicContact CD1-CD2 3.81Å; L112-F117 HydrophobicContact CD1-CE2 4Å; L112-F117 HydrophobicContact CD2-CE2 4.08Å; L112-V127 HydrophobicContact CD2-CG1 3.93Å; L112-V127 HydrophobicContact CG-CG1 4.18Å; L112-F128 PolarHBondContact N-O 3.34Å; L112-L129 HydrophobicContact CD1-CD1 3.46Å; L112-L129 VanDerWaalsContact CD1-CD1 3.46Å; L112-L129 HydrophobicContact CG-CD1 4.22Å; L112-C130 PolarHBondContact O-N 3.01Å; L112-F148 WeakPolarHBondContact O-CD2 3.38Å
113	A	98.9	Very high	98.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.7	173.2	0	0	0	0	0	110.7	V96 C130 F148 F159 L164	V96-A113 PolarHBondContact N-O 3.19Å; A113-C130 CarbonylContact C-O 3.59Å; A113-C130 WeakPolarHBondContact CA-O 3.48Å; A113-C130 HydrophobicContact CB-CB 3.8Å; A113-F148 HydrophobicContact CB-CD2 4.3Å; A113-F148 HydrophobicContact CB-CE2 4.11Å; A113-F159 HydrophobicContact CB-CE1 3.84Å; A113-F159 HydrophobicContact CB-CE2 4.18Å; A113-F159 HydrophobicContact CB-CZ 3.4Å; A113-F159 VanDerWaalsContact CB-CZ 3.4Å; A113-L164 HydrophobicContact CB-CD1 4.49Å
114	C	98.9	Very high	98.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	165.8	-178.1	62.9	0	0	0	0	113.1	V96 V100 L112 C130 C131 A132	V96-C114 HydrophobicContact CB-CB 4.04Å; V96-C114 CarbonylContact O-C 3.58Å; V96-C114 VanDerWaalsContact O-CA 3.26Å; V96-C114 WeakPolarHBondContact O-CA 3.19Å; V100-C114 HydrophobicContact CB-CB 4.22Å; V100-C114 HydrophobicContact CG2-CB 3.66Å; L112-C114 HydrophobicContact CD1-CB 4.45Å; C114-C130 PolarHBondContact N-O 3.21Å; C114-C131 WeakPolarHBondContact O-CA 3.25Å; C114-A132 PolarHBondContact O-N 2.86Å
115	Q	98.5	Very high	98.8	Very high	84 Å²	84	41.9 Å²	41.9	39%	0.393	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-48.5	167.5	-173.1	-173.2	47.5	0	0	110.8	V96 K97 G98 A132 T133 L164	V96-Q115 PolarHBondContact O-N 2.88Å; V96-Q115 VanDerWaalsContact O-N 3.15Å; K97-Q115 WeakPolarHBondContact O-CB 3.42Å; G98-Q115 WeakPolarHBondContact O-CB 3.46Å; G98-Q115 PolarHBondContact O-N 3.48Å; G98-Q115 VanDerWaalsContact O-N 3.09Å; Q115-A132 HydrophobicContact CG-CB 4.3Å; Q115-A132 PolarHBondContact O-N 3.34Å; Q115-T133 PolarHBondContact O-N 3.38Å; Q115-T133 PolarHBondContact O-OG1 2.83Å; Q115-L164 HydrophobicContact CB-CD2 3.95Å
116	Q	98.6	Very high	98.8	Very high	61 Å²	61	43.3 Å²	43.3	29%	0.285	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.9	-178.5	-57.6	-177.5	9.2	0	0	111.2	G98 S99 V100 T133	G98-Q116 PolarHBondContact O-N 2.9Å; G98-Q116 VanDerWaalsContact O-N 3.11Å; S99-Q116 CarbonylContact C-O 3.54Å; S99-Q116 VanDerWaalsContact CA-O 3.29Å; S99-Q116 WeakPolarHBondContact CA-O 3.38Å; V100-Q116 PolarHBondContact N-O 3.2Å; Q116-T133 HydrophobicContact CG-CG2 4.35Å
117	F	98.9	Very high	98.8	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.3	175.1	-174	-101.6	0	0	0	111	F102 L112 V119 V127 L129 C131 P135 I136 F145	F102-F117 AromaticContact CD2-CE2 3.91Å; F102-F117 HydrophobicContact CD2-CE2 3.91Å; F102-F117 HydrophobicContact CD2-CZ 4.14Å; F102-F117 AromaticContact CE2-CE2 3.74Å; F102-F117 HydrophobicContact CE2-CE2 3.74Å; F102-F117 HydrophobicContact CE2-CZ 4.25Å; L112-F117 HydrophobicContact CD1-CD2 3.81Å; L112-F117 HydrophobicContact CD1-CE2 4Å; L112-F117 HydrophobicContact CD2-CE2 4.08Å; F117-V119 HydrophobicContact CD1-CG2 4.07Å; F117-V119 HydrophobicContact CE1-CG2 3.21Å; F117-V119 HydrophobicContact CZ-CG2 3.51Å; F117-V127 HydrophobicContact CE2-CG1 4.21Å; F117-V127 HydrophobicContact CZ-CG1 4.21Å; F117-V127 HydrophobicContact CZ-CG2 4.2Å; F117-L129 HydrophobicContact CB-CD1 4.24Å; F117-L129 HydrophobicContact CB-CD2 4.19Å; F117-L129 HydrophobicContact CD1-CD2 4.08Å; F117-L129 HydrophobicContact CD2-CD1 3.77Å; F117-L129 HydrophobicContact CD2-CD2 4.41Å; F117-L129 HydrophobicContact CE2-CD1 4.32Å; F117-L129 HydrophobicContact CG-CD1 4.05Å; F117-L129 HydrophobicContact CG-CD2 3.97Å; F117-C131 HydrophobicContact CB-CB 4.46Å; F117-C131 PolarHBondContact N-SG 2.92Å; F117-C131 VanDerWaalsContact N-SG 3.41Å; F117-P135 HydrophobicContact CB-CB 4.13Å; F117-P135 HydrophobicContact CD1-CB 3.94Å; F117-P135 HydrophobicContact CG-CB 4.45Å; F117-I136 PolarHBondContact O-N 2.99Å; F117-F145 AromaticContact CD1-CE1 3.93Å; F117-F145 HydrophobicContact CD1-CE1 3.93Å; F117-F145 HydrophobicContact CD1-CZ 4.41Å; F117-F145 AromaticContact CE1-CE1 3.48Å; F117-F145 HydrophobicContact CE1-CE1 3.48Å; F117-F145 VanDerWaalsContact CE1-CE1 3.48Å; F117-F145 AromaticContact CE1-CZ 3.87Å; F117-F145 HydrophobicContact CE1-CZ 3.87Å; F117-F145 HydrophobicContact CZ-CE1 4.26Å
118	R	98.9	Very high	98.8	Very high	87 Å²	87	34.8 Å²	34.8	33%	0.328	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.8	-178.9	-61.7	178.5	-176.1	-85.5	-3.8	110.7	V100 F101 F102 I136	V100-R118 PolarHBondContact O-N 2.83Å; F101-R118 WeakPolarHBondContact CA-O 3.33Å; F101-R118 HydrophobicContact CB-CB 4.36Å; F101-R118 HydrophobicContact CD2-CB 3.57Å; F101-R118 HydrophobicContact CE2-CB 3.98Å; F101-R118 HydrophobicContact CG-CB 3.99Å; F102-R118 PolarHBondContact N-O 3.01Å; R118-I136 WeakPolarHBondContact CA-O 3.36Å
119	V	98.9	Very high	98.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.2	174.7	-174.6	0	0	0	0	108.8	F102 F117 C122 L125 I136 I137 E138 I143	F102-V119 HydrophobicContact CB-CG1 4.36Å; F102-V119 HydrophobicContact CB-CG2 4.42Å; F102-V119 WeakPolarHBondContact O-CA 3.38Å; F117-V119 HydrophobicContact CD1-CG2 4.07Å; F117-V119 HydrophobicContact CE1-CG2 3.21Å; F117-V119 HydrophobicContact CZ-CG2 3.51Å; V119-C122 HydrophobicContact CG1-CB 3.41Å; V119-C122 VanDerWaalsContact CG1-CB 3.41Å; V119-L125 HydrophobicContact CG1-CD1 3.77Å; V119-L125 HydrophobicContact CG2-CD1 4.35Å; V119-I136 PolarHBondContact N-O 2.9Å; V119-I137 HydrophobicContact CB-CB 4.35Å; V119-I137 HydrophobicContact CB-CG2 4.04Å; V119-I137 HydrophobicContact CG2-CG2 4.23Å; V119-I137 CarbonylContact O-C 3.55Å; V119-I137 WeakPolarHBondContact O-CA 3.32Å; V119-E138 PolarHBondContact O-N 2.96Å; V119-I143 HydrophobicContact CG1-CD1 4.37Å
120	R	98.7	Very high	98.8	Very high	86 Å²	86	31.9 Å²	31.9	33%	0.325	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.6	172	-157.1	-172.9	71.6	-156.4	-4	111.9	F101 F102 R103 N104 C122 E138	F101-R120 HydrophobicContact CE2-CB 3.85Å; F101-R120 HydrophobicContact CZ-CB 4.26Å; F102-R120 PolarHBondContact O-N 2.78Å; R103-R120 WeakPolarHBondContact CA-O 3.35Å; N104-R120 PolarHBondContact N-O 2.96Å; R120-C122 PolarHBondContact O-N 3.05Å; R120-C122 VanDerWaalsContact O-N 3.16Å; R120-C122 PolarHBondContact O-SG 3.19Å; R120-E138 VanDerWaalsContact CA-O 3.26Å; R120-E138 WeakPolarHBondContact CA-O 3.44Å; R120-E138 WeakPolarHBondContact CD-OE2 3.31Å; R120-E138 HydrophobicContact CG-CB 3.99Å; R120-E138 HydrophobicContact CG-CG 3.95Å; R120-E138 WeakPolarHBondContact CG-OE2 3.18Å
121	D	98.6	Very high	98.8	Very high	64 Å²	64	31.9 Å²	31.9	34%	0.342	14%	0.136	S	C	.	.	S	Bend	trans	58.6	26.9	174.5	-47.9	-52	0	0	0	114	N104 E138 S139 S140	N104-D121 WeakPolarHBondContact CA-O 3.25Å; N104-D121 WeakPolarHBondContact OD1-CB 3.4Å; D121-E138 PolarHBondContact N-O 3.41Å; D121-S139 WeakPolarHBondContact CA-O 3.42Å; D121-S139 VanDerWaalsContact OD1-CB 3.28Å; D121-S139 WeakPolarHBondContact OD1-CB 3.41Å; D121-S140 PolarHBondContact N-OG 3.14Å
122	C	98.8	Very high	98.7	Very high	3 Å²	3	33 Å²	33	2%	0.02	15%	0.146	C	C	.	.			trans	-107	158.6	-173.1	-64.1	0	0	0	0	113.4	C105 V119 R120 L125 S140 S141 I143	C105-C122 PolarHBondContact N-SG 2.9Å; C105-C122 CarbonylContact O-C 3.56Å; C105-C122 WeakPolarHBondContact O-CA 3.26Å; C105-C122 VanDerWaalsContact O-CB 3.26Å; C105-C122 WeakPolarHBondContact O-CB 3.3Å; V119-C122 HydrophobicContact CG1-CB 3.41Å; V119-C122 VanDerWaalsContact CG1-CB 3.41Å; R120-C122 PolarHBondContact O-N 3.05Å; R120-C122 VanDerWaalsContact O-N 3.16Å; R120-C122 PolarHBondContact O-SG 3.19Å; C122-L125 HydrophobicContact CB-CD1 3.73Å; C122-L125 HydrophobicContact CB-CG 4.11Å; C122-S140 PolarHBondContact N-OG 2.81Å; C122-S140 CarbonylContact O-C 3.03Å; C122-S140 WeakPolarHBondContact O-CA 3.25Å; C122-S140 VanDerWaalsContact O-CB 3.3Å; C122-S140 WeakPolarHBondContact O-CB 3.18Å; C122-S141 PolarHBondContact O-N 3.41Å; C122-I143 HydrophobicContact CB-CD1 4.42Å
123	R	98.7	Very high	98.6	Very high	154 Å²	154	35.2 Å²	35.2	58%	0.581	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.3	-179	-172.6	174.2	-172.2	-159.3	2.7	112.7	C105 R106 D107 S141	C105-R123 PolarHBondContact O-N 2.82Å; R106-R123 CarbonylContact C-O 3.54Å; R106-R123 VanDerWaalsContact CA-O 3.25Å; R106-R123 WeakPolarHBondContact CA-O 3.38Å; D107-R123 PolarHBondContact N-O 2.91Å; R123-S141 CarbonylContact C-O 3.54Å; R123-S141 WeakPolarHBondContact CA-O 3.16Å
124	K	98.7	Very high	98.6	Very high	83 Å²	83	39 Å²	39	36%	0.361	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	64.9	179.4	-62.2	165.3	169.2	179.7	0	112.3	D107 C108 S141 N142	D107-K124 CarbonylContact C-O 3.46Å; D107-K124 WeakPolarHBondContact CA-O 3.34Å; D107-K124 PolarHBondContact N-O 3.16Å; D107-K124 WeakPolarHBondContact OD1-CD 3.49Å; D107-K124 WeakPolarHBondContact OD1-CE 3.37Å; D107-K124 IonicContact OD1-NZ 3.56Å; D107-K124 PolarHBondContact OD1-NZ 2.83Å; D107-K124 IonicContact OD2-NZ 3.46Å; C108-K124 PolarHBondContact N-O 3.19Å; K124-S141 PolarHBondContact N-O 3.4Å; K124-N142 WeakPolarHBondContact CA-O 3.2Å; K124-N142 HydrophobicContact CG-CB 4.19Å
125	L	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.7	167.8	-54.8	-176.1	0	0	0	108.8	F102 C105 C108 V119 C122 V127 N142 I143 K144	F102-L125 HydrophobicContact CB-CD1 4.12Å; F102-L125 HydrophobicContact CD1-CD1 4.18Å; F102-L125 HydrophobicContact CG-CD1 4.12Å; C105-L125 HydrophobicContact CB-CD2 4.12Å; C108-L125 HydrophobicContact CB-CD2 3.82Å; C108-L125 WeakPolarHBondContact O-CA 3.2Å; V119-L125 HydrophobicContact CG1-CD1 3.77Å; V119-L125 HydrophobicContact CG2-CD1 4.35Å; C122-L125 HydrophobicContact CB-CD1 3.73Å; C122-L125 HydrophobicContact CB-CG 4.11Å; L125-V127 HydrophobicContact CB-CG2 4.14Å; L125-N142 PolarHBondContact N-O 2.79Å; L125-I143 HydrophobicContact CB-CD1 3.96Å; L125-I143 HydrophobicContact CB-CG2 4.34Å; L125-I143 HydrophobicContact CD1-CD1 4.22Å; L125-I143 HydrophobicContact CG-CD1 3.87Å; L125-I143 CarbonylContact O-C 3.57Å; L125-K144 PolarHBondContact O-N 2.93Å
126	E	98.9	Very high	98.5	Very high	31 Å²	31	36.6 Å²	36.6	15%	0.145	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108.6	177.8	-59.3	-174.1	131	0	0	108.5	C108 K109 C110 K144 L189 Y198	C108-E126 PolarHBondContact O-N 3.15Å; K109-E126 CarbonylContact C-O 3.53Å; K109-E126 WeakPolarHBondContact CA-O 3.41Å; K109-E126 VanDerWaalsContact CE-OE2 3.3Å; K109-E126 WeakPolarHBondContact CE-OE2 3.09Å; K109-E126 HydrophobicContact CG-CB 4.41Å; K109-E126 IonicContact NZ-OE2 3.55Å; C110-E126 PolarHBondContact N-O 2.77Å; E126-K144 HydrophobicContact CG-CB 4.36Å; E126-K144 HydrophobicContact CG-CD 4.17Å; E126-K144 HydrophobicContact CG-CG 4.41Å; E126-K144 WeakPolarHBondContact OE1-CE 3.26Å; E126-K144 IonicContact OE1-NZ 2.65Å; E126-K144 PolarHBondContact OE1-NZ 3.47Å; E126-L189 HydrophobicContact CB-CD2 4.3Å; E126-L189 HydrophobicContact CG-CD2 4.47Å; E126-Y198 HydrophobicContact CB-CD1 4.02Å; E126-Y198 HydrophobicContact CB-CE1 4.36Å; E126-Y198 WeakPolarHBondContact OE2-CD1 3.44Å; E126-Y198 WeakPolarHBondContact OE2-CE1 3.49Å
127	V	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.4	-161.8	-170.6	0	0	0	0	112.3	C110 L112 F117 L125 L129 K144 F145 G146	C110-V127 HydrophobicContact CB-CG1 4.19Å; C110-V127 HydrophobicContact CB-CG2 4.23Å; C110-V127 CarbonylContact O-C 3.57Å; C110-V127 WeakPolarHBondContact O-CA 3.48Å; L112-V127 HydrophobicContact CD2-CG1 3.93Å; L112-V127 HydrophobicContact CG-CG1 4.18Å; F117-V127 HydrophobicContact CE2-CG1 4.21Å; F117-V127 HydrophobicContact CZ-CG1 4.21Å; F117-V127 HydrophobicContact CZ-CG2 4.2Å; L125-V127 HydrophobicContact CB-CG2 4.14Å; V127-L129 HydrophobicContact CG1-CB 4.12Å; V127-K144 PolarHBondContact N-O 3.24Å; V127-F145 CarbonylContact O-C 3.55Å; V127-F145 WeakPolarHBondContact O-CA 3.43Å; V127-G146 PolarHBondContact O-N 3.48Å
128	F	98.9	Very high	98.5	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	106.3	164.9	-63.6	-96.4	0	0	0	108.8	C110 T111 L112 G146 C147 L189 A193 V195 Y198	C110-F128 PolarHBondContact O-N 2.89Å; T111-F128 WeakPolarHBondContact CA-O 3.19Å; T111-F128 HydrophobicContact CG2-CB 4.12Å; L112-F128 PolarHBondContact N-O 3.34Å; F128-G146 CarbonylContact C-O 3.51Å; F128-G146 WeakPolarHBondContact CA-O 3.42Å; F128-C147 WeakPolarHBondContact CD1-O 3.39Å; F128-L189 HydrophobicContact CD2-CD1 4.28Å; F128-L189 HydrophobicContact CE1-CD1 4.2Å; F128-L189 HydrophobicContact CE2-CD1 3.84Å; F128-L189 HydrophobicContact CZ-CD1 3.81Å; F128-A193 HydrophobicContact CZ-CB 4.35Å; F128-V195 HydrophobicContact CD1-CG2 4.22Å; F128-V195 HydrophobicContact CE1-CG2 3.96Å; F128-V195 HydrophobicContact CZ-CG2 4.35Å; F128-Y198 HydrophobicContact CE2-CD1 4.47Å; F128-Y198 HydrophobicContact CE2-CD2 4.06Å; F128-Y198 AromaticContact CE2-CG 3.84Å; F128-Y198 HydrophobicContact CE2-CG 3.84Å; F128-Y198 HydrophobicContact CZ-CD2 4.01Å; F128-Y198 HydrophobicContact CZ-CG 4.25Å
129	L	98.9	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.9	-161.8	-178.8	60.7	0	0	0	112.6	L112 F117 V127 C131 P135 F145 G146 F148 N169 W171	L112-L129 HydrophobicContact CD1-CD1 3.46Å; L112-L129 VanDerWaalsContact CD1-CD1 3.46Å; L112-L129 HydrophobicContact CG-CD1 4.22Å; F117-L129 HydrophobicContact CB-CD1 4.24Å; F117-L129 HydrophobicContact CB-CD2 4.19Å; F117-L129 HydrophobicContact CD1-CD2 4.08Å; F117-L129 HydrophobicContact CD2-CD1 3.77Å; F117-L129 HydrophobicContact CD2-CD2 4.41Å; F117-L129 HydrophobicContact CE2-CD1 4.32Å; F117-L129 HydrophobicContact CG-CD1 4.05Å; F117-L129 HydrophobicContact CG-CD2 3.97Å; V127-L129 HydrophobicContact CG1-CB 4.12Å; L129-C131 HydrophobicContact CD1-CB 4.02Å; L129-C131 HydrophobicContact CD2-CB 3.92Å; L129-C131 HydrophobicContact CG-CB 3.84Å; L129-P135 HydrophobicContact CD2-CB 3.91Å; L129-P135 HydrophobicContact CD2-CG 3.61Å; L129-F145 HydrophobicContact CD2-CD1 3.78Å; L129-F145 HydrophobicContact CD2-CE1 3.85Å; L129-G146 PolarHBondContact N-O 2.87Å; L129-F148 PolarHBondContact O-N 3.07Å; L129-N169 PolarHBondContact O-ND2 3.04Å; L129-W171 HydrophobicContact CB-CB 4.02Å; L129-W171 HydrophobicContact CD2-CB 4.45Å; L129-W171 HydrophobicContact CG-CB 4.21Å; L129-W171 VanDerWaalsContact O-CB 3.28Å; L129-W171 WeakPolarHBondContact O-CB 3.32Å
130	C	98.9	Very high	98.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.02	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.3	155.9	-178.7	0	0	0	0	108	L112 A113 C114 F148 N169 V221	L112-C130 PolarHBondContact O-N 3.01Å; A113-C130 CarbonylContact C-O 3.59Å; A113-C130 WeakPolarHBondContact CA-O 3.48Å; A113-C130 HydrophobicContact CB-CB 3.8Å; C114-C130 PolarHBondContact N-O 3.21Å; C130-F148 HydrophobicContact CB-CB 3.68Å; C130-F148 HydrophobicContact CB-CD2 4.27Å; C130-F148 HydrophobicContact CB-CG 4.08Å; C130-N169 WeakPolarHBondContact CA-OD1 3.42Å; C130-V221 HydrophobicContact CB-CG2 4.05Å
131	C	98.7	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	122.3	-177.2	-163.3	0	0	0	0	111.5	C114 F117 L129 T133 P135 N169 T170	C114-C131 WeakPolarHBondContact O-CA 3.25Å; F117-C131 HydrophobicContact CB-CB 4.46Å; F117-C131 PolarHBondContact N-SG 2.92Å; F117-C131 VanDerWaalsContact N-SG 3.41Å; L129-C131 HydrophobicContact CD1-CB 4.02Å; L129-C131 HydrophobicContact CD2-CB 3.92Å; L129-C131 HydrophobicContact CG-CB 3.84Å; C131-T133 PolarHBondContact SG-O 2.98Å; C131-P135 HydrophobicContact CB-CG 3.96Å; C131-N169 PolarHBondContact N-OD1 2.99Å; C131-N169 WeakPolarHBondContact O-CA 3.42Å; C131-T170 PolarHBondContact O-N 3.11Å; C131-T170 PolarHBondContact O-OG1 2.95Å
132	A	97.6	Very high	98.4	Very high	25 Å²	25	35 Å²	35	21%	0.207	18%	0.179	C	C	.	.	S	Bend	trans	-70	-34	-178	0	0	0	0	0	112.9	C114 Q115 N168	C114-A132 PolarHBondContact O-N 2.86Å; Q115-A132 HydrophobicContact CG-CB 4.3Å; Q115-A132 PolarHBondContact O-N 3.34Å; A132-N168 WeakPolarHBondContact CA-O 3.4Å
133	T	96.4	Very high	98.4	Very high	46 Å²	46	34.9 Å²	34.9	28%	0.282	18%	0.178	S	C	.	.	S	Bend	trans	-105.2	170.8	173.6	70.6	0	0	0	0	111.9	Q115 Q116 C131 P135 T170	Q115-T133 PolarHBondContact O-N 3.38Å; Q115-T133 PolarHBondContact O-OG1 2.83Å; Q116-T133 HydrophobicContact CG-CG2 4.35Å; C131-T133 PolarHBondContact SG-O 2.98Å; T133-P135 VanDerWaalsContact O-CD 3.31Å; T133-P135 WeakPolarHBondContact O-CD 3.43Å; T133-T170 PolarHBondContact O-OG1 3.31Å
134	Q	97.5	Very high	98.4	Very high	80 Å²	80	30.1 Å²	30.1	37%	0.374	16%	0.162	S	C	.	.			trans	-53.4	122.2	172.1	-157.3	178.1	19.9	0	0	111	N173 H175	Q134-N173 WeakPolarHBondContact CG-O 3.5Å; Q134-N173 PolarHBondContact NE2-OD1 3.26Å; Q134-H175 HydrophobicContact CG-CB 4.35Å
135	P	98.6	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.			trans	-66.6	141.5	173.7	-22.4	34.4	0	0	0	111.8	F117 L129 C131 T133 F145 T170 N173 I174 H175	F117-P135 HydrophobicContact CB-CB 4.13Å; F117-P135 HydrophobicContact CD1-CB 3.94Å; F117-P135 HydrophobicContact CG-CB 4.45Å; L129-P135 HydrophobicContact CD2-CB 3.91Å; L129-P135 HydrophobicContact CD2-CG 3.61Å; C131-P135 HydrophobicContact CB-CG 3.96Å; T133-P135 VanDerWaalsContact O-CD 3.31Å; T133-P135 WeakPolarHBondContact O-CD 3.43Å; P135-F145 HydrophobicContact CB-CE1 4.37Å; P135-T170 WeakPolarHBondContact CD-O 3.33Å; P135-N173 WeakPolarHBondContact CD-O 3.33Å; P135-I174 HydrophobicContact CB-CD1 3.8Å; P135-I174 HydrophobicContact CG-CD1 3.99Å; P135-H175 PolarHBondContact O-N 2.91Å
136	I	98.5	Very high	98.5	Very high	34 Å²	34	26.2 Å²	26.2	17%	0.174	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136	-173.2	-73.5	164.6	0	0	0	111.4	F117 R118 V119 H175 F177	F117-I136 PolarHBondContact O-N 2.99Å; R118-I136 WeakPolarHBondContact CA-O 3.36Å; V119-I136 PolarHBondContact N-O 2.9Å; I136-H175 WeakPolarHBondContact CA-O 3.42Å; I136-H175 HydrophobicContact CG1-CB 4.26Å; I136-F177 HydrophobicContact CD1-CE2 4.24Å; I136-F177 HydrophobicContact CG1-CE2 4.33Å; I136-F177 HydrophobicContact CG2-CD2 3.6Å; I136-F177 HydrophobicContact CG2-CE2 3.51Å
137	I	98.6	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.2	166.5	75.2	173.7	0	0	0	111.6	V119 I143 F145 I174 H175 D176 F177 N185 W186	V119-I137 HydrophobicContact CB-CB 4.35Å; V119-I137 HydrophobicContact CB-CG2 4.04Å; V119-I137 HydrophobicContact CG2-CG2 4.23Å; V119-I137 CarbonylContact O-C 3.55Å; V119-I137 WeakPolarHBondContact O-CA 3.32Å; I137-I143 HydrophobicContact CD1-CG1 4.47Å; I137-I143 HydrophobicContact CG2-CG1 4.47Å; I137-I143 HydrophobicContact CG2-CG2 4.3Å; I137-F145 HydrophobicContact CG2-CE2 4.48Å; I137-F145 HydrophobicContact CG2-CZ 4.09Å; I137-I174 HydrophobicContact CG1-CG2 4.42Å; I137-I174 HydrophobicContact CG2-CG2 4.05Å; I137-H175 PolarHBondContact N-O 2.67Å; I137-D176 HydrophobicContact CD1-CB 4.1Å; I137-D176 HydrophobicContact CG1-CB 3.79Å; I137-F177 PolarHBondContact O-N 3.03Å; I137-N185 HydrophobicContact CD1-CB 3.87Å; I137-W186 HydrophobicContact CD1-CB 3.97Å; I137-W186 HydrophobicContact CD1-CG 4.19Å
138	E	98.4	Very high	98.4	Very high	80 Å²	80	25.3 Å²	25.3	37%	0.374	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.5	177.6	178	-172.8	-167.3	0	0	109.1	V119 R120 D121 S140 F177 T178	V119-E138 PolarHBondContact O-N 2.96Å; R120-E138 VanDerWaalsContact CA-O 3.26Å; R120-E138 WeakPolarHBondContact CA-O 3.44Å; R120-E138 WeakPolarHBondContact CD-OE2 3.31Å; R120-E138 HydrophobicContact CG-CB 3.99Å; R120-E138 HydrophobicContact CG-CG 3.95Å; R120-E138 WeakPolarHBondContact CG-OE2 3.18Å; D121-E138 PolarHBondContact N-O 3.41Å; E138-S140 WeakPolarHBondContact O-CB 3.34Å; E138-S140 PolarHBondContact O-N 3Å; E138-S140 PolarHBondContact O-OG 3.49Å; E138-F177 HydrophobicContact CB-CB 4.23Å; E138-F177 HydrophobicContact CG-CB 4.29Å; E138-T178 HydrophobicContact CG-CG2 4.1Å
139	S	98	Very high	98.4	Very high	64 Å²	64	26.6 Å²	26.6	45%	0.448	15%	0.148	S	C	.	.	S	Bend	trans	48	32.4	178.1	-60.7	0	0	0	0	114.6	D121 T178	D121-S139 WeakPolarHBondContact CA-O 3.42Å; D121-S139 VanDerWaalsContact OD1-CB 3.28Å; D121-S139 WeakPolarHBondContact OD1-CB 3.41Å; S139-T178 PolarHBondContact N-OG1 3.46Å
140	S	98.4	Very high	98.4	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	15%	0.148	C	C	.	.			trans	-128.3	155.1	-167.1	-63.7	0	0	0	0	111.8	D121 C122 E138 N185	D121-S140 PolarHBondContact N-OG 3.14Å; C122-S140 PolarHBondContact N-OG 2.81Å; C122-S140 CarbonylContact O-C 3.03Å; C122-S140 WeakPolarHBondContact O-CA 3.25Å; C122-S140 VanDerWaalsContact O-CB 3.3Å; C122-S140 WeakPolarHBondContact O-CB 3.18Å; E138-S140 WeakPolarHBondContact O-CB 3.34Å; E138-S140 PolarHBondContact O-N 3Å; E138-S140 PolarHBondContact O-OG 3.49Å; S140-N185 VanDerWaalsContact O-CB 3.3Å; S140-N185 WeakPolarHBondContact O-CB 3.48Å; S140-N185 VanDerWaalsContact O-CG 3.23Å; S140-N185 PolarHBondContact O-OD1 2.76Å
141	S	98.3	Very high	98.4	Very high	45 Å²	45	29.2 Å²	29.2	32%	0.315	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.8	-175.7	58.8	0	0	0	0	114.7	C122 R123 K124 N185	C122-S141 PolarHBondContact O-N 3.41Å; R123-S141 CarbonylContact C-O 3.54Å; R123-S141 WeakPolarHBondContact CA-O 3.16Å; K124-S141 PolarHBondContact N-O 3.4Å; S141-N185 CarbonylContact C-O 3.57Å
142	N	98.4	Very high	98.4	Very high	74 Å²	74	29.2 Å²	29.2	40%	0.396	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	48	-176.1	-163.5	-7.6	0	0	0	112.5	K124 L125 K144 N185	K124-N142 WeakPolarHBondContact CA-O 3.2Å; K124-N142 HydrophobicContact CG-CB 4.19Å; L125-N142 PolarHBondContact N-O 2.79Å; N142-K144 VanDerWaalsContact OD1-CE 3.29Å; N142-K144 WeakPolarHBondContact OD1-CE 3.44Å; N142-N185 WeakPolarHBondContact CA-O 3.33Å; N142-N185 PolarHBondContact N-O 2.98Å
143	I	98.8	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121	176.6	-48.3	-55.7	0	0	0	108.9	V119 C122 L125 I137 F145 N185 W186 S187	V119-I143 HydrophobicContact CG1-CD1 4.37Å; C122-I143 HydrophobicContact CB-CD1 4.42Å; L125-I143 HydrophobicContact CB-CD1 3.96Å; L125-I143 HydrophobicContact CB-CG2 4.34Å; L125-I143 HydrophobicContact CD1-CD1 4.22Å; L125-I143 HydrophobicContact CG-CD1 3.87Å; L125-I143 CarbonylContact O-C 3.57Å; I137-I143 HydrophobicContact CD1-CG1 4.47Å; I137-I143 HydrophobicContact CG2-CG1 4.47Å; I137-I143 HydrophobicContact CG2-CG2 4.3Å; I143-F145 HydrophobicContact CB-CE2 4.15Å; I143-F145 HydrophobicContact CG2-CD2 4.33Å; I143-F145 HydrophobicContact CG2-CE1 4.42Å; I143-F145 HydrophobicContact CG2-CE2 3.47Å; I143-F145 VanDerWaalsContact CG2-CE2 3.47Å; I143-F145 HydrophobicContact CG2-CZ 3.53Å; I143-N185 PolarHBondContact N-O 2.98Å; I143-W186 HydrophobicContact CB-CB 4.26Å; I143-W186 CarbonylContact O-C 3.55Å; I143-W186 WeakPolarHBondContact O-CA 3.37Å; I143-W186 VanDerWaalsContact O-CB 3.23Å; I143-W186 WeakPolarHBondContact O-CB 3.36Å; I143-S187 PolarHBondContact O-N 3.07Å
144	K	98.9	Very high	98.6	Very high	54 Å²	54	32.3 Å²	32.3	24%	0.235	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.4	-176.8	-50.6	-172.6	-166	157.1	0	111.6	L125 E126 V127 N142 S187 L189	L125-K144 PolarHBondContact O-N 2.93Å; E126-K144 HydrophobicContact CG-CB 4.36Å; E126-K144 HydrophobicContact CG-CD 4.17Å; E126-K144 HydrophobicContact CG-CG 4.41Å; E126-K144 WeakPolarHBondContact OE1-CE 3.26Å; E126-K144 IonicContact OE1-NZ 2.65Å; E126-K144 PolarHBondContact OE1-NZ 3.47Å; V127-K144 PolarHBondContact N-O 3.24Å; N142-K144 VanDerWaalsContact OD1-CE 3.29Å; N142-K144 WeakPolarHBondContact OD1-CE 3.44Å; K144-S187 VanDerWaalsContact CA-O 3.32Å; K144-S187 WeakPolarHBondContact CA-O 3.46Å; K144-L189 HydrophobicContact CB-CD2 3.63Å; K144-L189 HydrophobicContact CB-CG 3.83Å; K144-L189 HydrophobicContact CD-CD2 3.74Å; K144-L189 HydrophobicContact CG-CD2 4.38Å
145	F	98.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.2	-177	-64.4	-89.8	0	0	0	112.4	F117 V127 L129 P135 I137 I143 W171 I174 W186 S187 L188 L189	F117-F145 AromaticContact CD1-CE1 3.93Å; F117-F145 HydrophobicContact CD1-CE1 3.93Å; F117-F145 HydrophobicContact CD1-CZ 4.41Å; F117-F145 AromaticContact CE1-CE1 3.48Å; F117-F145 HydrophobicContact CE1-CE1 3.48Å; F117-F145 VanDerWaalsContact CE1-CE1 3.48Å; F117-F145 AromaticContact CE1-CZ 3.87Å; F117-F145 HydrophobicContact CE1-CZ 3.87Å; F117-F145 HydrophobicContact CZ-CE1 4.26Å; V127-F145 CarbonylContact O-C 3.55Å; V127-F145 WeakPolarHBondContact O-CA 3.43Å; L129-F145 HydrophobicContact CD2-CD1 3.78Å; L129-F145 HydrophobicContact CD2-CE1 3.85Å; P135-F145 HydrophobicContact CB-CE1 4.37Å; I137-F145 HydrophobicContact CG2-CE2 4.48Å; I137-F145 HydrophobicContact CG2-CZ 4.09Å; I143-F145 HydrophobicContact CB-CE2 4.15Å; I143-F145 HydrophobicContact CG2-CD2 4.33Å; I143-F145 HydrophobicContact CG2-CE1 4.42Å; I143-F145 HydrophobicContact CG2-CE2 3.47Å; I143-F145 VanDerWaalsContact CG2-CE2 3.47Å; I143-F145 HydrophobicContact CG2-CZ 3.53Å; F145-W171 HydrophobicContact CB-CE3 4.09Å; F145-W171 HydrophobicContact CB-CZ3 4.32Å; F145-W171 WeakPolarHBondContact O-CZ3 3.31Å; F145-I174 HydrophobicContact CB-CD1 4.39Å; F145-I174 HydrophobicContact CD1-CD1 3.76Å; F145-I174 HydrophobicContact CD2-CD1 3.53Å; F145-I174 HydrophobicContact CD2-CG1 3.67Å; F145-I174 HydrophobicContact CE1-CD1 3.79Å; F145-I174 HydrophobicContact CE2-CB 4.43Å; F145-I174 HydrophobicContact CE2-CD1 3.57Å; F145-I174 HydrophobicContact CE2-CG1 3.65Å; F145-I174 HydrophobicContact CE2-CG2 3.93Å; F145-I174 HydrophobicContact CG-CD1 3.63Å; F145-I174 HydrophobicContact CG-CG1 4.25Å; F145-I174 HydrophobicContact CZ-CD1 3.69Å; F145-I174 HydrophobicContact CZ-CG1 4.21Å; F145-I174 HydrophobicContact CZ-CG2 4.12Å; F145-W186 HydrophobicContact CD2-CB 4.48Å; F145-W186 HydrophobicContact CE2-CB 4.08Å; F145-S187 PolarHBondContact N-O 3.03Å; F145-L188 HydrophobicContact CB-CD2 4.27Å; F145-L188 CarbonylContact O-C 3.48Å; F145-L188 WeakPolarHBondContact O-CA 3.41Å; F145-L189 PolarHBondContact O-N 3.04Å
146	G	98.8	Very high	98.6	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	165.8	167	0	0	0	0	0	110.4	V127 F128 L129 W171	V127-G146 PolarHBondContact O-N 3.48Å; F128-G146 CarbonylContact C-O 3.51Å; F128-G146 WeakPolarHBondContact CA-O 3.42Å; L129-G146 PolarHBondContact N-O 2.87Å; G146-W171 VanDerWaalsContact CA-CZ3 3.45Å
147	C	98.9	Very high	98.6	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	141.2	171.9	-173.3	0	0	0	0	110	F128 Q149 W171 I223	F128-C147 WeakPolarHBondContact CD1-O 3.39Å; C147-Q149 PolarHBondContact O-N 3.36Å; C147-W171 HydrophobicContact CB-CD2 4.11Å; C147-W171 HydrophobicContact CB-CG 4.37Å; C147-W171 HydrophobicContact CB-CZ2 4.05Å; C147-I223 HydrophobicContact CB-CG2 4.4Å
148	F	98.9	Very high	98.6	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.193	C	C	.	.			trans	-53.3	127.7	170.9	-174.6	-83.9	0	0	0	111.5	F92 T111 L112 A113 L129 C130 W150 L155 F159 S219 I220 V221 I223	F92-F148 HydrophobicContact CE2-CE2 4.24Å; F92-F148 HydrophobicContact CE2-CZ 4.17Å; F92-F148 HydrophobicContact CZ-CZ 4.47Å; T111-F148 HydrophobicContact CG2-CD2 3.77Å; T111-F148 HydrophobicContact CG2-CE2 3.71Å; T111-F148 HydrophobicContact CG2-CG 4.49Å; T111-F148 HydrophobicContact CG2-CZ 4.39Å; L112-F148 WeakPolarHBondContact O-CD2 3.38Å; A113-F148 HydrophobicContact CB-CD2 4.3Å; A113-F148 HydrophobicContact CB-CE2 4.11Å; L129-F148 PolarHBondContact O-N 3.07Å; C130-F148 HydrophobicContact CB-CB 3.68Å; C130-F148 HydrophobicContact CB-CD2 4.27Å; C130-F148 HydrophobicContact CB-CG 4.08Å; F148-W150 HydrophobicContact CD1-CB 4.26Å; F148-W150 HydrophobicContact CE1-CB 3.47Å; F148-W150 VanDerWaalsContact CE1-CB 3.47Å; F148-W150 HydrophobicContact CE2-CB 4.37Å; F148-W150 HydrophobicContact CZ-CB 3.56Å; F148-W150 HydrophobicContact CZ-CG 4.48Å; F148-L155 HydrophobicContact CE1-CD2 4.24Å; F148-L155 HydrophobicContact CZ-CD2 4.2Å; F148-F159 HydrophobicContact CE1-CE2 4.48Å; F148-F159 HydrophobicContact CZ-CE2 4.45Å; F148-S219 PolarHBondContact O-OG 2.97Å; F148-I220 HydrophobicContact CE1-CG2 3.93Å; F148-V221 HydrophobicContact CB-CB 4.23Å; F148-V221 HydrophobicContact CB-CG1 4.48Å; F148-V221 HydrophobicContact CB-CG2 4.23Å; F148-V221 HydrophobicContact CD1-CB 3.84Å; F148-V221 HydrophobicContact CD1-CG2 3.54Å; F148-V221 HydrophobicContact CE1-CG2 4.13Å; F148-V221 HydrophobicContact CG-CB 4.41Å; F148-V221 HydrophobicContact CG-CG2 4.06Å; F148-I223 VanDerWaalsContact O-CD1 3.29Å; F148-I223 WeakPolarHBondContact O-CD1 3.34Å
149	Q	98.8	Very high	98.6	Very high	35 Å²	35	32.3 Å²	32.3	16%	0.164	18%	0.176	C	C	.	.			trans	-138.4	89.7	179.6	-180	168.5	-47.1	0	0	109.8	C147 V195 T214 S219 I223	C147-Q149 PolarHBondContact O-N 3.36Å; Q149-V195 HydrophobicContact CB-CG2 3.77Å; Q149-V195 HydrophobicContact CG-CG2 3.83Å; Q149-T214 WeakPolarHBondContact CG-O 3.36Å; Q149-T214 PolarHBondContact NE2-O 3.3Å; Q149-S219 WeakPolarHBondContact CA-OG 3.39Å; Q149-I223 HydrophobicContact CB-CD1 3.68Å; Q149-I223 HydrophobicContact CG-CD1 3.88Å
150	W	98.8	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.			trans	-158.8	151.5	-176.7	-150.7	-89.1	0	0	0	112.4	F75 F92 T111 F148 Y152 V195 V199 V212 T214 S219 I220	F75-W150 HydrophobicContact CE1-CZ2 4.24Å; F75-W150 AromaticContact CE1-NE1 3.89Å; F92-W150 HydrophobicContact CB-CZ2 4.45Å; F92-W150 AromaticContact CD2-CD2 3.63Å; F92-W150 HydrophobicContact CD2-CD2 3.63Å; F92-W150 AromaticContact CD2-CE2 3.43Å; F92-W150 VanDerWaalsContact CD2-CE2 3.43Å; F92-W150 HydrophobicContact CD2-CE3 4.09Å; F92-W150 HydrophobicContact CD2-CG 4.03Å; F92-W150 HydrophobicContact CD2-CH2 4.22Å; F92-W150 AromaticContact CD2-CZ2 3.74Å; F92-W150 HydrophobicContact CD2-CZ2 3.74Å; F92-W150 HydrophobicContact CD2-CZ3 4.37Å; F92-W150 AromaticContact CD2-NE1 3.72Å; F92-W150 HydrophobicContact CE2-CB 4.08Å; F92-W150 AromaticContact CE2-CD1 3.38Å; F92-W150 AromaticContact CE2-CD2 3.59Å; F92-W150 HydrophobicContact CE2-CD2 3.59Å; F92-W150 AromaticContact CE2-CE2 3.61Å; F92-W150 HydrophobicContact CE2-CE3 4.37Å; F92-W150 AromaticContact CE2-CG 3.45Å; F92-W150 HydrophobicContact CE2-CG 3.45Å; F92-W150 VanDerWaalsContact CE2-CG 3.45Å; F92-W150 HydrophobicContact CE2-CZ2 4.37Å; F92-W150 AromaticContact CE2-NE1 3.46Å; F92-W150 HydrophobicContact CG-CZ2 4.13Å; F92-W150 AromaticContact CZ-CD1 3.8Å; F92-W150 HydrophobicContact CZ-CG 4.27Å; F92-W150 AromaticContact CZ-NE1 3.89Å; T111-W150 HydrophobicContact CG2-CB 4.24Å; T111-W150 HydrophobicContact CG2-CD2 4.3Å; T111-W150 HydrophobicContact CG2-CE3 3.83Å; F148-W150 HydrophobicContact CD1-CB 4.26Å; F148-W150 HydrophobicContact CE1-CB 3.47Å; F148-W150 VanDerWaalsContact CE1-CB 3.47Å; F148-W150 HydrophobicContact CE2-CB 4.37Å; F148-W150 HydrophobicContact CZ-CB 3.56Å; F148-W150 HydrophobicContact CZ-CG 4.48Å; W150-Y152 AromaticContact CD1-CD1 3.72Å; W150-Y152 AromaticContact CD1-CE1 3.91Å; W150-Y152 AromaticContact NE1-CD1 3.82Å; W150-V195 HydrophobicContact CE3-CG1 3.99Å; W150-V195 HydrophobicContact CZ3-CG1 3.87Å; W150-V199 HydrophobicContact CH2-CB 4.39Å; W150-V199 HydrophobicContact CH2-CG1 3.68Å; W150-V199 HydrophobicContact CZ3-CB 4.01Å; W150-V199 HydrophobicContact CZ3-CG1 3.7Å; W150-V199 WeakPolarHBondContact CZ3-O 3.31Å; W150-V212 HydrophobicContact CD2-CG1 4.25Å; W150-V212 VanDerWaalsContact CE2-CG1 3.48Å; W150-V212 HydrophobicContact CH2-CG1 4.4Å; W150-V212 HydrophobicContact CZ2-CG1 3.59Å; W150-V212 HydrophobicContact CZ2-CG2 4.33Å; W150-T214 HydrophobicContact CD2-CG2 4.31Å; W150-T214 HydrophobicContact CE3-CG2 3.76Å; W150-T214 HydrophobicContact CH2-CG2 4.25Å; W150-T214 HydrophobicContact CZ3-CG2 3.73Å; W150-S219 PolarHBondContact N-OG 2.79Å; W150-S219 WeakPolarHBondContact O-CA 3.45Å; W150-I220 PolarHBondContact O-N 3.26Å
151	Y	98.8	Very high	98.6	Very high	59 Å²	59	40.4 Å²	40.4	23%	0.231	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-146.9	140.8	176.5	173.5	-87.9	0	0	0	111.5	V212 S213 R218	Y151-V212 CarbonylContact O-C 3.54Å; Y151-V212 VanDerWaalsContact O-CA 3.24Å; Y151-V212 WeakPolarHBondContact O-CA 3.46Å; Y151-S213 PolarHBondContact N-O 2.63Å; Y151-S213 PolarHBondContact O-N 2.67Å; Y151-R218 VanDerWaalsContact CB-O 3.31Å; Y151-R218 WeakPolarHBondContact CB-O 3.37Å; Y151-R218 VanDerWaalsContact CD2-O 3.26Å; Y151-R218 WeakPolarHBondContact CD2-O 3.46Å
152	Y	98.7	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.			trans	-152	161.6	152.8	50	-87.1	0	0	0	108	F75 F92 W150 E154 L155 Q158 V210	F75-Y152 WeakPolarHBondContact CA-OH 3.35Å; F75-Y152 HydrophobicContact CB-CE2 4.24Å; F75-Y152 HydrophobicContact CD1-CD1 4.11Å; F75-Y152 AromaticContact CD1-CE1 3.62Å; F75-Y152 HydrophobicContact CD1-CE1 3.62Å; F75-Y152 AromaticContact CD1-CZ 3.92Å; F75-Y152 HydrophobicContact CE1-CE1 4.31Å; F92-Y152 AromaticContact CE1-CE1 3.81Å; F92-Y152 HydrophobicContact CE1-CE1 3.81Å; F92-Y152 AromaticContact CZ-CE1 3.66Å; F92-Y152 HydrophobicContact CZ-CE1 3.66Å; W150-Y152 AromaticContact CD1-CD1 3.72Å; W150-Y152 AromaticContact CD1-CE1 3.91Å; W150-Y152 AromaticContact NE1-CD1 3.82Å; Y152-E154 VanDerWaalsContact C-N 3.31Å; Y152-E154 HydrophobicContact CD2-CB 4.07Å; Y152-E154 WeakPolarHBondContact CD2-OE2 3.21Å; Y152-E154 HydrophobicContact CE2-CB 4.19Å; Y152-E154 PolarHBondContact O-N 3.06Å; Y152-L155 HydrophobicContact CD1-CB 4.04Å; Y152-L155 HydrophobicContact CD1-CD2 4.1Å; Y152-L155 HydrophobicContact CD2-CB 3.83Å; Y152-L155 HydrophobicContact CE1-CB 3.94Å; Y152-L155 HydrophobicContact CE1-CD1 3.85Å; Y152-L155 HydrophobicContact CE1-CD2 3.92Å; Y152-L155 HydrophobicContact CE1-CG 4.11Å; Y152-L155 HydrophobicContact CE2-CB 3.73Å; Y152-L155 HydrophobicContact CE2-CD1 4.37Å; Y152-L155 HydrophobicContact CG-CB 3.99Å; Y152-L155 VanDerWaalsContact O-CB 3.3Å; Y152-L155 WeakPolarHBondContact O-CB 3.2Å; Y152-L155 PolarHBondContact O-N 3.14Å; Y152-Q158 PolarHBondContact OH-OE1 2.87Å; Y152-V210 HydrophobicContact CD1-CG1 4.15Å; Y152-V210 HydrophobicContact CD2-CG1 3.83Å; Y152-V210 HydrophobicContact CE2-CG1 4.5Å; Y152-V210 HydrophobicContact CG-CG1 3.62Å
153	P	98.4	Very high	98.6	Very high	60 Å²	60	37.8 Å²	37.8	39%	0.39	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.5	-169.8	-28.4	36.7	0	0	0	115.2	R211	P153-R211 HydrophobicContact CG-CB 4.46Å
154	E	98.6	Very high	98.6	Very high	76 Å²	76	38.7 Å²	38.7	36%	0.355	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.8	-175.6	-58.8	78.7	-174.2	0	0	112.9	P54 Y152 A156 F157 Q158	P54-E154 HydrophobicContact CB-CB 4.06Å; P54-E154 HydrophobicContact CB-CG 3.81Å; P54-E154 HydrophobicContact CG-CB 4.17Å; P54-E154 HydrophobicContact CG-CG 3.93Å; Y152-E154 VanDerWaalsContact C-N 3.31Å; Y152-E154 HydrophobicContact CD2-CB 4.07Å; Y152-E154 WeakPolarHBondContact CD2-OE2 3.21Å; Y152-E154 HydrophobicContact CE2-CB 4.19Å; Y152-E154 PolarHBondContact O-N 3.06Å; E154-A156 PolarHBondContact O-N 3.44Å; E154-A156 VanDerWaalsContact O-N 3.14Å; E154-F157 PolarHBondContact O-N 3.15Å; E154-Q158 PolarHBondContact O-N 3.18Å; E154-Q158 VanDerWaalsContact O-N 3.15Å
155	L	98.8	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-35	-171.6	-175.7	58.7	0	0	0	112.8	P95 F148 Y152 F157 Q158 F159 I220	P95-L155 HydrophobicContact CG-CD1 3.76Å; F148-L155 HydrophobicContact CE1-CD2 4.24Å; F148-L155 HydrophobicContact CZ-CD2 4.2Å; Y152-L155 HydrophobicContact CD1-CB 4.04Å; Y152-L155 HydrophobicContact CD1-CD2 4.1Å; Y152-L155 HydrophobicContact CD2-CB 3.83Å; Y152-L155 HydrophobicContact CE1-CB 3.94Å; Y152-L155 HydrophobicContact CE1-CD1 3.85Å; Y152-L155 HydrophobicContact CE1-CD2 3.92Å; Y152-L155 HydrophobicContact CE1-CG 4.11Å; Y152-L155 HydrophobicContact CE2-CB 3.73Å; Y152-L155 HydrophobicContact CE2-CD1 4.37Å; Y152-L155 HydrophobicContact CG-CB 3.99Å; Y152-L155 VanDerWaalsContact O-CB 3.3Å; Y152-L155 WeakPolarHBondContact O-CB 3.2Å; Y152-L155 PolarHBondContact O-N 3.14Å; L155-F157 PolarHBondContact O-N 3.22Å; L155-Q158 PolarHBondContact O-N 3Å; L155-F159 HydrophobicContact CD1-CD2 3.89Å; L155-F159 HydrophobicContact CD1-CE2 3.82Å; L155-F159 HydrophobicContact CD2-CE2 4.44Å; L155-F159 HydrophobicContact CG-CD2 3.99Å; L155-F159 HydrophobicContact CG-CE2 4Å; L155-F159 WeakPolarHBondContact O-CD2 2.98Å; L155-F159 PolarHBondContact O-N 2.86Å; L155-I220 HydrophobicContact CD2-CB 4.04Å; L155-I220 HydrophobicContact CD2-CG2 3.5Å; L155-I220 HydrophobicContact CG-CB 4.36Å; L155-I220 HydrophobicContact CG-CG2 3.85Å
156	A	98.2	Very high	98.6	Very high	46 Å²	46	38.1 Å²	38.1	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-41.4	178.4	0	0	0	0	0	112.9	E154 I220	E154-A156 PolarHBondContact O-N 3.44Å; E154-A156 VanDerWaalsContact O-N 3.14Å; A156-I220 HydrophobicContact CB-CD1 3.69Å; A156-I220 HydrophobicContact CB-CG1 4.38Å
157	F	98.4	Very high	98.6	Very high	135 Å²	135	38 Å²	38	59%	0.592	21%	0.209	S	C	*	.	H	α-helix	trans	-74.3	-38.8	176.7	-75	-79.5	0	0	0	111	E154 L155 F159 K160 D161	E154-F157 PolarHBondContact O-N 3.15Å; L155-F157 PolarHBondContact O-N 3.22Å; F157-F159 VanDerWaalsContact C-N 3.3Å; F157-F159 PolarHBondContact O-N 2.92Å; F157-K160 CarbonylContact O-C 3.53Å; F157-K160 WeakPolarHBondContact O-CA 3.13Å; F157-K160 VanDerWaalsContact O-CB 3.32Å; F157-K160 WeakPolarHBondContact O-CB 3.25Å; F157-K160 PolarHBondContact O-N 3.41Å; F157-D161 VanDerWaalsContact O-CG 3.26Å; F157-D161 PolarHBondContact O-N 2.94Å
158	Q	98.8	Very high	98.5	Very high	8 Å²	8	39 Å²	39	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-35.1	176.8	-68.3	172.6	-1.2	0	0	113.1	F75 D76 H77 P95 Y152 E154 L155 D161 A162	F75-Q158 PolarHBondContact O-NE2 3.12Å; D76-Q158 PolarHBondContact OD1-NE2 3.18Å; H77-Q158 HydrophobicContact CB-CB 4.05Å; H77-Q158 HydrophobicContact CB-CG 4.47Å; P95-Q158 HydrophobicContact CG-CB 3.99Å; Y152-Q158 PolarHBondContact OH-OE1 2.87Å; E154-Q158 PolarHBondContact O-N 3.18Å; E154-Q158 VanDerWaalsContact O-N 3.15Å; L155-Q158 PolarHBondContact O-N 3Å; Q158-D161 PolarHBondContact O-N 2.99Å; Q158-A162 VanDerWaalsContact O-CB 3.3Å; Q158-A162 WeakPolarHBondContact O-CB 3.45Å; Q158-A162 PolarHBondContact O-N 3.06Å
159	F	98.8	Very high	98.5	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-44.8	171.3	-98.6	-91.8	0	0	0	111.2	P95 A113 F148 L155 F157 G163 L164 I166 I220 V221	P95-F159 HydrophobicContact CB-CD2 4.31Å; P95-F159 HydrophobicContact CB-CG 4.28Å; P95-F159 HydrophobicContact CG-CB 4.33Å; P95-F159 HydrophobicContact CG-CD1 4.47Å; P95-F159 HydrophobicContact CG-CD2 3.39Å; P95-F159 HydrophobicContact CG-CE2 3.72Å; P95-F159 HydrophobicContact CG-CG 3.81Å; P95-F159 HydrophobicContact CG-CZ 4.4Å; A113-F159 HydrophobicContact CB-CE1 3.84Å; A113-F159 HydrophobicContact CB-CE2 4.18Å; A113-F159 HydrophobicContact CB-CZ 3.4Å; A113-F159 VanDerWaalsContact CB-CZ 3.4Å; F148-F159 HydrophobicContact CE1-CE2 4.48Å; F148-F159 HydrophobicContact CZ-CE2 4.45Å; L155-F159 HydrophobicContact CD1-CD2 3.89Å; L155-F159 HydrophobicContact CD1-CE2 3.82Å; L155-F159 HydrophobicContact CD2-CE2 4.44Å; L155-F159 HydrophobicContact CG-CD2 3.99Å; L155-F159 HydrophobicContact CG-CE2 4Å; L155-F159 WeakPolarHBondContact O-CD2 2.98Å; L155-F159 PolarHBondContact O-N 2.86Å; F157-F159 VanDerWaalsContact C-N 3.3Å; F157-F159 PolarHBondContact O-N 2.92Å; F159-G163 PolarHBondContact O-N 2.83Å; F159-G163 VanDerWaalsContact O-N 3.16Å; F159-L164 HydrophobicContact CD1-CB 3.82Å; F159-L164 HydrophobicContact CE1-CB 4.35Å; F159-L164 PolarHBondContact O-N 2.79Å; F159-I166 HydrophobicContact CB-CG2 4.33Å; F159-I166 HydrophobicContact CD1-CG2 3.71Å; F159-I166 HydrophobicContact CD2-CG2 4.4Å; F159-I166 HydrophobicContact CE1-CG2 4.05Å; F159-I166 HydrophobicContact CG-CG2 3.9Å; F159-I220 HydrophobicContact CD2-CG2 3.86Å; F159-I220 HydrophobicContact CE2-CG2 3.36Å; F159-I220 HydrophobicContact CZ-CG2 4.03Å; F159-V221 HydrophobicContact CE1-CG2 3.97Å; F159-V221 HydrophobicContact CE2-CG2 4.29Å; F159-V221 HydrophobicContact CZ-CG2 3.49Å; F159-V221 VanDerWaalsContact CZ-CG2 3.49Å
160	K	98.2	Very high	98.4	Very high	153 Å²	153	38.9 Å²	38.9	67%	0.665	22%	0.215	S	C	*	.	H	α-helix	trans	-64.1	-43.6	176.7	179.2	-173.2	175	-172.9	0	112.2	F157 A162 G163	F157-K160 CarbonylContact O-C 3.53Å; F157-K160 WeakPolarHBondContact O-CA 3.13Å; F157-K160 VanDerWaalsContact O-CB 3.32Å; F157-K160 WeakPolarHBondContact O-CB 3.25Å; F157-K160 PolarHBondContact O-N 3.41Å; K160-A162 VanDerWaalsContact C-N 3.35Å; K160-G163 WeakPolarHBondContact O-CA 3.48Å; K160-G163 PolarHBondContact O-N 3.2Å
161	D	98.4	Very high	98.4	Very high	86 Å²	86	39 Å²	39	46%	0.46	22%	0.215	S	C	.	.	H	α-helix	trans	-69.5	-34.3	-178.7	-62.5	-26.3	0	0	0	111.6	F157 Q158 G163	F157-D161 VanDerWaalsContact O-CG 3.26Å; F157-D161 PolarHBondContact O-N 2.94Å; Q158-D161 PolarHBondContact O-N 2.99Å; D161-G163 PolarHBondContact O-N 2.9Å
162	A	98.4	Very high	98.4	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.5	167.5	0	0	0	0	0	113.7	H77 P95 K97 Q158 K160 L164	H77-A162 HydrophobicContact CB-CB 4.31Å; P95-A162 HydrophobicContact CB-CB 3.66Å; K97-A162 WeakPolarHBondContact CA-O 3.36Å; K97-A162 HydrophobicContact CB-CB 4.28Å; K97-A162 WeakPolarHBondContact CB-O 3.36Å; K97-A162 VanDerWaalsContact CG-O 3.23Å; K97-A162 WeakPolarHBondContact CG-O 3.48Å; Q158-A162 VanDerWaalsContact O-CB 3.3Å; Q158-A162 WeakPolarHBondContact O-CB 3.45Å; Q158-A162 PolarHBondContact O-N 3.06Å; K160-A162 VanDerWaalsContact C-N 3.35Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 HydrophobicContact CB-CD1 4.36Å; A162-L164 HydrophobicContact CB-CG 4.04Å
163	G	98.1	Very high	98.4	Very high	62 Å²	62	39.7 Å²	39.7	64%	0.639	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	23.4	-174.7	0	0	0	0	0	114	F159 K160 D161	F159-G163 PolarHBondContact O-N 2.83Å; F159-G163 VanDerWaalsContact O-N 3.16Å; K160-G163 WeakPolarHBondContact O-CA 3.48Å; K160-G163 PolarHBondContact O-N 3.2Å; D161-G163 PolarHBondContact O-N 2.9Å
164	L	98.5	Very high	98.3	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.094	21%	0.208	C	C	.	.			trans	-97.6	125.2	178.5	-61.2	-175.6	0	0	0	110.8	P95 A113 Q115 F159 A162	P95-L164 HydrophobicContact CB-CD1 4.19Å; A113-L164 HydrophobicContact CB-CD1 4.49Å; Q115-L164 HydrophobicContact CB-CD2 3.95Å; F159-L164 HydrophobicContact CD1-CB 3.82Å; F159-L164 HydrophobicContact CE1-CB 4.35Å; F159-L164 PolarHBondContact O-N 2.79Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 HydrophobicContact CB-CD1 4.36Å; A162-L164 HydrophobicContact CB-CG 4.04Å
165	S	98.3	Very high	98.3	Very high	23 Å²	23	37.2 Å²	37.2	16%	0.161	21%	0.207	C	C	.	.			trans	-76.5	131.6	166.7	174.9	0	0	0	0	110.3	F167 N168 E269	S165-F167 PolarHBondContact O-N 3.06Å; S165-F167 PolarHBondContact OG-N 2.89Å; S165-N168 PolarHBondContact O-N 2.84Å; S165-E269 WeakPolarHBondContact CB-OE2 3.3Å; S165-E269 WeakPolarHBondContact OG-CB 3.3Å; S165-E269 PolarHBondContact OG-OE2 2.97Å
166	I	98.6	Very high	98.3	Very high	20 Å²	20	38.3 Å²	38.3	10%	0.103	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.8	170.3	61.3	169.2	0	0	0	113.1	F159 I220 P222 I247	F159-I166 HydrophobicContact CB-CG2 4.33Å; F159-I166 HydrophobicContact CD1-CG2 3.71Å; F159-I166 HydrophobicContact CD2-CG2 4.4Å; F159-I166 HydrophobicContact CE1-CG2 4.05Å; F159-I166 HydrophobicContact CG-CG2 3.9Å; I166-I220 WeakPolarHBondContact CD1-O 3.26Å; I166-I220 HydrophobicContact CG2-CG1 4.3Å; I166-P222 WeakPolarHBondContact O-CD 3.3Å; I166-I247 HydrophobicContact CD1-CG2 4.36Å
167	F	98.6	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.4	178.8	-60.5	-75.4	0	0	0	112.8	S165 N169 P222 I247 A250 T267 K268 E269 I298 L300	S165-F167 PolarHBondContact O-N 3.06Å; S165-F167 PolarHBondContact OG-N 2.89Å; F167-N169 PolarHBondContact O-N 3.03Å; F167-P222 HydrophobicContact CD1-CG 4.34Å; F167-P222 HydrophobicContact CE1-CG 4.09Å; F167-I247 HydrophobicContact CE2-CG1 4.24Å; F167-I247 HydrophobicContact CE2-CG2 4.13Å; F167-I247 HydrophobicContact CZ-CG2 4.21Å; F167-A250 HydrophobicContact CE1-CB 3.9Å; F167-A250 HydrophobicContact CZ-CB 3.81Å; F167-T267 WeakPolarHBondContact CA-OG1 3.24Å; F167-T267 HydrophobicContact CD1-CG2 4.21Å; F167-T267 CarbonylContact O-C 3.56Å; F167-T267 WeakPolarHBondContact O-CB 3.31Å; F167-T267 PolarHBondContact O-OG1 2.85Å; F167-K268 WeakPolarHBondContact O-CA 3.21Å; F167-K268 PolarHBondContact O-N 3.24Å; F167-E269 HydrophobicContact CB-CB 4.09Å; F167-I298 HydrophobicContact CB-CG2 4.4Å; F167-I298 HydrophobicContact CD1-CG2 3.77Å; F167-I298 HydrophobicContact CD2-CD1 3.86Å; F167-I298 HydrophobicContact CD2-CG1 4.25Å; F167-I298 HydrophobicContact CD2-CG2 4.06Å; F167-I298 HydrophobicContact CE1-CG2 4Å; F167-I298 HydrophobicContact CE2-CD1 3.59Å; F167-I298 HydrophobicContact CE2-CG1 4.45Å; F167-I298 HydrophobicContact CE2-CG2 4.3Å; F167-I298 HydrophobicContact CG-CG2 3.8Å; F167-I298 HydrophobicContact CZ-CD1 4.16Å; F167-I298 HydrophobicContact CZ-CG2 4.26Å; F167-L300 HydrophobicContact CD1-CD2 4.43Å; F167-L300 HydrophobicContact CE1-CD2 4.46Å
168	N	98.3	Very high	98.1	Very high	30 Å²	30	37.4 Å²	37.4	16%	0.16	20%	0.204	C	C	.	.			trans	-98.7	85.7	176.3	-75.2	-30.1	0	0	0	109.8	A132 S165 K268 E269	A132-N168 WeakPolarHBondContact CA-O 3.4Å; S165-N168 PolarHBondContact O-N 2.84Å; N168-K268 WeakPolarHBondContact OD1-CA 3.3Å; N168-K268 WeakPolarHBondContact OD1-CG 3.31Å; N168-E269 PolarHBondContact ND2-O 2.84Å; N168-E269 PolarHBondContact OD1-N 3.2Å; N168-E269 PolarHBondContact OD1-O 3.38Å
169	N	98.4	Very high	97.9	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	23%	0.232	C	C	.	.			trans	-135.4	109.4	-178.9	-173.3	11.5	0	0	0	113.1	L129 C130 C131 F167 W171 V221	L129-N169 PolarHBondContact O-ND2 3.04Å; C130-N169 WeakPolarHBondContact CA-OD1 3.42Å; C131-N169 PolarHBondContact N-OD1 2.99Å; C131-N169 WeakPolarHBondContact O-CA 3.42Å; F167-N169 PolarHBondContact O-N 3.03Å; N169-W171 WeakPolarHBondContact OD1-CB 3.46Å; N169-W171 PolarHBondContact OD1-N 3.42Å; N169-W171 VanDerWaalsContact OD1-N 3.17Å; N169-V221 HydrophobicContact CB-CG1 4.43Å
170	T	97.1	Very high	97.6	Very high	28 Å²	28	45 Å²	45	17%	0.172	25%	0.253	C	S	.	.			trans	-108.8	29.5	179.4	57.4	0	0	0	0	113.4	C131 T133 P135 S172 N173	C131-T170 PolarHBondContact O-N 3.11Å; C131-T170 PolarHBondContact O-OG1 2.95Å; T133-T170 PolarHBondContact O-OG1 3.31Å; P135-T170 WeakPolarHBondContact CD-O 3.33Å; T170-S172 PolarHBondContact O-N 3.2Å; T170-N173 PolarHBondContact O-N 2.9Å; T170-N173 VanDerWaalsContact O-N 3.09Å
171	W	98.7	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-22.3	-171.9	68.2	-88.9	0	0	0	118.3	L129 F145 G146 C147 N169 I174 L188 S224	L129-W171 HydrophobicContact CB-CB 4.02Å; L129-W171 HydrophobicContact CD2-CB 4.45Å; L129-W171 HydrophobicContact CG-CB 4.21Å; L129-W171 VanDerWaalsContact O-CB 3.28Å; L129-W171 WeakPolarHBondContact O-CB 3.32Å; F145-W171 HydrophobicContact CB-CE3 4.09Å; F145-W171 HydrophobicContact CB-CZ3 4.32Å; F145-W171 WeakPolarHBondContact O-CZ3 3.31Å; G146-W171 VanDerWaalsContact CA-CZ3 3.45Å; C147-W171 HydrophobicContact CB-CD2 4.11Å; C147-W171 HydrophobicContact CB-CG 4.37Å; C147-W171 HydrophobicContact CB-CZ2 4.05Å; N169-W171 WeakPolarHBondContact OD1-CB 3.46Å; N169-W171 PolarHBondContact OD1-N 3.42Å; N169-W171 VanDerWaalsContact OD1-N 3.17Å; W171-I174 VanDerWaalsContact O-CD1 3.31Å; W171-I174 WeakPolarHBondContact O-CD1 3.31Å; W171-L188 HydrophobicContact CH2-CD1 4.39Å; W171-L188 HydrophobicContact CH2-CD2 4.49Å; W171-L188 HydrophobicContact CZ3-CD2 3.89Å; W171-S224 VanDerWaalsContact CZ2-O 3.23Å; W171-S224 WeakPolarHBondContact CZ2-O 3.5Å; W171-S224 PolarHBondContact NE1-O 3.09Å; W171-S224 PolarHBondContact NE1-OG 3.17Å; W171-S224 VanDerWaalsContact NE1-OG 3.08Å
172	S	98.4	Very high	96.7	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.028	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-6.6	-174.7	51.5	0	0	0	0	114.8	T170 I174 G226 Q227	T170-S172 PolarHBondContact O-N 3.2Å; S172-I174 PolarHBondContact O-N 3.49Å; S172-G226 WeakPolarHBondContact OG-CA 3.04Å; S172-Q227 PolarHBondContact OG-N 2.83Å
173	N	97.4	Very high	96.3	Very high	70 Å²	70	50.3 Å²	50.3	37%	0.374	31%	0.313	S	S	.	.			trans	-92.8	80.1	177.8	179.7	7.1	0	0	0	109.4	Q134 P135 T170 Q227	Q134-N173 WeakPolarHBondContact CG-O 3.5Å; Q134-N173 PolarHBondContact NE2-OD1 3.26Å; P135-N173 WeakPolarHBondContact CD-O 3.33Å; T170-N173 PolarHBondContact O-N 2.9Å; T170-N173 VanDerWaalsContact O-N 3.09Å; N173-Q227 HydrophobicContact CB-CG 4.37Å
174	I	98.2	Very high	96.1	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.067	32%	0.32	C	S	.	.			trans	-87.7	132.7	-171.6	-41.9	-56.6	0	0	0	111.1	P135 I137 F145 W171 S172 W186	P135-I174 HydrophobicContact CB-CD1 3.8Å; P135-I174 HydrophobicContact CG-CD1 3.99Å; I137-I174 HydrophobicContact CG1-CG2 4.42Å; I137-I174 HydrophobicContact CG2-CG2 4.05Å; F145-I174 HydrophobicContact CB-CD1 4.39Å; F145-I174 HydrophobicContact CD1-CD1 3.76Å; F145-I174 HydrophobicContact CD2-CD1 3.53Å; F145-I174 HydrophobicContact CD2-CG1 3.67Å; F145-I174 HydrophobicContact CE1-CD1 3.79Å; F145-I174 HydrophobicContact CE2-CB 4.43Å; F145-I174 HydrophobicContact CE2-CD1 3.57Å; F145-I174 HydrophobicContact CE2-CG1 3.65Å; F145-I174 HydrophobicContact CE2-CG2 3.93Å; F145-I174 HydrophobicContact CG-CD1 3.63Å; F145-I174 HydrophobicContact CG-CG1 4.25Å; F145-I174 HydrophobicContact CZ-CD1 3.69Å; F145-I174 HydrophobicContact CZ-CG1 4.21Å; F145-I174 HydrophobicContact CZ-CG2 4.12Å; W171-I174 VanDerWaalsContact O-CD1 3.31Å; W171-I174 WeakPolarHBondContact O-CD1 3.31Å; S172-I174 PolarHBondContact O-N 3.49Å; I174-W186 HydrophobicContact CB-CD2 3.7Å; I174-W186 HydrophobicContact CB-CE3 4Å; I174-W186 HydrophobicContact CB-CG 4.16Å; I174-W186 HydrophobicContact CB-CH2 4.18Å; I174-W186 HydrophobicContact CB-CZ2 3.89Å; I174-W186 HydrophobicContact CB-CZ3 4.23Å; I174-W186 HydrophobicContact CG1-CD2 3.69Å; I174-W186 HydrophobicContact CG1-CE3 3.46Å; I174-W186 VanDerWaalsContact CG1-CE3 3.46Å; I174-W186 HydrophobicContact CG1-CG 4.34Å; I174-W186 HydrophobicContact CG1-CH2 4.05Å; I174-W186 HydrophobicContact CG1-CZ2 4.25Å; I174-W186 HydrophobicContact CG1-CZ3 3.65Å; I174-W186 HydrophobicContact CG2-CD2 4.18Å; I174-W186 HydrophobicContact CG2-CG 4.1Å
175	H	97.9	Very high	96.1	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.329	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.7	165.9	-170.2	72.3	0	0	0	110.5	Q134 P135 I136 I137 F177	Q134-H175 HydrophobicContact CG-CB 4.35Å; P135-H175 PolarHBondContact O-N 2.91Å; I136-H175 WeakPolarHBondContact CA-O 3.42Å; I136-H175 HydrophobicContact CG1-CB 4.26Å; I137-H175 PolarHBondContact N-O 2.67Å; H175-F177 AromaticContact CD2-CD2 3.94Å; H175-F177 AromaticContact CD2-CE1 3.86Å; H175-F177 AromaticContact CD2-CE2 3.78Å; H175-F177 AromaticContact CD2-CZ 3.73Å; H175-F177 AromaticContact NE2-CD1 3.63Å; H175-F177 AromaticContact NE2-CE1 3.49Å; H175-F177 WeakPolarHBondContact NE2-CE1 3.48Å; H175-F177 AromaticContact NE2-CZ 3.84Å
176	D	98.1	Very high	96.1	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.123	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.2	173.5	-177.8	-1.2	0	0	0	109	I137 T178 N185	I137-D176 HydrophobicContact CD1-CB 4.1Å; I137-D176 HydrophobicContact CG1-CB 3.79Å; D176-T178 VanDerWaalsContact C-N 3.25Å; D176-T178 PolarHBondContact O-N 3.3Å; D176-T178 VanDerWaalsContact OD1-C 3.27Å; D176-T178 WeakPolarHBondContact OD1-CA 3.47Å; D176-T178 PolarHBondContact OD1-N 2.97Å; D176-T178 PolarHBondContact OD1-OG1 2.78Å; D176-T178 VanDerWaalsContact OD1-OG1 3.07Å; D176-N185 WeakPolarHBondContact OD2-CB 3.42Å; D176-N185 PolarHBondContact OD2-ND2 3.18Å
177	F	97.3	Very high	96.1	Very high	116 Å²	116	57.6 Å²	57.6	51%	0.509	33%	0.334	S	S	.	.	S	Bend	trans	-75.4	-13.9	176.6	-83.6	-67.3	0	0	0	113.5	I136 I137 E138 H175 P179	I136-F177 HydrophobicContact CD1-CE2 4.24Å; I136-F177 HydrophobicContact CG1-CE2 4.33Å; I136-F177 HydrophobicContact CG2-CD2 3.6Å; I136-F177 HydrophobicContact CG2-CE2 3.51Å; I137-F177 PolarHBondContact O-N 3.03Å; E138-F177 HydrophobicContact CB-CB 4.23Å; E138-F177 HydrophobicContact CG-CB 4.29Å; H175-F177 AromaticContact CD2-CD2 3.94Å; H175-F177 AromaticContact CD2-CE1 3.86Å; H175-F177 AromaticContact CD2-CE2 3.78Å; H175-F177 AromaticContact CD2-CZ 3.73Å; H175-F177 AromaticContact NE2-CD1 3.63Å; H175-F177 AromaticContact NE2-CE1 3.49Å; H175-F177 WeakPolarHBondContact NE2-CE1 3.48Å; H175-F177 AromaticContact NE2-CZ 3.84Å; F177-P179 VanDerWaalsContact C-CD 3.44Å
178	T	96.2	Very high	96.1	Very high	46 Å²	46	59.7 Å²	59.7	28%	0.282	35%	0.345	S	S	.	.	S	Bend	trans	-133.4	50.4	-170.6	50.2	0	0	0	0	112.7	E138 S139 D176 V180 N185	E138-T178 HydrophobicContact CG-CG2 4.1Å; S139-T178 PolarHBondContact N-OG1 3.46Å; D176-T178 VanDerWaalsContact C-N 3.25Å; D176-T178 PolarHBondContact O-N 3.3Å; D176-T178 VanDerWaalsContact OD1-C 3.27Å; D176-T178 WeakPolarHBondContact OD1-CA 3.47Å; D176-T178 PolarHBondContact OD1-N 2.97Å; D176-T178 PolarHBondContact OD1-OG1 2.78Å; D176-T178 VanDerWaalsContact OD1-OG1 3.07Å; T178-V180 PolarHBondContact O-N 2.88Å; T178-N185 PolarHBondContact O-ND2 2.85Å
179	P	94.8	Very high	96.1	Very high	97 Å²	97	58.3 Å²	58.3	63%	0.63	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-65.4	136.4	-176.6	29.2	-35.6	0	0	0	111.3	F177	F177-P179 VanDerWaalsContact C-CD 3.44Å
180	V	91.6	Very high	96.1	Very high	75 Å²	75	61 Å²	61	46%	0.455	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-96.9	131.6	175.3	179.7	0	0	0	0	109.3	T178 G182 E183	T178-V180 PolarHBondContact O-N 2.88Å; V180-G182 PolarHBondContact O-N 2.92Å; V180-G182 VanDerWaalsContact O-N 3.17Å; V180-E183 HydrophobicContact CB-CB 4.45Å; V180-E183 HydrophobicContact CG1-CB 4.46Å; V180-E183 PolarHBondContact O-N 2.66Å
181	S	90.2	Very high	96	Very high	129 Å²	129	64.6 Å²	64.6	90%	0.902	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	118.6	-178.6	-174.3	0	0	0	0	111.6
182	G	87.6	Confident	95.9	Very high	83 Å²	83	71.1 Å²	71.1	86%	0.856	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-3.4	178.2	0	0	0	0	0	115.5	V180	V180-G182 PolarHBondContact O-N 2.92Å; V180-G182 VanDerWaalsContact O-N 3.17Å
183	E	90.2	Very high	95.9	Very high	141 Å²	141	71.8 Å²	71.8	66%	0.659	41%	0.412	S	S	*	.			trans	-126.6	152	177.1	-65.4	-172.9	178.3	0	0	110.9	V180	V180-E183 HydrophobicContact CB-CB 4.45Å; V180-E183 HydrophobicContact CG1-CB 4.46Å; V180-E183 PolarHBondContact O-N 2.66Å
184	L	93.7	Very high	96	Very high	148 Å²	148	72.3 Å²	72.3	78%	0.775	42%	0.417	S	S	*	.			trans	-108.5	116.6	171.9	-69.2	174.1	0	0	0	109	W186	L184-W186 WeakPolarHBondContact CB-O 3.36Å; L184-W186 PolarHBondContact O-N 3.34Å
185	N	98	Very high	96	Very high	15 Å²	15	71.8 Å²	71.8	8%	0.08	41%	0.414	C	S	.	.	S	Bend	trans	-65.4	-17.2	176	-74.3	-38.3	0	0	0	113	I137 S140 S141 N142 I143 D176 T178	I137-N185 HydrophobicContact CD1-CB 3.87Å; S140-N185 VanDerWaalsContact O-CB 3.3Å; S140-N185 WeakPolarHBondContact O-CB 3.48Å; S140-N185 VanDerWaalsContact O-CG 3.23Å; S140-N185 PolarHBondContact O-OD1 2.76Å; S141-N185 CarbonylContact C-O 3.57Å; N142-N185 WeakPolarHBondContact CA-O 3.33Å; N142-N185 PolarHBondContact N-O 2.98Å; I143-N185 PolarHBondContact N-O 2.98Å; D176-N185 WeakPolarHBondContact OD2-CB 3.42Å; D176-N185 PolarHBondContact OD2-ND2 3.18Å; T178-N185 PolarHBondContact O-ND2 2.85Å
186	W	98.4	Very high	96	Very high	63 Å²	63	72.3 Å²	72.3	24%	0.239	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	163.1	179.8	64.9	-87.4	0	0	0	113.1	I137 I143 F145 I174 L184 L188	I137-W186 HydrophobicContact CD1-CB 3.97Å; I137-W186 HydrophobicContact CD1-CG 4.19Å; I143-W186 HydrophobicContact CB-CB 4.26Å; I143-W186 CarbonylContact O-C 3.55Å; I143-W186 WeakPolarHBondContact O-CA 3.37Å; I143-W186 VanDerWaalsContact O-CB 3.23Å; I143-W186 WeakPolarHBondContact O-CB 3.36Å; F145-W186 HydrophobicContact CD2-CB 4.48Å; F145-W186 HydrophobicContact CE2-CB 4.08Å; I174-W186 HydrophobicContact CB-CD2 3.7Å; I174-W186 HydrophobicContact CB-CE3 4Å; I174-W186 HydrophobicContact CB-CG 4.16Å; I174-W186 HydrophobicContact CB-CH2 4.18Å; I174-W186 HydrophobicContact CB-CZ2 3.89Å; I174-W186 HydrophobicContact CB-CZ3 4.23Å; I174-W186 HydrophobicContact CG1-CD2 3.69Å; I174-W186 HydrophobicContact CG1-CE3 3.46Å; I174-W186 VanDerWaalsContact CG1-CE3 3.46Å; I174-W186 HydrophobicContact CG1-CG 4.34Å; I174-W186 HydrophobicContact CG1-CH2 4.05Å; I174-W186 HydrophobicContact CG1-CZ2 4.25Å; I174-W186 HydrophobicContact CG1-CZ3 3.65Å; I174-W186 HydrophobicContact CG2-CD2 4.18Å; I174-W186 HydrophobicContact CG2-CG 4.1Å; L184-W186 WeakPolarHBondContact CB-O 3.36Å; L184-W186 PolarHBondContact O-N 3.34Å; W186-L188 HydrophobicContact CE3-CD2 4.5Å; W186-L188 HydrophobicContact CZ3-CD2 3.97Å
187	S	98.5	Very high	96	Very high	49 Å²	49	76.7 Å²	76.7	34%	0.343	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	175.8	174.2	56.7	0	0	0	0	110.9	I143 K144 F145	I143-S187 PolarHBondContact O-N 3.07Å; K144-S187 VanDerWaalsContact CA-O 3.32Å; K144-S187 WeakPolarHBondContact CA-O 3.46Å; F145-S187 PolarHBondContact N-O 3.03Å
188	L	98.8	Very high	96.1	Very high	44 Å²	44	72.9 Å²	72.9	23%	0.23	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.7	170.1	-51.5	-176	0	0	0	109.4	F145 W171 W186 R228	F145-L188 HydrophobicContact CB-CD2 4.27Å; F145-L188 CarbonylContact O-C 3.48Å; F145-L188 WeakPolarHBondContact O-CA 3.41Å; W171-L188 HydrophobicContact CH2-CD1 4.39Å; W171-L188 HydrophobicContact CH2-CD2 4.49Å; W171-L188 HydrophobicContact CZ3-CD2 3.89Å; W186-L188 HydrophobicContact CE3-CD2 4.5Å; W186-L188 HydrophobicContact CZ3-CD2 3.97Å; L188-R228 HydrophobicContact CD1-CG 3.68Å
189	L	98.7	Very high	96.2	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-59.1	156.3	168.8	-74.5	171.7	0	0	0	110.4	E126 F128 K144 F145 Y198 R228	E126-L189 HydrophobicContact CB-CD2 4.3Å; E126-L189 HydrophobicContact CG-CD2 4.47Å; F128-L189 HydrophobicContact CD2-CD1 4.28Å; F128-L189 HydrophobicContact CE1-CD1 4.2Å; F128-L189 HydrophobicContact CE2-CD1 3.84Å; F128-L189 HydrophobicContact CZ-CD1 3.81Å; K144-L189 HydrophobicContact CB-CD2 3.63Å; K144-L189 HydrophobicContact CB-CG 3.83Å; K144-L189 HydrophobicContact CD-CD2 3.74Å; K144-L189 HydrophobicContact CG-CD2 4.38Å; F145-L189 PolarHBondContact O-N 3.04Å; L189-Y198 HydrophobicContact CD2-CE1 3.83Å; L189-R228 VanDerWaalsContact O-CZ 3.29Å; L189-R228 PolarHBondContact O-NH1 3.05Å; L189-R228 PolarHBondContact O-NH2 3.22Å
190	P	98.3	Very high	96.3	Very high	65 Å²	65	68.2 Å²	68.2	42%	0.422	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-50.4	146.1	169	-23.2	33.2	0	0	0	111.2	D192 A193	P190-D192 VanDerWaalsContact C-N 3.31Å; P190-D192 WeakPolarHBondContact CB-OD1 3.49Å; P190-A193 HydrophobicContact CB-CB 4.22Å; P190-A193 WeakPolarHBondContact O-CB 3.43Å; P190-A193 PolarHBondContact O-N 3Å
191	E	95.9	Very high	96.6	Very high	102 Å²	102	67.2 Å²	67.2	48%	0.477	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.1	-177.7	-172.7	157.1	-154.9	0	0	112.3	A193 R225 R228	E191-A193 VanDerWaalsContact C-N 3.33Å; E191-R225 WeakPolarHBondContact OE1-CD 3.23Å; E191-R225 WeakPolarHBondContact OE1-CG 3.32Å; E191-R225 IonicContact OE1-CZ 2.69Å; E191-R225 IonicContact OE1-NE 2.84Å; E191-R225 PolarHBondContact OE1-NE 3.13Å; E191-R225 IonicContact OE1-NH2 2.67Å; E191-R225 IonicContact OE2-CZ 2.71Å; E191-R225 IonicContact OE2-NE 3.42Å; E191-R225 PolarHBondContact OE2-NE 2.7Å; E191-R225 IonicContact OE2-NH2 3.71Å; E191-R225 PolarHBondContact OE2-NH2 3.49Å; E191-R228 VanDerWaalsContact CD-CD 3.46Å; E191-R228 WeakPolarHBondContact OE1-CD 3.45Å; E191-R228 IonicContact OE1-NE 3.77Å; E191-R228 WeakPolarHBondContact OE2-CD 3.29Å
192	D	96.4	Very high	96.9	Very high	138 Å²	138	61.5 Å²	61.5	74%	0.738	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	9.2	171.7	60.4	-25.9	0	0	0	113.6	P190 V194	P190-D192 VanDerWaalsContact C-N 3.31Å; P190-D192 WeakPolarHBondContact CB-OD1 3.49Å; D192-V194 PolarHBondContact O-N 2.87Å; D192-V194 VanDerWaalsContact O-N 3.14Å
193	A	98.1	Very high	97.2	Very high	18 Å²	18	62.8 Å²	62.8	15%	0.149	34%	0.337	C	S	.	.			trans	-63.1	113.6	-179.3	0	0	0	0	0	112	F128 P190 E191 V195 Y198	F128-A193 HydrophobicContact CZ-CB 4.35Å; P190-A193 HydrophobicContact CB-CB 4.22Å; P190-A193 WeakPolarHBondContact O-CB 3.43Å; P190-A193 PolarHBondContact O-N 3Å; E191-A193 VanDerWaalsContact C-N 3.33Å; A193-V195 PolarHBondContact O-N 2.88Å; A193-Y198 HydrophobicContact CB-CE2 3.92Å
194	V	98.3	Very high	97.4	Very high	82 Å²	82	57.8 Å²	57.8	50%	0.497	32%	0.316	S	S	.	.			trans	-72.4	115.6	175.9	179.7	0	0	0	0	109.5	D192 Q196 D197 Y198	D192-V194 PolarHBondContact O-N 2.87Å; D192-V194 VanDerWaalsContact O-N 3.14Å; V194-Q196 HydrophobicContact CG1-CB 4.49Å; V194-Q196 PolarHBondContact O-N 3.16Å; V194-Q196 VanDerWaalsContact O-N 3.08Å; V194-D197 WeakPolarHBondContact O-CB 3.34Å; V194-D197 PolarHBondContact O-N 3.19Å; V194-Y198 WeakPolarHBondContact O-CD2 3.45Å
195	V	98.4	Very high	97.3	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-50.2	-40	-175.8	179.7	0	0	0	0	112.8	F128 Q149 W150 A193 D197 Y198 V199 T214	F128-V195 HydrophobicContact CD1-CG2 4.22Å; F128-V195 HydrophobicContact CE1-CG2 3.96Å; F128-V195 HydrophobicContact CZ-CG2 4.35Å; Q149-V195 HydrophobicContact CB-CG2 3.77Å; Q149-V195 HydrophobicContact CG-CG2 3.83Å; W150-V195 HydrophobicContact CE3-CG1 3.99Å; W150-V195 HydrophobicContact CZ3-CG1 3.87Å; A193-V195 PolarHBondContact O-N 2.88Å; V195-D197 VanDerWaalsContact C-N 3.28Å; V195-D197 PolarHBondContact O-N 3.47Å; V195-Y198 PolarHBondContact O-N 2.53Å; V195-V199 PolarHBondContact O-N 3.03Å; V195-T214 HydrophobicContact CB-CG2 4.36Å; V195-T214 HydrophobicContact CG1-CG2 3.98Å
196	Q	98.1	Very high	97	Very high	83 Å²	83	63.1 Å²	63.1	39%	0.388	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-67.9	-21.2	-176.6	-64.8	-174.6	28	0	0	114.4	V194 Y198 I201 T214	V194-Q196 HydrophobicContact CG1-CB 4.49Å; V194-Q196 PolarHBondContact O-N 3.16Å; V194-Q196 VanDerWaalsContact O-N 3.08Å; Q196-Y198 PolarHBondContact O-N 3.1Å; Q196-I201 HydrophobicContact CG-CG1 4.47Å; Q196-T214 HydrophobicContact CG-CG2 4.13Å; Q196-T214 WeakPolarHBondContact CG-OG1 3.47Å; Q196-T214 PolarHBondContact NE2-OG1 3.35Å
197	D	98.4	Very high	96.9	Very high	115 Å²	115	60.5 Å²	60.5	62%	0.615	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-73.1	-12	173.7	-63.8	-17.7	0	0	0	112.2	K109 V194 V195	K109-D197 PolarHBondContact NZ-O 3.26Å; V194-D197 WeakPolarHBondContact O-CB 3.34Å; V194-D197 PolarHBondContact O-N 3.19Å; V195-D197 VanDerWaalsContact C-N 3.28Å; V195-D197 PolarHBondContact O-N 3.47Å
198	Y	98.7	Very high	96.6	Very high	36 Å²	36	63.3 Å²	63.3	14%	0.141	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-50.2	179.3	-62.5	-99.7	0	0	0	112.2	K109 E126 F128 L189 A193 V194 V195 Q196	K109-Y198 VanDerWaalsContact CB-O 3.25Å; K109-Y198 WeakPolarHBondContact CB-O 3.47Å; K109-Y198 HydrophobicContact CD-CD1 3.97Å; K109-Y198 HydrophobicContact CD-CG 4.32Å; K109-Y198 VanDerWaalsContact CD-O 3.26Å; K109-Y198 WeakPolarHBondContact CD-O 3.28Å; E126-Y198 HydrophobicContact CB-CD1 4.02Å; E126-Y198 HydrophobicContact CB-CE1 4.36Å; E126-Y198 WeakPolarHBondContact OE2-CD1 3.44Å; E126-Y198 WeakPolarHBondContact OE2-CE1 3.49Å; F128-Y198 HydrophobicContact CE2-CD1 4.47Å; F128-Y198 HydrophobicContact CE2-CD2 4.06Å; F128-Y198 AromaticContact CE2-CG 3.84Å; F128-Y198 HydrophobicContact CE2-CG 3.84Å; F128-Y198 HydrophobicContact CZ-CD2 4.01Å; F128-Y198 HydrophobicContact CZ-CG 4.25Å; L189-Y198 HydrophobicContact CD2-CE1 3.83Å; A193-Y198 HydrophobicContact CB-CE2 3.92Å; V194-Y198 WeakPolarHBondContact O-CD2 3.45Å; V195-Y198 PolarHBondContact O-N 2.53Å; Q196-Y198 PolarHBondContact O-N 3.1Å
199	V	98.7	Very high	96.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-129.2	83.6	-179.6	-171	0	0	0	0	108	Y73 I90 K109 T111 W150 V195	Y73-V199 HydrophobicContact CE1-CG1 4.49Å; I90-V199 HydrophobicContact CG2-CB 4.25Å; I90-V199 HydrophobicContact CG2-CG1 3.87Å; I90-V199 HydrophobicContact CG2-CG2 4.4Å; K109-V199 HydrophobicContact CB-CG2 4.45Å; T111-V199 WeakPolarHBondContact OG1-CG2 3.26Å; W150-V199 HydrophobicContact CH2-CB 4.39Å; W150-V199 HydrophobicContact CH2-CG1 3.68Å; W150-V199 HydrophobicContact CZ3-CB 4.01Å; W150-V199 HydrophobicContact CZ3-CG1 3.7Å; W150-V199 WeakPolarHBondContact CZ3-O 3.31Å; V195-V199 PolarHBondContact O-N 3.03Å
200	P	98.4	Very high	96.4	Very high	45 Å²	45	65 Å²	65	29%	0.292	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-59.8	161.4	176.1	24.5	-35.8	0	0	0	112.3	Y73 I90	Y73-P200 WeakPolarHBondContact CE1-O 3.42Å; Y73-P200 PolarHBondContact OH-O 2.87Å; Y73-P200 VanDerWaalsContact OH-O 3.12Å; I90-P200 HydrophobicContact CD1-CG 3.97Å
201	I	97.6	Very high	96.4	Very high	53 Å²	53	71.4 Å²	71.4	27%	0.272	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-77.7	135.7	173	-59.3	179.4	0	0	0	108.4	Q196 V212 T214	Q196-I201 HydrophobicContact CG-CG1 4.47Å; I201-V212 HydrophobicContact CD1-CB 4.32Å; I201-V212 HydrophobicContact CD1-CG1 3.89Å; I201-V212 HydrophobicContact CG1-CB 4.38Å; I201-V212 HydrophobicContact CG1-CG1 3.81Å; I201-V212 HydrophobicContact CG2-CB 3.95Å; I201-V212 HydrophobicContact CG2-CG1 4.28Å; I201-V212 HydrophobicContact CG2-CG2 4.5Å; I201-T214 HydrophobicContact CD1-CG2 4.29Å; I201-T214 HydrophobicContact CG1-CG2 4.16Å
202	P	95.7	Very high	96.5	Very high	10 Å²	10	67.7 Å²	67.7	7%	0.065	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-64.8	143.2	-178.3	24	-32.9	0	0	0	112.8	Y73 F75 L207	Y73-P202 HydrophobicContact CD1-CB 4.45Å; Y73-P202 HydrophobicContact CD1-CG 4.07Å; Y73-P202 HydrophobicContact CD2-CB 3.85Å; Y73-P202 HydrophobicContact CD2-CG 4.23Å; Y73-P202 HydrophobicContact CE1-CB 4.39Å; Y73-P202 HydrophobicContact CE1-CG 4.26Å; Y73-P202 HydrophobicContact CE2-CB 3.74Å; Y73-P202 HydrophobicContact CE2-CG 4.38Å; Y73-P202 HydrophobicContact CG-CB 4.22Å; Y73-P202 HydrophobicContact CG-CG 4.07Å; F75-P202 HydrophobicContact CE2-CG 3.85Å; F75-P202 HydrophobicContact CZ-CG 3.77Å; P202-L207 HydrophobicContact CB-CB 3.82Å; P202-L207 HydrophobicContact CB-CD1 3.74Å; P202-L207 HydrophobicContact CB-CG 4.45Å; P202-L207 HydrophobicContact CG-CB 3.83Å; P202-L207 HydrophobicContact CG-CD1 4.2Å
203	T	93.7	Very high	96.6	Very high	110 Å²	110	61.6 Å²	61.6	68%	0.675	32%	0.321	S	S	*	.			trans	-112.2	-3.6	-174.7	54.4	0	0	0	0	114.1	K208	T203-K208 WeakPolarHBondContact O-CE 3.48Å; T203-K208 PolarHBondContact O-NZ 3.49Å
204	T	94.9	Very high	96.6	Very high	36 Å²	36	61.1 Å²	61.1	22%	0.221	32%	0.315	C	S	.	.	S	Bend	trans	-68.6	141.9	174	50.5	0	0	0	0	111.4	T49 E206 L207 K208	T49-T204 HydrophobicContact CG2-CG2 3.69Å; T204-E206 WeakPolarHBondContact CB-OE2 3.47Å; T204-E206 PolarHBondContact O-N 3.31Å; T204-L207 PolarHBondContact O-N 3.33Å; T204-L207 WeakPolarHBondContact OG1-CB 3.26Å; T204-K208 WeakPolarHBondContact O-CG 3.28Å; T204-K208 PolarHBondContact O-N 3.3Å
205	E	91.6	Very high	96.6	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.8	-176.7	-66.2	-55.1	132	0	0	113	L207 K208	E205-L207 PolarHBondContact O-N 3.19Å; E205-K208 IonicContact OE1-NZ 3.16Å; E205-K208 PolarHBondContact OE1-NZ 3.15Å
206	E	92.4	Very high	96.4	Very high	136 Å²	136	64.6 Å²	64.6	64%	0.636	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-44.3	179.4	-60.5	72.5	-160.8	0	0	111.5	T204	T204-E206 WeakPolarHBondContact CB-OE2 3.47Å; T204-E206 PolarHBondContact O-N 3.31Å
207	L	95.4	Very high	96.3	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.042	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-89.4	-18.7	-174.8	-62.1	177.4	0	0	0	113.5	T49 L53 Y73 F75 P202 T204 E205 A209 V210	T49-L207 HydrophobicContact CG2-CD1 4.43Å; L53-L207 HydrophobicContact CD2-CD2 4.13Å; Y73-L207 HydrophobicContact CD2-CD1 3.73Å; Y73-L207 HydrophobicContact CG-CD1 4.22Å; F75-L207 HydrophobicContact CD2-CD2 4.31Å; F75-L207 HydrophobicContact CE2-CB 4.42Å; F75-L207 HydrophobicContact CE2-CD2 4.3Å; P202-L207 HydrophobicContact CB-CB 3.82Å; P202-L207 HydrophobicContact CB-CD1 3.74Å; P202-L207 HydrophobicContact CB-CG 4.45Å; P202-L207 HydrophobicContact CG-CB 3.83Å; P202-L207 HydrophobicContact CG-CD1 4.2Å; T204-L207 PolarHBondContact O-N 3.33Å; T204-L207 WeakPolarHBondContact OG1-CB 3.26Å; E205-L207 PolarHBondContact O-N 3.19Å; L207-A209 PolarHBondContact O-N 2.83Å; L207-V210 PolarHBondContact O-N 2.82Å
208	K	92.8	Very high	96.2	Very high	109 Å²	109	66.9 Å²	66.9	47%	0.474	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58	-17.6	174.1	-87.6	166.8	168.3	152	0	114.1	T203 T204 E205 V210	T203-K208 WeakPolarHBondContact O-CE 3.48Å; T203-K208 PolarHBondContact O-NZ 3.49Å; T204-K208 WeakPolarHBondContact O-CG 3.28Å; T204-K208 PolarHBondContact O-N 3.3Å; E205-K208 IonicContact OE1-NZ 3.16Å; E205-K208 PolarHBondContact OE1-NZ 3.15Å; K208-V210 PolarHBondContact O-N 3.32Å
209	A	95	Very high	96.2	Very high	71 Å²	71	65.3 Å²	65.3	59%	0.587	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-58.9	-32.1	171.4	0	0	0	0	0	112.6	L53 L207 R211	L53-A209 HydrophobicContact CD2-CB 4.48Å; L207-A209 PolarHBondContact O-N 2.83Å; A209-R211 PolarHBondContact O-N 2.86Å
210	V	97.4	Very high	96.2	Very high	10 Å²	10	66 Å²	66	6%	0.061	34%	0.339	C	S	.	.	S	Bend	trans	-83.8	114.9	-179.9	-173.7	0	0	0	0	110	L53 P54 F75 Y152 L207 K208 V212	L53-V210 HydrophobicContact CD2-CG2 3.65Å; P54-V210 HydrophobicContact CG-CG2 4.19Å; F75-V210 HydrophobicContact CB-CG1 4.22Å; F75-V210 HydrophobicContact CB-CG2 4.05Å; F75-V210 HydrophobicContact CD1-CG1 4.03Å; F75-V210 HydrophobicContact CD2-CB 3.91Å; F75-V210 HydrophobicContact CD2-CG1 4.06Å; F75-V210 HydrophobicContact CD2-CG2 3.59Å; F75-V210 HydrophobicContact CE1-CG1 4.39Å; F75-V210 HydrophobicContact CE2-CB 4.12Å; F75-V210 HydrophobicContact CE2-CG1 4.38Å; F75-V210 HydrophobicContact CE2-CG2 4.22Å; F75-V210 HydrophobicContact CG-CB 4.22Å; F75-V210 HydrophobicContact CG-CG1 3.86Å; F75-V210 HydrophobicContact CG-CG2 3.97Å; Y152-V210 HydrophobicContact CD1-CG1 4.15Å; Y152-V210 HydrophobicContact CD2-CG1 3.83Å; Y152-V210 HydrophobicContact CE2-CG1 4.5Å; Y152-V210 HydrophobicContact CG-CG1 3.62Å; L207-V210 PolarHBondContact O-N 2.82Å; K208-V210 PolarHBondContact O-N 3.32Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V210-V212 HydrophobicContact CG1-CG2 4.01Å; V210-V212 PolarHBondContact O-N 3.47Å
211	R	97.4	Very high	96.2	Very high	199 Å²	199	63.9 Å²	63.9	75%	0.751	33%	0.325	S	S	*	.			trans	-81.6	74.3	-174.9	-63.9	-177	-177.8	-178.5	1.1	111.9	P153 A209	P153-R211 HydrophobicContact CG-CB 4.46Å; A209-R211 PolarHBondContact O-N 2.86Å
212	V	98.5	Very high	96.2	Very high	23 Å²	23	61.9 Å²	61.9	14%	0.139	32%	0.316	C	S	.	.			trans	-68.5	144.8	-178.8	177.1	0	0	0	0	112.4	F75 W150 Y151 I201 V210 T214	F75-V212 HydrophobicContact CE1-CG2 3.85Å; F75-V212 HydrophobicContact CZ-CG2 3.86Å; W150-V212 HydrophobicContact CD2-CG1 4.25Å; W150-V212 VanDerWaalsContact CE2-CG1 3.48Å; W150-V212 HydrophobicContact CH2-CG1 4.4Å; W150-V212 HydrophobicContact CZ2-CG1 3.59Å; W150-V212 HydrophobicContact CZ2-CG2 4.33Å; Y151-V212 CarbonylContact O-C 3.54Å; Y151-V212 VanDerWaalsContact O-CA 3.24Å; Y151-V212 WeakPolarHBondContact O-CA 3.46Å; I201-V212 HydrophobicContact CD1-CB 4.32Å; I201-V212 HydrophobicContact CD1-CG1 3.89Å; I201-V212 HydrophobicContact CG1-CB 4.38Å; I201-V212 HydrophobicContact CG1-CG1 3.81Å; I201-V212 HydrophobicContact CG2-CB 3.95Å; I201-V212 HydrophobicContact CG2-CG1 4.28Å; I201-V212 HydrophobicContact CG2-CG2 4.5Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V210-V212 HydrophobicContact CG1-CG2 4.01Å; V210-V212 PolarHBondContact O-N 3.47Å; V212-T214 HydrophobicContact CG1-CG2 4.33Å
213	S	98.4	Very high	96.4	Very high	11 Å²	11	64.3 Å²	64.3	8%	0.077	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-138.3	138.8	159.7	-178.7	0	0	0	0	109.9	Y151	Y151-S213 PolarHBondContact N-O 2.63Å; Y151-S213 PolarHBondContact O-N 2.67Å
214	T	98.4	Very high	96.6	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.043	30%	0.297	C	S	.	.			trans	-108	15.1	177.7	58.3	0	0	0	0	112.2	Q149 W150 V195 Q196 I201 V212	Q149-T214 WeakPolarHBondContact CG-O 3.36Å; Q149-T214 PolarHBondContact NE2-O 3.3Å; W150-T214 HydrophobicContact CD2-CG2 4.31Å; W150-T214 HydrophobicContact CE3-CG2 3.76Å; W150-T214 HydrophobicContact CH2-CG2 4.25Å; W150-T214 HydrophobicContact CZ3-CG2 3.73Å; V195-T214 HydrophobicContact CB-CG2 4.36Å; V195-T214 HydrophobicContact CG1-CG2 3.98Å; Q196-T214 HydrophobicContact CG-CG2 4.13Å; Q196-T214 WeakPolarHBondContact CG-OG1 3.47Å; Q196-T214 PolarHBondContact NE2-OG1 3.35Å; I201-T214 HydrophobicContact CD1-CG2 4.29Å; I201-T214 HydrophobicContact CG1-CG2 4.16Å; V212-T214 HydrophobicContact CG1-CG2 4.33Å
215	E	97.8	Very high	96.7	Very high	105 Å²	105	59.2 Å²	59.2	49%	0.491	29%	0.292	S	S	.	.			trans	-74.3	135.2	179.3	-60.7	-54.4	130.7	0	0	110.7	N217 R218 S219	E215-N217 VanDerWaalsContact C-N 3.32Å; E215-N217 WeakPolarHBondContact CB-OD1 3.32Å; E215-N217 PolarHBondContact O-N 2.92Å; E215-R218 HydrophobicContact CB-CB 4.24Å; E215-R218 HydrophobicContact CB-CG 4.2Å; E215-R218 PolarHBondContact O-N 2.81Å; E215-S219 PolarHBondContact O-N 3.04Å
216	A	96	Very high	97	Very high	51 Å²	51	53.2 Å²	53.2	42%	0.421	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-55.5	-45.1	-176.5	0	0	0	0	0	112.6	R218 S219 I223	A216-R218 PolarHBondContact O-N 2.8Å; A216-S219 WeakPolarHBondContact O-CB 3.33Å; A216-S219 PolarHBondContact O-N 3.3Å; A216-I223 HydrophobicContact CB-CG1 4.07Å
217	N	94.1	Very high	97.1	Very high	128 Å²	128	52.7 Å²	52.7	68%	0.684	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-71.6	-10.7	178.7	70	-21.1	0	0	0	114.5	E215	E215-N217 VanDerWaalsContact C-N 3.32Å; E215-N217 WeakPolarHBondContact CB-OD1 3.32Å; E215-N217 PolarHBondContact O-N 2.92Å
218	R	96.9	Very high	97.2	Very high	119 Å²	119	54.2 Å²	54.2	45%	0.449	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-100.8	-13.6	175.1	-65.5	-165.1	65	-167.5	-0.3	113.1	Y151 E215 A216 I220	Y151-R218 VanDerWaalsContact CB-O 3.31Å; Y151-R218 WeakPolarHBondContact CB-O 3.37Å; Y151-R218 VanDerWaalsContact CD2-O 3.26Å; Y151-R218 WeakPolarHBondContact CD2-O 3.46Å; E215-R218 HydrophobicContact CB-CB 4.24Å; E215-R218 HydrophobicContact CB-CG 4.2Å; E215-R218 PolarHBondContact O-N 2.81Å; A216-R218 PolarHBondContact O-N 2.8Å; R218-I220 PolarHBondContact O-N 3.36Å
219	S	98.6	Very high	97.2	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.014	29%	0.288	C	S	.	.			trans	-53.2	137.2	-176.3	-175.5	0	0	0	0	112.5	F148 Q149 W150 E215 A216 V221 R251	F148-S219 PolarHBondContact O-OG 2.97Å; Q149-S219 WeakPolarHBondContact CA-OG 3.39Å; W150-S219 PolarHBondContact N-OG 2.79Å; W150-S219 WeakPolarHBondContact O-CA 3.45Å; E215-S219 PolarHBondContact O-N 3.04Å; A216-S219 WeakPolarHBondContact O-CB 3.33Å; A216-S219 PolarHBondContact O-N 3.3Å; S219-V221 VanDerWaalsContact C-N 3.29Å; S219-V221 VanDerWaalsContact CB-O 3.28Å; S219-V221 WeakPolarHBondContact CB-O 3.33Å; S219-V221 PolarHBondContact OG-N 2.93Å; S219-V221 PolarHBondContact OG-O 3.45Å; S219-R251 PolarHBondContact O-NH1 3.3Å
220	I	98.3	Very high	97	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.072	28%	0.278	C	S	.	.	S	Bend	trans	-70.8	-28.8	174.9	-155.6	68.8	0	0	0	111.7	F148 W150 L155 A156 F159 I166 R218 R251	F148-I220 HydrophobicContact CE1-CG2 3.93Å; W150-I220 PolarHBondContact O-N 3.26Å; L155-I220 HydrophobicContact CD2-CB 4.04Å; L155-I220 HydrophobicContact CD2-CG2 3.5Å; L155-I220 HydrophobicContact CG-CB 4.36Å; L155-I220 HydrophobicContact CG-CG2 3.85Å; A156-I220 HydrophobicContact CB-CD1 3.69Å; A156-I220 HydrophobicContact CB-CG1 4.38Å; F159-I220 HydrophobicContact CD2-CG2 3.86Å; F159-I220 HydrophobicContact CE2-CG2 3.36Å; F159-I220 HydrophobicContact CZ-CG2 4.03Å; I166-I220 WeakPolarHBondContact CD1-O 3.26Å; I166-I220 HydrophobicContact CG2-CG1 4.3Å; R218-I220 PolarHBondContact O-N 3.36Å; I220-R251 PolarHBondContact O-NH2 2.93Å
221	V	98.8	Very high	96.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	31%	0.306	C	S	.	.	S	Bend	trans	-96.4	124.1	172	-179.5	0	0	0	0	107.4	C130 F148 F159 N169 S219 I223	C130-V221 HydrophobicContact CB-CG2 4.05Å; F148-V221 HydrophobicContact CB-CB 4.23Å; F148-V221 HydrophobicContact CB-CG1 4.48Å; F148-V221 HydrophobicContact CB-CG2 4.23Å; F148-V221 HydrophobicContact CD1-CB 3.84Å; F148-V221 HydrophobicContact CD1-CG2 3.54Å; F148-V221 HydrophobicContact CE1-CG2 4.13Å; F148-V221 HydrophobicContact CG-CB 4.41Å; F148-V221 HydrophobicContact CG-CG2 4.06Å; F159-V221 HydrophobicContact CE1-CG2 3.97Å; F159-V221 HydrophobicContact CE2-CG2 4.29Å; F159-V221 HydrophobicContact CZ-CG2 3.49Å; F159-V221 VanDerWaalsContact CZ-CG2 3.49Å; N169-V221 HydrophobicContact CB-CG1 4.43Å; S219-V221 VanDerWaalsContact C-N 3.29Å; S219-V221 VanDerWaalsContact CB-O 3.28Å; S219-V221 WeakPolarHBondContact CB-O 3.33Å; S219-V221 PolarHBondContact OG-N 2.93Å; S219-V221 PolarHBondContact OG-O 3.45Å; V221-I223 PolarHBondContact O-N 2.97Å
222	P	98.5	Very high	96.4	Very high	12 Å²	12	53.4 Å²	53.4	8%	0.078	27%	0.274	C	S	.	.			trans	-56.5	132.9	174	-24.3	34.7	0	0	0	111.2	I166 F167 S224 I254 L264	I166-P222 WeakPolarHBondContact O-CD 3.3Å; F167-P222 HydrophobicContact CD1-CG 4.34Å; F167-P222 HydrophobicContact CE1-CG 4.09Å; P222-S224 PolarHBondContact O-N 2.85Å; P222-S224 VanDerWaalsContact O-N 3.13Å; P222-I254 HydrophobicContact CB-CD1 3.95Å; P222-I254 HydrophobicContact CG-CD1 4.04Å; P222-L264 HydrophobicContact CB-CD2 3.66Å
223	I	98.4	Very high	96.2	Very high	61 Å²	61	58.4 Å²	58.4	31%	0.313	30%	0.299	S	S	.	.			trans	-72.6	109.7	-178.5	-51.1	-52.3	0	0	0	108.8	C147 F148 Q149 A216 V221	C147-I223 HydrophobicContact CB-CG2 4.4Å; F148-I223 VanDerWaalsContact O-CD1 3.29Å; F148-I223 WeakPolarHBondContact O-CD1 3.34Å; Q149-I223 HydrophobicContact CB-CD1 3.68Å; Q149-I223 HydrophobicContact CG-CD1 3.88Å; A216-I223 HydrophobicContact CB-CG1 4.07Å; V221-I223 PolarHBondContact O-N 2.97Å
224	S	98.4	Very high	96.2	Very high	4 Å²	4	58.6 Å²	58.6	3%	0.028	30%	0.299	C	S	.	.			trans	-108.7	142.6	-177.5	71	0	0	0	0	111.2	W171 P222 L264 V265	W171-S224 VanDerWaalsContact CZ2-O 3.23Å; W171-S224 WeakPolarHBondContact CZ2-O 3.5Å; W171-S224 PolarHBondContact NE1-O 3.09Å; W171-S224 PolarHBondContact NE1-OG 3.17Å; W171-S224 VanDerWaalsContact NE1-OG 3.08Å; P222-S224 PolarHBondContact O-N 2.85Å; P222-S224 VanDerWaalsContact O-N 3.13Å; S224-L264 WeakPolarHBondContact CA-O 2.96Å; S224-V265 WeakPolarHBondContact CB-O 3.41Å
225	R	98.2	Very high	96.1	Very high	35 Å²	35	58.7 Å²	58.7	13%	0.132	30%	0.3	C	S	.	.			trans	-77.1	-24.1	179.2	-62.1	-165.8	79	-142.2	-0.7	113.1	E191 Q227 R228 Q229 F263 L264 V265	E191-R225 WeakPolarHBondContact OE1-CD 3.23Å; E191-R225 WeakPolarHBondContact OE1-CG 3.32Å; E191-R225 IonicContact OE1-CZ 2.69Å; E191-R225 IonicContact OE1-NE 2.84Å; E191-R225 PolarHBondContact OE1-NE 3.13Å; E191-R225 IonicContact OE1-NH2 2.67Å; E191-R225 IonicContact OE2-CZ 2.71Å; E191-R225 IonicContact OE2-NE 3.42Å; E191-R225 PolarHBondContact OE2-NE 2.7Å; E191-R225 IonicContact OE2-NH2 3.71Å; E191-R225 PolarHBondContact OE2-NH2 3.49Å; R225-Q227 PolarHBondContact O-N 3.02Å; R225-R228 HydrophobicContact CB-CB 4.32Å; R225-R228 WeakPolarHBondContact O-CB 2.96Å; R225-R228 WeakPolarHBondContact O-CG 3.31Å; R225-R228 PolarHBondContact O-N 2.82Å; R225-R228 VanDerWaalsContact O-N 3.1Å; R225-Q229 PolarHBondContact NH1-O 3.15Å; R225-Q229 PolarHBondContact NH2-O 3.15Å; R225-F263 HydrophobicContact CG-CB 4.33Å; R225-L264 PolarHBondContact N-O 3.34Å; R225-V265 PolarHBondContact N-O 3.16Å
226	G	96.4	Very high	96.2	Very high	11 Å²	11	53.7 Å²	53.7	11%	0.113	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	-124.7	-178.6	0	0	0	0	0	112.5	S172 R228 V265	S172-G226 WeakPolarHBondContact OG-CA 3.04Å; G226-R228 VanDerWaalsContact C-N 3.28Å; G226-R228 PolarHBondContact O-N 2.72Å; G226-V265 WeakPolarHBondContact CA-O 3.23Å; G226-V265 PolarHBondContact N-O 2.95Å
227	Q	95.8	Very high	96.3	Very high	125 Å²	125	51.3 Å²	51.3	58%	0.584	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	14.8	-179.2	-60.8	-63.5	-30.3	0	0	114.3	S172 N173 R225	S172-Q227 PolarHBondContact OG-N 2.83Å; N173-Q227 HydrophobicContact CB-CG 4.37Å; R225-Q227 PolarHBondContact O-N 3.02Å
228	R	97.1	Very high	96.5	Very high	41 Å²	41	45.2 Å²	45.2	16%	0.155	22%	0.224	C	C	.	.	S	Bend	trans	-63.7	154.6	169.7	-71.3	-178.6	-172.6	-72.7	2	110.8	L188 L189 E191 R225 G226 K230	L188-R228 HydrophobicContact CD1-CG 3.68Å; L189-R228 VanDerWaalsContact O-CZ 3.29Å; L189-R228 PolarHBondContact O-NH1 3.05Å; L189-R228 PolarHBondContact O-NH2 3.22Å; E191-R228 VanDerWaalsContact CD-CD 3.46Å; E191-R228 WeakPolarHBondContact OE1-CD 3.45Å; E191-R228 IonicContact OE1-NE 3.77Å; E191-R228 WeakPolarHBondContact OE2-CD 3.29Å; R225-R228 HydrophobicContact CB-CB 4.32Å; R225-R228 WeakPolarHBondContact O-CB 2.96Å; R225-R228 WeakPolarHBondContact O-CG 3.31Å; R225-R228 PolarHBondContact O-N 2.82Å; R225-R228 VanDerWaalsContact O-N 3.1Å; G226-R228 VanDerWaalsContact C-N 3.28Å; G226-R228 PolarHBondContact O-N 2.72Å; R228-K230 PolarHBondContact O-N 2.94Å
229	Q	93.1	Very high	96.6	Very high	180 Å²	180	39.5 Å²	39.5	84%	0.841	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-60.7	121.7	177.3	-69	-178	-10.6	0	0	111.1	R225	R225-Q229 PolarHBondContact NH1-O 3.15Å; R225-Q229 PolarHBondContact NH2-O 3.15Å
230	K	91.6	Very high	96.6	Very high	90 Å²	90	39.6 Å²	39.6	39%	0.391	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-72	141.7	172.6	-67.5	-177.6	171.2	-170.7	0	109.7	R228 S235 E301 N303	R228-K230 PolarHBondContact O-N 2.94Å; K230-S235 PolarHBondContact NZ-OG 3.11Å; K230-E301 IonicContact NZ-OE1 2.7Å; K230-E301 PolarHBondContact NZ-OE1 3.37Å; K230-N303 WeakPolarHBondContact CB-OD1 3.44Å
231	S	85.9	Confident	96.6	Very high	91 Å²	91	39.6 Å²	39.6	64%	0.636	20%	0.202	S	C	*	.	S	Bend	trans	-93.7	-14.3	177	55.9	0	0	0	0	113.4	F263	S231-F263 WeakPolarHBondContact OG-CE2 3.36Å
232	S	95.3	Very high	96.5	Very high	11 Å²	11	40.5 Å²	40.5	8%	0.077	21%	0.21	C	C	.	.			trans	-130.4	152.4	176	174.8	0	0	0	0	109.5	E234 N303 D305	S232-E234 PolarHBondContact OG-N 3.03Å; S232-N303 PolarHBondContact O-ND2 2.71Å; S232-D305 VanDerWaalsContact CB-OD1 3.29Å; S232-D305 WeakPolarHBondContact CB-OD1 3.46Å; S232-D305 PolarHBondContact OG-N 2.86Å; S232-D305 PolarHBondContact OG-OD1 3.27Å
233	D	94.4	Very high	96.4	Very high	127 Å²	127	42.2 Å²	42.2	68%	0.679	23%	0.23	S	C	*	.	S	Bend	trans	-80.4	-17.4	169.9	65.6	-27.8	0	0	0	112.6	S235 K330	D233-S235 PolarHBondContact O-N 3.34Å; D233-K330 VanDerWaalsContact OD1-CE 3.26Å; D233-K330 WeakPolarHBondContact OD1-CE 3.23Å; D233-K330 IonicContact OD1-NZ 2.87Å; D233-K330 PolarHBondContact OD1-NZ 3.02Å; D233-K330 IonicContact OD2-NZ 2.69Å
234	E	97.6	Very high	96.1	Very high	15 Å²	15	47 Å²	47	7%	0.07	26%	0.256	C	S	.	.			trans	-74	127.3	179.5	-174.6	169.8	161.7	0	0	111.6	S232 N303 G304 G306 A307 V308 K330	S232-E234 PolarHBondContact OG-N 3.03Å; E234-N303 WeakPolarHBondContact O-CA 3.46Å; E234-N303 PolarHBondContact O-ND2 3.37Å; E234-G304 WeakPolarHBondContact CB-O 3.36Å; E234-G304 PolarHBondContact O-N 2.68Å; E234-G306 VanDerWaalsContact CD-N 3.28Å; E234-G306 VanDerWaalsContact OE1-C 3.25Å; E234-G306 WeakPolarHBondContact OE1-CA 3.17Å; E234-G306 PolarHBondContact OE1-N 3.09Å; E234-G306 PolarHBondContact OE2-N 3.28Å; E234-A307 HydrophobicContact CG-CB 4.45Å; E234-A307 PolarHBondContact OE1-N 3.38Å; E234-V308 HydrophobicContact CG-CG2 4.36Å; E234-V308 PolarHBondContact OE1-N 3.07Å; E234-K330 HydrophobicContact CB-CD 3.99Å; E234-K330 HydrophobicContact CB-CG 4.17Å; E234-K330 HydrophobicContact CG-CB 4.25Å; E234-K330 HydrophobicContact CG-CD 4.05Å; E234-K330 HydrophobicContact CG-CG 3.9Å; E234-K330 IonicContact OE2-NZ 3.92Å
235	S	97.4	Very high	96	Very high	10 Å²	10	54.9 Å²	54.9	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	160.3	171.3	-53.6	0	0	0	0	109.3	K230 D233 F302 V308 A333	K230-S235 PolarHBondContact NZ-OG 3.11Å; D233-S235 PolarHBondContact O-N 3.34Å; S235-F302 CarbonylContact C-O 3.54Å; S235-F302 WeakPolarHBondContact CA-O 3.15Å; S235-V308 WeakPolarHBondContact O-CG2 3.4Å; S235-A333 WeakPolarHBondContact O-CB 3.47Å
236	C	98.6	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.9	173.8	-179.6	0	0	0	0	109.1	E301 F302 A307 V308	C236-E301 WeakPolarHBondContact O-CA 3.45Å; C236-F302 HydrophobicContact CB-CB 4.4Å; C236-F302 PolarHBondContact N-O 2.73Å; C236-F302 PolarHBondContact O-N 2.87Å; C236-A307 HydrophobicContact CB-CB 4.24Å; C236-V308 HydrophobicContact CB-CG2 3.87Å
237	L	98.7	Very high	96	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.9	170.8	-178.6	66.5	0	0	0	109.8	V239 V280 A299 F325 V326 S327 D336 V337 F340	L237-V239 HydrophobicContact CD1-CG2 4.21Å; L237-V239 HydrophobicContact CD2-CG2 3.97Å; L237-V239 HydrophobicContact CG-CG2 3.97Å; L237-V280 HydrophobicContact CD2-CG1 3.69Å; L237-A299 HydrophobicContact CD1-CB 4.18Å; L237-F325 HydrophobicContact CB-CE1 4.35Å; L237-F325 HydrophobicContact CD2-CD1 4.4Å; L237-F325 HydrophobicContact CD2-CE1 4.04Å; L237-F325 HydrophobicContact CG-CD1 4.47Å; L237-F325 HydrophobicContact CG-CE1 4.29Å; L237-V326 CarbonylContact O-C 3.58Å; L237-V326 WeakPolarHBondContact O-CA 3.33Å; L237-S327 PolarHBondContact N-OG 3.01Å; L237-S327 PolarHBondContact O-N 2.86Å; L237-D336 HydrophobicContact CB-CB 4.14Å; L237-D336 HydrophobicContact CD2-CB 3.93Å; L237-V337 HydrophobicContact CB-CG2 3.94Å; L237-F340 HydrophobicContact CD1-CB 4.45Å; L237-F340 HydrophobicContact CD1-CG 4.38Å; L237-F340 HydrophobicContact CD2-CB 3.85Å; L237-F340 HydrophobicContact CD2-CD2 4.25Å; L237-F340 HydrophobicContact CD2-CG 4.26Å
238	V	98.7	Very high	96	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.8	164.9	-174.6	0	0	0	0	108.6	L240 L253 A299 L300 F302 C311 M324 F325 V326	V238-L240 HydrophobicContact CG1-CD1 4Å; V238-L240 HydrophobicContact CG1-CG 4.47Å; V238-L253 HydrophobicContact CB-CD2 4.34Å; V238-L253 HydrophobicContact CG1-CD2 3.75Å; V238-L253 HydrophobicContact CG2-CD2 4.1Å; V238-A299 CarbonylContact O-C 3.55Å; V238-A299 VanDerWaalsContact O-CA 3.26Å; V238-A299 WeakPolarHBondContact O-CA 3.47Å; V238-L300 HydrophobicContact CB-CB 4.31Å; V238-L300 PolarHBondContact N-O 3Å; V238-L300 PolarHBondContact O-N 2.92Å; V238-F302 HydrophobicContact CG2-CD2 4.11Å; V238-F302 HydrophobicContact CG2-CE2 4.05Å; V238-C311 WeakPolarHBondContact CG2-SG 3.49Å; V238-M324 HydrophobicContact CG1-CE 4.13Å; V238-F325 CarbonylContact C-O 3.55Å; V238-F325 VanDerWaalsContact CA-O 3.26Å; V238-F325 WeakPolarHBondContact CA-O 3.45Å; V238-F325 WeakPolarHBondContact CG1-O 3.32Å; V238-V326 HydrophobicContact CG1-CG2 4.42Å; V238-V326 HydrophobicContact CG2-CG1 4.47Å; V238-V326 HydrophobicContact CG2-CG2 4.48Å
239	V	98.6	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120	170.5	-171.7	0	0	0	0	110.3	L237 F241 F281 V297 A299 F325 F340	L237-V239 HydrophobicContact CD1-CG2 4.21Å; L237-V239 HydrophobicContact CD2-CG2 3.97Å; L237-V239 HydrophobicContact CG-CG2 3.97Å; V239-F241 HydrophobicContact CG1-CZ 4.41Å; V239-F241 WeakPolarHBondContact O-CE2 3.29Å; V239-F281 HydrophobicContact CB-CE1 3.98Å; V239-F281 HydrophobicContact CB-CZ 4.02Å; V239-F281 HydrophobicContact CG1-CE1 4.46Å; V239-F281 HydrophobicContact CG1-CZ 4.03Å; V239-F281 HydrophobicContact CG2-CE1 3.83Å; V239-F281 HydrophobicContact CG2-CZ 4.21Å; V239-V297 HydrophobicContact CG1-CB 3.62Å; V239-V297 HydrophobicContact CG1-CG1 4.19Å; V239-V297 HydrophobicContact CG1-CG2 3.81Å; V239-A299 HydrophobicContact CG2-CB 4.22Å; V239-F325 HydrophobicContact CB-CB 4.13Å; V239-F325 HydrophobicContact CG2-CD1 4.26Å; V239-F325 PolarHBondContact N-O 2.83Å; V239-F325 PolarHBondContact O-N 2.74Å; V239-F340 HydrophobicContact CG1-CE2 4.43Å; V239-F340 HydrophobicContact CG2-CD2 4.04Å; V239-F340 HydrophobicContact CG2-CE2 3.98Å
240	L	98.6	Very high	96.3	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.5	175.9	-53.1	86.8	0	0	0	109.8	V238 T246 N249 A250 V297 I298 L300 M324	V238-L240 HydrophobicContact CG1-CD1 4Å; V238-L240 HydrophobicContact CG1-CG 4.47Å; L240-T246 HydrophobicContact CB-CG2 3.63Å; L240-T246 HydrophobicContact CD2-CG2 4.34Å; L240-N249 HydrophobicContact CD2-CB 4.02Å; L240-A250 HydrophobicContact CD1-CB 4.38Å; L240-A250 HydrophobicContact CD2-CB 3.94Å; L240-V297 CarbonylContact O-C 3.52Å; L240-V297 VanDerWaalsContact O-CA 3.26Å; L240-V297 WeakPolarHBondContact O-CA 3.26Å; L240-V297 WeakPolarHBondContact O-CB 3.41Å; L240-I298 HydrophobicContact CB-CB 4.45Å; L240-I298 HydrophobicContact CD1-CB 4.47Å; L240-I298 HydrophobicContact CD1-CG2 4.45Å; L240-I298 VanDerWaalsContact CD1-O 3.28Å; L240-I298 WeakPolarHBondContact CD1-O 3.5Å; L240-I298 PolarHBondContact N-O 2.92Å; L240-I298 PolarHBondContact O-N 2.95Å; L240-L300 HydrophobicContact CD1-CD1 3.83Å; L240-L300 HydrophobicContact CD1-CG 3.91Å; L240-M324 HydrophobicContact CD2-CE 3.75Å; L240-M324 HydrophobicContact CG-CE 3.81Å; L240-M324 HydrophobicContact CG-CG 4.43Å
241	F	98.3	Very high	96.6	Very high	14 Å²	14	44.3 Å²	44.3	6%	0.061	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-99.9	153.2	-178.6	-56	-86.2	0	0	0	111.5	V239 T246 F281 F288 L291 L292 V297	V239-F241 HydrophobicContact CG1-CZ 4.41Å; V239-F241 WeakPolarHBondContact O-CE2 3.29Å; F241-T246 WeakPolarHBondContact O-CG2 3.28Å; F241-T246 PolarHBondContact O-OG1 2.69Å; F241-F281 AromaticContact CE1-CE2 3.96Å; F241-F281 HydrophobicContact CE1-CE2 3.96Å; F241-F281 HydrophobicContact CE1-CZ 4.09Å; F241-F281 AromaticContact CZ-CE2 3.8Å; F241-F281 HydrophobicContact CZ-CE2 3.8Å; F241-F281 AromaticContact CZ-CZ 3.78Å; F241-F281 HydrophobicContact CZ-CZ 3.78Å; F241-F288 HydrophobicContact CD2-CD1 4.13Å; F241-F288 HydrophobicContact CE1-CB 3.88Å; F241-F288 HydrophobicContact CE1-CD1 4.45Å; F241-F288 HydrophobicContact CE1-CG 4.36Å; F241-F288 HydrophobicContact CE2-CB 4.2Å; F241-F288 AromaticContact CE2-CD1 3.23Å; F241-F288 HydrophobicContact CE2-CD1 3.23Å; F241-F288 AromaticContact CE2-CE1 3.75Å; F241-F288 HydrophobicContact CE2-CE1 3.75Å; F241-F288 AromaticContact CE2-CG 3.86Å; F241-F288 HydrophobicContact CE2-CG 3.86Å; F241-F288 HydrophobicContact CZ-CB 3.54Å; F241-F288 AromaticContact CZ-CD1 3.45Å; F241-F288 HydrophobicContact CZ-CD1 3.45Å; F241-F288 VanDerWaalsContact CZ-CD1 3.45Å; F241-F288 HydrophobicContact CZ-CD2 4.37Å; F241-F288 HydrophobicContact CZ-CE1 4.24Å; F241-F288 AromaticContact CZ-CG 3.52Å; F241-F288 HydrophobicContact CZ-CG 3.52Å; F241-L291 HydrophobicContact CB-CB 3.83Å; F241-L291 HydrophobicContact CB-CD1 4.11Å; F241-L291 HydrophobicContact CD1-CB 3.89Å; F241-L291 HydrophobicContact CD1-CD1 4.43Å; F241-L291 HydrophobicContact CD2-CD1 3.71Å; F241-L291 HydrophobicContact CE2-CD1 4.33Å; F241-L291 HydrophobicContact CG-CB 3.81Å; F241-L291 HydrophobicContact CG-CD1 3.79Å; F241-L291 HydrophobicContact CG-CG 4.47Å; F241-L292 HydrophobicContact CD1-CD2 4.01Å; F241-L292 HydrophobicContact CE1-CD2 3.74Å; F241-V297 HydrophobicContact CD1-CG1 3.62Å; F241-V297 HydrophobicContact CE1-CG1 3.94Å
242	A	97.4	Very high	97.2	Very high	20 Å²	20	44.4 Å²	44.4	17%	0.165	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-56.6	137.3	-177.4	0	0	0	0	0	113.8	K294 P296	A242-K294 HydrophobicContact CB-CB 3.86Å; A242-K294 VanDerWaalsContact O-CD 3.31Å; A242-K294 WeakPolarHBondContact O-CD 3.19Å; A242-P296 WeakPolarHBondContact CB-O 3.47Å
243	G	95.5	Very high	97.4	Very high	48 Å²	48	43.9 Å²	43.9	50%	0.495	24%	0.235	S	C	.	.	S	Bend	trans	173.5	166.8	-178.9	0	0	0	0	0	111.1	Y245 T246	G243-Y245 PolarHBondContact O-N 3.09Å; G243-Y245 VanDerWaalsContact O-N 3.09Å; G243-T246 PolarHBondContact N-OG1 3.21Å; G243-T246 PolarHBondContact O-N 3.22Å; G243-T246 VanDerWaalsContact O-N 3.13Å; G243-T246 PolarHBondContact O-OG1 3.17Å; G243-T246 VanDerWaalsContact O-OG1 3.05Å
244	D	93.4	Very high	97.6	Very high	163 Å²	163	38.5 Å²	38.5	87%	0.872	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.2	-168.3	-53.6	-35.6	0	0	0	114.2
245	Y	95.4	Very high	97.6	Very high	168 Å²	168	42.2 Å²	42.2	66%	0.659	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	2	-176.9	-55.4	-71.1	0	0	0	113.9	G243 I247 A248 N249	G243-Y245 PolarHBondContact O-N 3.09Å; G243-Y245 VanDerWaalsContact O-N 3.09Å; Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 3.25Å; Y245-A248 PolarHBondContact O-N 3.43Å; Y245-N249 PolarHBondContact O-N 2.72Å
246	T	97.1	Very high	97.6	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-39.7	-169.3	-54.9	0	0	0	0	113	L240 F241 G243 N249 A250 I298	L240-T246 HydrophobicContact CB-CG2 3.63Å; L240-T246 HydrophobicContact CD2-CG2 4.34Å; F241-T246 WeakPolarHBondContact O-CG2 3.28Å; F241-T246 PolarHBondContact O-OG1 2.69Å; G243-T246 PolarHBondContact N-OG1 3.21Å; G243-T246 PolarHBondContact O-N 3.22Å; G243-T246 VanDerWaalsContact O-N 3.13Å; G243-T246 PolarHBondContact O-OG1 3.17Å; G243-T246 VanDerWaalsContact O-OG1 3.05Å; T246-N249 PolarHBondContact O-N 3.04Å; T246-A250 WeakPolarHBondContact O-CB 3.43Å; T246-A250 PolarHBondContact O-N 3.09Å; T246-I298 HydrophobicContact CG2-CD1 3.96Å; T246-I298 HydrophobicContact CG2-CG1 4.45Å
247	I	97.1	Very high	97.6	Very high	90 Å²	90	44.8 Å²	44.8	46%	0.462	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-40.2	176.3	-60.6	178.8	0	0	0	111.4	I166 F167 Y245 R251 I298	I166-I247 HydrophobicContact CD1-CG2 4.36Å; F167-I247 HydrophobicContact CE2-CG1 4.24Å; F167-I247 HydrophobicContact CE2-CG2 4.13Å; F167-I247 HydrophobicContact CZ-CG2 4.21Å; Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 3.25Å; I247-R251 PolarHBondContact O-N 2.91Å; I247-R251 VanDerWaalsContact O-N 3.09Å; I247-I298 HydrophobicContact CG1-CD1 4.09Å
248	A	97	Very high	97.6	Very high	55 Å²	55	48.4 Å²	48.4	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-69	-39.4	177.7	0	0	0	0	0	111.5	Y245 R251 K252	Y245-A248 PolarHBondContact O-N 3.43Å; A248-R251 PolarHBondContact O-N 2.85Å; A248-K252 WeakPolarHBondContact O-CB 3.46Å; A248-K252 PolarHBondContact O-N 3.06Å
249	N	98.1	Very high	97.5	Very high	33 Å²	33	51.7 Å²	51.7	18%	0.176	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-42.1	175.5	-69.5	-4	0	0	0	111.7	L240 Y245 T246 K252 L253 F319	L240-N249 HydrophobicContact CD2-CB 4.02Å; Y245-N249 PolarHBondContact O-N 2.72Å; T246-N249 PolarHBondContact O-N 3.04Å; N249-K252 PolarHBondContact O-N 3.17Å; N249-L253 WeakPolarHBondContact O-CB 3.46Å; N249-L253 PolarHBondContact O-N 2.81Å; N249-F319 HydrophobicContact CB-CD1 4.11Å; N249-F319 HydrophobicContact CB-CE1 3.62Å; N249-F319 HydrophobicContact CB-CZ 4.4Å; N249-F319 WeakPolarHBondContact O-CZ 3.44Å
250	A	98.4	Very high	97.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-49.2	174.4	0	0	0	0	0	111.3	F167 L240 T246 L253 I254 I298 L300	F167-A250 HydrophobicContact CE1-CB 3.9Å; F167-A250 HydrophobicContact CZ-CB 3.81Å; L240-A250 HydrophobicContact CD1-CB 4.38Å; L240-A250 HydrophobicContact CD2-CB 3.94Å; T246-A250 WeakPolarHBondContact O-CB 3.43Å; T246-A250 PolarHBondContact O-N 3.09Å; A250-L253 PolarHBondContact O-N 3.39Å; A250-I254 WeakPolarHBondContact O-CD1 3.26Å; A250-I254 VanDerWaalsContact O-CG1 3.23Å; A250-I254 WeakPolarHBondContact O-CG1 3.34Å; A250-I254 PolarHBondContact O-N 3.3Å; A250-I298 HydrophobicContact CB-CG2 4.23Å; A250-L300 HydrophobicContact CB-CD1 4.48Å
251	R	98	Very high	97.3	Very high	67 Å²	67	59.7 Å²	59.7	25%	0.253	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-51.2	175.4	-74.9	-174.8	-178.8	-84.3	-1.3	112.4	S219 I220 I247 A248 L253 I254 D255	S219-R251 PolarHBondContact O-NH1 3.3Å; I220-R251 PolarHBondContact O-NH2 2.93Å; I247-R251 PolarHBondContact O-N 2.91Å; I247-R251 VanDerWaalsContact O-N 3.09Å; A248-R251 PolarHBondContact O-N 2.85Å; R251-L253 VanDerWaalsContact C-N 3.29Å; R251-L253 PolarHBondContact O-N 2.75Å; R251-I254 WeakPolarHBondContact O-CA 3.2Å; R251-I254 WeakPolarHBondContact O-CB 3.48Å; R251-I254 PolarHBondContact O-N 2.98Å; R251-D255 VanDerWaalsContact O-CG 3.28Å; R251-D255 PolarHBondContact O-N 3.28Å
252	K	98.1	Very high	97.3	Very high	93 Å²	93	60.3 Å²	60.3	40%	0.404	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-39.9	-179.4	-176.9	177	-172.7	-171.9	0	111.9	A248 N249 D255 E256 I318 F319	A248-K252 WeakPolarHBondContact O-CB 3.46Å; A248-K252 PolarHBondContact O-N 3.06Å; N249-K252 PolarHBondContact O-N 3.17Å; K252-D255 PolarHBondContact O-N 2.87Å; K252-E256 HydrophobicContact CG-CG 4.35Å; K252-E256 WeakPolarHBondContact O-CB 3.24Å; K252-E256 WeakPolarHBondContact O-CG 3.44Å; K252-E256 PolarHBondContact O-N 2.87Å; K252-I318 HydrophobicContact CD-CG2 3.91Å; K252-F319 HydrophobicContact CB-CZ 3.99Å; K252-F319 HydrophobicContact CD-CE1 4.41Å; K252-F319 HydrophobicContact CD-CZ 4.1Å; K252-F319 HydrophobicContact CG-CZ 4.03Å
253	L	98.6	Very high	97.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-37.9	176	-178	57.6	0	0	0	112.2	V238 N249 A250 R251 M257 L300 F302 I314 V315 F319 M324	V238-L253 HydrophobicContact CB-CD2 4.34Å; V238-L253 HydrophobicContact CG1-CD2 3.75Å; V238-L253 HydrophobicContact CG2-CD2 4.1Å; N249-L253 WeakPolarHBondContact O-CB 3.46Å; N249-L253 PolarHBondContact O-N 2.81Å; A250-L253 PolarHBondContact O-N 3.39Å; R251-L253 VanDerWaalsContact C-N 3.29Å; R251-L253 PolarHBondContact O-N 2.75Å; L253-M257 HydrophobicContact CD1-CG 3.98Å; L253-M257 HydrophobicContact CG-CG 4.38Å; L253-M257 VanDerWaalsContact O-CB 3.31Å; L253-M257 WeakPolarHBondContact O-CB 3.29Å; L253-M257 WeakPolarHBondContact O-CG 3.44Å; L253-M257 PolarHBondContact O-N 3.08Å; L253-L300 HydrophobicContact CD2-CD1 4.16Å; L253-L300 HydrophobicContact CG-CD1 4.48Å; L253-F302 HydrophobicContact CD2-CE2 4.36Å; L253-F302 HydrophobicContact CG-CE2 4.19Å; L253-F302 HydrophobicContact CG-CZ 4.27Å; L253-I314 HydrophobicContact CD1-CB 4.23Å; L253-I314 HydrophobicContact CD1-CG2 3.54Å; L253-V315 HydrophobicContact CD1-CG2 4.15Å; L253-V315 HydrophobicContact CD2-CG2 4.13Å; L253-F319 HydrophobicContact CB-CE2 3.97Å; L253-F319 HydrophobicContact CB-CZ 4.18Å; L253-F319 HydrophobicContact CD1-CE2 4.24Å; L253-M324 HydrophobicContact CD2-CE 3.78Å
254	I	98.6	Very high	97.5	Very high	13 Å²	13	60.7 Å²	60.7	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-48.5	172.3	-66.2	159.4	0	0	0	110.3	P222 A250 R251 E256 M257 V258 L264 L300 F302	P222-I254 HydrophobicContact CB-CD1 3.95Å; P222-I254 HydrophobicContact CG-CD1 4.04Å; A250-I254 WeakPolarHBondContact O-CD1 3.26Å; A250-I254 VanDerWaalsContact O-CG1 3.23Å; A250-I254 WeakPolarHBondContact O-CG1 3.34Å; A250-I254 PolarHBondContact O-N 3.3Å; R251-I254 WeakPolarHBondContact O-CA 3.2Å; R251-I254 WeakPolarHBondContact O-CB 3.48Å; R251-I254 PolarHBondContact O-N 2.98Å; I254-E256 PolarHBondContact O-N 3.46Å; I254-M257 PolarHBondContact O-N 3.11Å; I254-V258 HydrophobicContact CG2-CG2 4.15Å; I254-V258 WeakPolarHBondContact O-CB 3.44Å; I254-V258 VanDerWaalsContact O-CG2 3.28Å; I254-V258 WeakPolarHBondContact O-CG2 3.48Å; I254-V258 PolarHBondContact O-N 2.89Å; I254-L264 HydrophobicContact CD1-CD2 3.99Å; I254-L264 HydrophobicContact CG1-CD1 4.28Å; I254-L264 HydrophobicContact CG1-CD2 4.12Å; I254-L264 HydrophobicContact CG2-CD2 3.97Å; I254-L300 HydrophobicContact CD1-CD1 4.44Å; I254-L300 HydrophobicContact CD1-CD2 3.94Å; I254-L300 HydrophobicContact CG1-CD1 4.07Å; I254-L300 HydrophobicContact CG1-CD2 4.3Å; I254-F302 HydrophobicContact CG1-CE1 4.29Å; I254-F302 HydrophobicContact CG1-CZ 4Å
255	D	97.9	Very high	97.7	Very high	94 Å²	94	53.2 Å²	53.2	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-42.8	-179.4	-63.5	-32.3	0	0	0	111.9	R251 K252 G259	R251-D255 VanDerWaalsContact O-CG 3.28Å; R251-D255 PolarHBondContact O-N 3.28Å; K252-D255 PolarHBondContact O-N 2.87Å; D255-G259 WeakPolarHBondContact O-CA 3.43Å; D255-G259 PolarHBondContact O-N 3.13Å
256	E	98.3	Very high	97.9	Very high	64 Å²	64	47.2 Å²	47.2	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-69.4	-41.5	178	-66.8	-77	174	0	0	112.5	K252 I254 K260 I314 I318	K252-E256 HydrophobicContact CG-CG 4.35Å; K252-E256 WeakPolarHBondContact O-CB 3.24Å; K252-E256 WeakPolarHBondContact O-CG 3.44Å; K252-E256 PolarHBondContact O-N 2.87Å; I254-E256 PolarHBondContact O-N 3.46Å; E256-K260 WeakPolarHBondContact O-CG 3.49Å; E256-K260 PolarHBondContact O-N 2.81Å; E256-K260 VanDerWaalsContact O-N 3.16Å; E256-I314 HydrophobicContact CB-CD1 4Å; E256-I314 HydrophobicContact CB-CG1 4.42Å; E256-I314 HydrophobicContact CB-CG2 3.96Å; E256-I314 HydrophobicContact CG-CG2 4.37Å; E256-I318 VanDerWaalsContact CD-CD1 3.5Å; E256-I318 HydrophobicContact CG-CD1 3.73Å; E256-I318 WeakPolarHBondContact OE1-CD1 3.47Å
257	M	98.3	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-47.5	177.2	-73.6	-67.2	-73	0	0	111.3	L253 I254 G259 K260 G261 F262 F302 A307 C311 I314	L253-M257 HydrophobicContact CD1-CG 3.98Å; L253-M257 HydrophobicContact CG-CG 4.38Å; L253-M257 VanDerWaalsContact O-CB 3.31Å; L253-M257 WeakPolarHBondContact O-CB 3.29Å; L253-M257 WeakPolarHBondContact O-CG 3.44Å; L253-M257 PolarHBondContact O-N 3.08Å; I254-M257 PolarHBondContact O-N 3.11Å; M257-G259 VanDerWaalsContact C-N 3.34Å; M257-K260 PolarHBondContact O-N 3.29Å; M257-G261 PolarHBondContact O-N 2.96Å; M257-F262 HydrophobicContact CB-CB 4.29Å; M257-F262 HydrophobicContact CB-CD2 4.42Å; M257-F262 HydrophobicContact CE-CB 3.86Å; M257-F262 HydrophobicContact CE-CD1 4.48Å; M257-F262 HydrophobicContact CE-CD2 3.51Å; M257-F262 HydrophobicContact CE-CE2 4.16Å; M257-F262 HydrophobicContact CE-CG 3.7Å; M257-F262 WeakPolarHBondContact O-CB 3.45Å; M257-F262 WeakPolarHBondContact O-CD2 3.22Å; M257-F262 PolarHBondContact O-N 3.03Å; M257-F262 HydrophobicContact SD-CD2 3.74Å; M257-F262 HydrophobicContact SD-CE2 4.22Å; M257-F262 HydrophobicContact SD-CG 4.49Å; M257-F302 HydrophobicContact CB-CD1 3.77Å; M257-F302 HydrophobicContact CB-CE1 3.49Å; M257-F302 VanDerWaalsContact CB-CE1 3.49Å; M257-F302 HydrophobicContact CB-CG 4.4Å; M257-F302 HydrophobicContact CB-CZ 3.92Å; M257-F302 HydrophobicContact CE-CB 3.75Å; M257-F302 HydrophobicContact CE-CD1 4.16Å; M257-F302 HydrophobicContact CE-CD2 3.98Å; M257-F302 HydrophobicContact CE-CG 3.7Å; M257-F302 HydrophobicContact CG-CD1 4.07Å; M257-F302 HydrophobicContact CG-CD2 4.19Å; M257-F302 HydrophobicContact CG-CE1 3.82Å; M257-F302 HydrophobicContact CG-CE2 3.94Å; M257-F302 HydrophobicContact CG-CG 4.25Å; M257-F302 HydrophobicContact CG-CZ 3.74Å; M257-A307 HydrophobicContact CE-CB 4.42Å; M257-C311 HydrophobicContact CE-CB 3.75Å; M257-C311 HydrophobicContact SD-CB 3.77Å; M257-I314 HydrophobicContact CG-CD1 4.05Å; M257-I314 HydrophobicContact SD-CD1 3.49Å; M257-I314 WeakPolarHBondContact SD-CD1 3.37Å
258	V	97.4	Very high	98	Very high	75 Å²	75	42.9 Å²	42.9	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-66	-38	177.3	174.8	0	0	0	0	111.1	I254 K260 G261 F262	I254-V258 HydrophobicContact CG2-CG2 4.15Å; I254-V258 WeakPolarHBondContact O-CB 3.44Å; I254-V258 VanDerWaalsContact O-CG2 3.28Å; I254-V258 WeakPolarHBondContact O-CG2 3.48Å; I254-V258 PolarHBondContact O-N 2.89Å; V258-K260 PolarHBondContact O-N 3.02Å; V258-G261 PolarHBondContact O-N 2.98Å; V258-F262 WeakPolarHBondContact CA-O 3.4Å
259	G	97.1	Very high	98	Very high	69 Å²	69	42.7 Å²	42.7	71%	0.711	23%	0.234	S	C	*	.	H	α-helix	trans	-62.5	-24.3	173.7	0	0	0	0	0	114.3	D255 M257	D255-G259 WeakPolarHBondContact O-CA 3.43Å; D255-G259 PolarHBondContact O-N 3.13Å; M257-G259 VanDerWaalsContact C-N 3.34Å
260	K	97.3	Very high	97.9	Very high	122 Å²	122	41.7 Å²	41.7	53%	0.53	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1.7	171.2	-67.2	-175.8	-159.1	-64.7	0	113.9	E256 M257 V258 F262 I314	E256-K260 WeakPolarHBondContact O-CG 3.49Å; E256-K260 PolarHBondContact O-N 2.81Å; E256-K260 VanDerWaalsContact O-N 3.16Å; M257-K260 PolarHBondContact O-N 3.29Å; V258-K260 PolarHBondContact O-N 3.02Å; K260-F262 HydrophobicContact CB-CD2 3.97Å; K260-F262 HydrophobicContact CB-CE2 3.91Å; K260-F262 HydrophobicContact CD-CE2 4.5Å; K260-I314 HydrophobicContact CD-CD1 3.86Å; K260-I314 HydrophobicContact CD-CG1 4.34Å; K260-I314 VanDerWaalsContact CE-CD1 3.5Å
261	G	96.9	Very high	97.8	Very high	50 Å²	50	45 Å²	45	52%	0.515	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	8.9	177.9	0	0	0	0	0	115.4	M257 V258	M257-G261 PolarHBondContact O-N 2.96Å; V258-G261 PolarHBondContact O-N 2.98Å
262	F	98.1	Very high	97.7	Very high	27 Å²	27	42.2 Å²	42.2	12%	0.118	24%	0.241	C	C	.	.			trans	-80	155.6	170.9	-57.3	-66.1	0	0	0	111.4	M257 V258 K260 A307	M257-F262 HydrophobicContact CB-CB 4.29Å; M257-F262 HydrophobicContact CB-CD2 4.42Å; M257-F262 HydrophobicContact CE-CB 3.86Å; M257-F262 HydrophobicContact CE-CD1 4.48Å; M257-F262 HydrophobicContact CE-CD2 3.51Å; M257-F262 HydrophobicContact CE-CE2 4.16Å; M257-F262 HydrophobicContact CE-CG 3.7Å; M257-F262 WeakPolarHBondContact O-CB 3.45Å; M257-F262 WeakPolarHBondContact O-CD2 3.22Å; M257-F262 PolarHBondContact O-N 3.03Å; M257-F262 HydrophobicContact SD-CD2 3.74Å; M257-F262 HydrophobicContact SD-CE2 4.22Å; M257-F262 HydrophobicContact SD-CG 4.49Å; V258-F262 WeakPolarHBondContact CA-O 3.4Å; K260-F262 HydrophobicContact CB-CD2 3.97Å; K260-F262 HydrophobicContact CB-CE2 3.91Å; K260-F262 HydrophobicContact CD-CE2 4.5Å; F262-A307 HydrophobicContact CD1-CB 3.79Å; F262-A307 VanDerWaalsContact CE1-CA 3.43Å; F262-A307 HydrophobicContact CE1-CB 4.01Å; F262-A307 HydrophobicContact CG-CB 4.48Å
263	F	97.9	Very high	97.6	Very high	73 Å²	73	44 Å²	44	32%	0.32	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.9	-178.1	-60.5	-61.7	0	0	0	112.1	R225 S231 V265 F302 N303	R225-F263 HydrophobicContact CG-CB 4.33Å; S231-F263 WeakPolarHBondContact OG-CE2 3.36Å; F263-V265 PolarHBondContact O-N 2.88Å; F263-F302 CarbonylContact O-C 3.46Å; F263-F302 VanDerWaalsContact O-CA 3.23Å; F263-F302 WeakPolarHBondContact O-CA 3.47Å; F263-N303 PolarHBondContact N-O 3.48Å; F263-N303 PolarHBondContact O-N 3.46Å
264	L	98.6	Very high	97.5	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.5	164.7	-177.8	64.5	0	0	0	109	P222 S224 R225 I254 T267 L300 F302	P222-L264 HydrophobicContact CB-CD2 3.66Å; S224-L264 WeakPolarHBondContact CA-O 2.96Å; R225-L264 PolarHBondContact N-O 3.34Å; I254-L264 HydrophobicContact CD1-CD2 3.99Å; I254-L264 HydrophobicContact CG1-CD1 4.28Å; I254-L264 HydrophobicContact CG1-CD2 4.12Å; I254-L264 HydrophobicContact CG2-CD2 3.97Å; L264-T267 HydrophobicContact CD1-CG2 3.82Å; L264-T267 HydrophobicContact CD2-CG2 4.01Å; L264-T267 HydrophobicContact CG-CG2 4.28Å; L264-L300 HydrophobicContact CD1-CB 4.41Å; L264-F302 HydrophobicContact CB-CD1 4.49Å; L264-F302 HydrophobicContact CB-CE1 4.35Å; L264-F302 HydrophobicContact CD1-CD1 4.26Å; L264-F302 HydrophobicContact CD1-CE1 3.9Å; L264-F302 HydrophobicContact CD1-CZ 4.33Å
265	V	98.3	Very high	97.3	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-57.7	178.5	-172.4	0	0	0	0	109.5	S224 R225 G226 F263 E301 N303	S224-V265 WeakPolarHBondContact CB-O 3.41Å; R225-V265 PolarHBondContact N-O 3.16Å; G226-V265 WeakPolarHBondContact CA-O 3.23Å; G226-V265 PolarHBondContact N-O 2.95Å; F263-V265 PolarHBondContact O-N 2.88Å; V265-E301 HydrophobicContact CB-CB 4.21Å; V265-E301 HydrophobicContact CB-CG 3.95Å; V265-E301 HydrophobicContact CG2-CG 4.08Å; V265-E301 PolarHBondContact N-O 2.81Å; V265-N303 HydrophobicContact CG2-CB 3.36Å
266	Q	98.1	Very high	97.2	Very high	43 Å²	43	49.5 Å²	49.5	20%	0.201	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	167.8	-177.7	48.6	171.7	-7.8	0	0	110.9	E301 Y341	Q266-E301 HydrophobicContact CG-CB 4.06Å; Q266-E301 VanDerWaalsContact CG-OE2 3.22Å; Q266-E301 WeakPolarHBondContact CG-OE2 3.37Å; Q266-E301 PolarHBondContact NE2-OE2 3.31Å; Q266-E301 PolarHBondContact O-N 2.91Å; Q266-Y341 VanDerWaalsContact CD-CZ 3.46Å; Q266-Y341 HydrophobicContact CG-CE1 4.37Å; Q266-Y341 HydrophobicContact CG-CE2 4.22Å; Q266-Y341 WeakPolarHBondContact CG-OH 3.41Å
267	T	98.6	Very high	97.1	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	165	178.7	57.2	0	0	0	0	109.9	F167 L264 A299 L300	F167-T267 WeakPolarHBondContact CA-OG1 3.24Å; F167-T267 HydrophobicContact CD1-CG2 4.21Å; F167-T267 CarbonylContact O-C 3.56Å; F167-T267 WeakPolarHBondContact O-CB 3.31Å; F167-T267 PolarHBondContact O-OG1 2.85Å; L264-T267 HydrophobicContact CD1-CG2 3.82Å; L264-T267 HydrophobicContact CD2-CG2 4.01Å; L264-T267 HydrophobicContact CG-CG2 4.28Å; T267-A299 CarbonylContact C-O 3.55Å; T267-A299 WeakPolarHBondContact CA-O 3.49Å; T267-A299 WeakPolarHBondContact CB-O 3.48Å; T267-L300 HydrophobicContact CG2-CD2 3.49Å; T267-L300 VanDerWaalsContact CG2-CD2 3.49Å
268	K	97.9	Very high	97	Very high	9 Å²	9	51.8 Å²	51.8	4%	0.039	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	146.2	171.6	-147.3	79.6	178.7	-147.3	0	110.8	F167 N168 L270 I298 A299 F340 Y341 A344 D345	F167-K268 WeakPolarHBondContact O-CA 3.21Å; F167-K268 PolarHBondContact O-N 3.24Å; N168-K268 WeakPolarHBondContact OD1-CA 3.3Å; N168-K268 WeakPolarHBondContact OD1-CG 3.31Å; K268-L270 HydrophobicContact CB-CD2 3.87Å; K268-L270 HydrophobicContact CG-CD2 3.4Å; K268-I298 CarbonylContact O-C 3.57Å; K268-I298 WeakPolarHBondContact O-CA 3.1Å; K268-A299 HydrophobicContact CB-CB 4.44Å; K268-A299 PolarHBondContact N-O 3.14Å; K268-A299 PolarHBondContact O-N 2.76Å; K268-F340 HydrophobicContact CB-CE1 3.89Å; K268-F340 HydrophobicContact CG-CE1 4.37Å; K268-Y341 HydrophobicContact CB-CE1 4.17Å; K268-Y341 HydrophobicContact CD-CE1 4.24Å; K268-Y341 HydrophobicContact CG-CE1 4.49Å; K268-A344 HydrophobicContact CG-CB 4.21Å; K268-D345 IonicContact NZ-OD1 2.68Å; K268-D345 PolarHBondContact NZ-OD1 3.08Å; K268-D345 VanDerWaalsContact NZ-OD1 3.09Å
269	E	97.8	Very high	96.8	Very high	52 Å²	52	53.2 Å²	53.2	24%	0.243	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120	167.2	-177.8	179	-179.5	0	0	110.1	S165 F167 N168 P296 V297 I298	S165-E269 WeakPolarHBondContact CB-OE2 3.3Å; S165-E269 WeakPolarHBondContact OG-CB 3.3Å; S165-E269 PolarHBondContact OG-OE2 2.97Å; F167-E269 HydrophobicContact CB-CB 4.09Å; N168-E269 PolarHBondContact ND2-O 2.84Å; N168-E269 PolarHBondContact OD1-N 3.2Å; N168-E269 PolarHBondContact OD1-O 3.38Å; E269-P296 HydrophobicContact CG-CB 3.64Å; E269-V297 WeakPolarHBondContact CA-O 3.26Å; E269-I298 HydrophobicContact CB-CG1 4.43Å; E269-I298 HydrophobicContact CG-CG1 4.19Å
270	L	96.4	Very high	96.7	Very high	12 Å²	12	50 Å²	50	6%	0.063	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	160.2	178.2	62.4	150.7	0	0	0	113.2	K268 M272 P296 V297 F340 F343 A344	K268-L270 HydrophobicContact CB-CD2 3.87Å; K268-L270 HydrophobicContact CG-CD2 3.4Å; L270-M272 PolarHBondContact O-N 2.87Å; L270-P296 CarbonylContact O-C 3.56Å; L270-P296 VanDerWaalsContact O-CA 3.31Å; L270-P296 WeakPolarHBondContact O-CA 3.4Å; L270-V297 PolarHBondContact N-O 3.2Å; L270-V297 VanDerWaalsContact N-O 3.15Å; L270-V297 WeakPolarHBondContact O-CG2 3.38Å; L270-V297 PolarHBondContact O-N 3.08Å; L270-F340 HydrophobicContact CD2-CE1 3.86Å; L270-F340 HydrophobicContact CD2-CZ 3.67Å; L270-F343 HydrophobicContact CD1-CD2 3.97Å; L270-F343 HydrophobicContact CD1-CE2 3.37Å; L270-F343 HydrophobicContact CD1-CZ 3.99Å; L270-F343 HydrophobicContact CG-CE2 4.37Å; L270-A344 HydrophobicContact CD1-CB 3.85Å; L270-A344 HydrophobicContact CD2-CB 3.91Å
271	S	96.1	Very high	96.7	Very high	68 Å²	68	44.4 Å²	44.4	48%	0.476	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-76.1	119.6	171.5	-57.8	0	0	0	0	110.8	Q347	S271-Q347 PolarHBondContact O-NE2 3.25Å; S271-Q347 PolarHBondContact O-OE1 3.06Å
272	M	96.1	Very high	96.6	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.044	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-101.2	131.4	-178.3	-175.5	-175.2	-143.1	0	0	110.8	L270 D276 A277 V280 F281 L292 V297 F340 F343	L270-M272 PolarHBondContact O-N 2.87Å; M272-D276 HydrophobicContact CE-CB 4.32Å; M272-D276 HydrophobicContact CG-CB 3.77Å; M272-A277 HydrophobicContact CE-CB 4.31Å; M272-A277 HydrophobicContact CG-CB 4.39Å; M272-A277 HydrophobicContact SD-CB 4.05Å; M272-V280 HydrophobicContact CE-CB 3.91Å; M272-V280 HydrophobicContact CE-CG2 3.76Å; M272-F281 HydrophobicContact CE-CE1 4.13Å; M272-F281 HydrophobicContact CE-CE2 3.88Å; M272-F281 HydrophobicContact CE-CZ 3.59Å; M272-F281 HydrophobicContact SD-CE2 3.64Å; M272-F281 HydrophobicContact SD-CZ 3.55Å; M272-F281 VanDerWaalsContact SD-CZ 3.55Å; M272-L292 HydrophobicContact CB-CD2 4.26Å; M272-L292 HydrophobicContact CG-CD2 4.32Å; M272-L292 HydrophobicContact SD-CD2 4.07Å; M272-V297 HydrophobicContact CB-CG1 4.14Å; M272-V297 HydrophobicContact CB-CG2 3.87Å; M272-V297 HydrophobicContact SD-CG1 4.46Å; M272-V297 HydrophobicContact SD-CG2 4.29Å; M272-F340 HydrophobicContact CE-CD2 4.27Å; M272-F340 HydrophobicContact CE-CE2 4.27Å; M272-F343 HydrophobicContact CB-CE2 4.32Å; M272-F343 HydrophobicContact CB-CZ 4.27Å; M272-F343 HydrophobicContact CE-CE1 3.79Å; M272-F343 HydrophobicContact CE-CZ 3.71Å; M272-F343 HydrophobicContact CG-CE2 4.06Å; M272-F343 HydrophobicContact CG-CZ 3.77Å; M272-F343 HydrophobicContact SD-CZ 4.37Å
273	K	95.4	Very high	96.5	Very high	132 Å²	132	55 Å²	55	57%	0.574	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-88.2	169.1	177.1	-55.1	171.7	-174.8	166	0	111.2	E275 D276 A277	K273-E275 VanDerWaalsContact C-N 3.29Å; K273-E275 PolarHBondContact O-N 2.75Å; K273-D276 WeakPolarHBondContact CA-OD2 3.18Å; K273-D276 WeakPolarHBondContact CB-OD2 3.27Å; K273-D276 PolarHBondContact N-OD2 3.42Å; K273-D276 PolarHBondContact O-N 2.97Å; K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 3.31Å
274	A	96.3	Very high	96.4	Very high	49 Å²	49	54.7 Å²	54.7	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-37.7	177.2	0	0	0	0	0	113	A277 Q278 L289	A274-A277 PolarHBondContact O-N 2.95Å; A274-Q278 WeakPolarHBondContact O-CB 3.21Å; A274-Q278 VanDerWaalsContact O-CG 3.28Å; A274-Q278 WeakPolarHBondContact O-CG 3.32Å; A274-Q278 PolarHBondContact O-N 2.77Å; A274-L289 HydrophobicContact CB-CD2 3.71Å
275	E	95.1	Very high	96.3	Very high	148 Å²	148	54.6 Å²	54.6	69%	0.692	26%	0.26	S	S	*	.	H	α-helix	trans	-64.5	-44.7	176.4	-67	164.1	-144.6	0	0	111.5	K273 Q278 R279	K273-E275 VanDerWaalsContact C-N 3.29Å; K273-E275 PolarHBondContact O-N 2.75Å; E275-Q278 PolarHBondContact O-N 3.49Å; E275-R279 PolarHBondContact O-N 3.33Å
276	D	95.1	Very high	96.3	Very high	24 Å²	24	58.6 Å²	58.6	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-44.2	176.4	-50.1	-50.1	0	0	0	110.8	M272 K273 Q278 R279 V280 F343	M272-D276 HydrophobicContact CE-CB 4.32Å; M272-D276 HydrophobicContact CG-CB 3.77Å; K273-D276 WeakPolarHBondContact CA-OD2 3.18Å; K273-D276 WeakPolarHBondContact CB-OD2 3.27Å; K273-D276 PolarHBondContact N-OD2 3.42Å; K273-D276 PolarHBondContact O-N 2.97Å; D276-Q278 PolarHBondContact O-N 3.3Å; D276-R279 PolarHBondContact O-N 3.1Å; D276-R279 VanDerWaalsContact O-N 3.16Å; D276-V280 WeakPolarHBondContact O-CG2 3.33Å; D276-V280 PolarHBondContact O-N 2.81Å; D276-F343 HydrophobicContact CB-CD1 4.09Å; D276-F343 HydrophobicContact CB-CD2 3.73Å; D276-F343 HydrophobicContact CB-CE1 4.13Å; D276-F343 HydrophobicContact CB-CE2 3.74Å; D276-F343 HydrophobicContact CB-CG 3.93Å; D276-F343 HydrophobicContact CB-CZ 3.97Å; D276-F343 VanDerWaalsContact CG-CD2 3.43Å
277	A	96.3	Very high	96.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-38.2	177.7	0	0	0	0	0	112.6	M272 K273 A274 R279 F281 A285 L289 L292	M272-A277 HydrophobicContact CE-CB 4.31Å; M272-A277 HydrophobicContact CG-CB 4.39Å; M272-A277 HydrophobicContact SD-CB 4.05Å; K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 3.31Å; A274-A277 PolarHBondContact O-N 2.95Å; A277-R279 VanDerWaalsContact C-N 3.34Å; A277-F281 HydrophobicContact CB-CD2 3.77Å; A277-F281 HydrophobicContact CB-CE2 3.78Å; A277-F281 VanDerWaalsContact O-CB 3.29Å; A277-F281 WeakPolarHBondContact O-CB 3.25Å; A277-F281 WeakPolarHBondContact O-CD2 3.48Å; A277-F281 WeakPolarHBondContact O-CG 3.48Å; A277-F281 PolarHBondContact O-N 2.78Å; A277-A285 WeakPolarHBondContact O-CB 3.39Å; A277-L289 HydrophobicContact CB-CD2 4.07Å; A277-L292 HydrophobicContact CB-CD1 3.66Å; A277-L292 HydrophobicContact CB-CD2 4.35Å
278	Q	95.9	Very high	96.1	Very high	113 Å²	113	61.4 Å²	61.4	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-38.6	171.9	-76	171	-4.5	0	0	112	A274 E275 D276 R282 A285	A274-Q278 WeakPolarHBondContact O-CB 3.21Å; A274-Q278 VanDerWaalsContact O-CG 3.28Å; A274-Q278 WeakPolarHBondContact O-CG 3.32Å; A274-Q278 PolarHBondContact O-N 2.77Å; E275-Q278 PolarHBondContact O-N 3.49Å; D276-Q278 PolarHBondContact O-N 3.3Å; Q278-R282 VanDerWaalsContact O-CA 3.3Å; Q278-R282 WeakPolarHBondContact O-CA 3.41Å; Q278-R282 PolarHBondContact O-N 3.38Å; Q278-R282 VanDerWaalsContact O-N 3.14Å; Q278-A285 HydrophobicContact CG-CB 4.16Å
279	R	94.3	Very high	96.1	Very high	105 Å²	105	63.4 Å²	63.4	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-68.5	-44.7	178.5	-165	177.5	77.7	176.7	9.4	112.7	E275 D276 A277 S339 N342 F343	E275-R279 PolarHBondContact O-N 3.33Å; D276-R279 PolarHBondContact O-N 3.1Å; D276-R279 VanDerWaalsContact O-N 3.16Å; A277-R279 VanDerWaalsContact C-N 3.34Å; R279-S339 PolarHBondContact NE-O 3.29Å; R279-S339 PolarHBondContact NH2-O 2.92Å; R279-N342 VanDerWaalsContact NH2-C 3.31Å; R279-F343 VanDerWaalsContact NH2-CB 3.34Å
280	V	95.5	Very high	96	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-78.8	-53.4	-178	-178	0	0	0	0	111.7	L237 M272 D276 F340 F343	L237-V280 HydrophobicContact CD2-CG1 3.69Å; M272-V280 HydrophobicContact CE-CB 3.91Å; M272-V280 HydrophobicContact CE-CG2 3.76Å; D276-V280 WeakPolarHBondContact O-CG2 3.33Å; D276-V280 PolarHBondContact O-N 2.81Å; V280-F340 HydrophobicContact CG1-CB 4.4Å; V280-F340 HydrophobicContact CG1-CD2 4.4Å; V280-F340 HydrophobicContact CG2-CB 4.19Å; V280-F340 HydrophobicContact CG2-CD2 4.3Å; V280-F343 HydrophobicContact CG2-CD1 4.24Å; V280-F343 HydrophobicContact CG2-CE1 3.89Å
281	F	96.4	Very high	96.1	Very high	5 Å²	5	66.2 Å²	66.2	2%	0.022	33%	0.334	C	S	.	.	H	α-helix	trans	-87.1	-8.8	-171.1	-46.3	-40.3	0	0	0	113.6	V239 F241 M272 A277 E283 K284 A285 F288 F325	V239-F281 HydrophobicContact CB-CE1 3.98Å; V239-F281 HydrophobicContact CB-CZ 4.02Å; V239-F281 HydrophobicContact CG1-CE1 4.46Å; V239-F281 HydrophobicContact CG1-CZ 4.03Å; V239-F281 HydrophobicContact CG2-CE1 3.83Å; V239-F281 HydrophobicContact CG2-CZ 4.21Å; F241-F281 AromaticContact CE1-CE2 3.96Å; F241-F281 HydrophobicContact CE1-CE2 3.96Å; F241-F281 HydrophobicContact CE1-CZ 4.09Å; F241-F281 AromaticContact CZ-CE2 3.8Å; F241-F281 HydrophobicContact CZ-CE2 3.8Å; F241-F281 AromaticContact CZ-CZ 3.78Å; F241-F281 HydrophobicContact CZ-CZ 3.78Å; M272-F281 HydrophobicContact CE-CE1 4.13Å; M272-F281 HydrophobicContact CE-CE2 3.88Å; M272-F281 HydrophobicContact CE-CZ 3.59Å; M272-F281 HydrophobicContact SD-CE2 3.64Å; M272-F281 HydrophobicContact SD-CZ 3.55Å; M272-F281 VanDerWaalsContact SD-CZ 3.55Å; A277-F281 HydrophobicContact CB-CD2 3.77Å; A277-F281 HydrophobicContact CB-CE2 3.78Å; A277-F281 VanDerWaalsContact O-CB 3.29Å; A277-F281 WeakPolarHBondContact O-CB 3.25Å; A277-F281 WeakPolarHBondContact O-CD2 3.48Å; A277-F281 WeakPolarHBondContact O-CG 3.48Å; A277-F281 PolarHBondContact O-N 2.78Å; F281-E283 PolarHBondContact O-N 2.91Å; F281-K284 WeakPolarHBondContact O-CB 3.39Å; F281-K284 PolarHBondContact O-N 3.43Å; F281-A285 HydrophobicContact CB-CB 4.06Å; F281-F288 HydrophobicContact CB-CD2 4.2Å; F281-F288 HydrophobicContact CD2-CB 4.05Å; F281-F288 AromaticContact CD2-CD2 3.74Å; F281-F288 HydrophobicContact CD2-CD2 3.74Å; F281-F288 HydrophobicContact CD2-CG 4.23Å; F281-F288 HydrophobicContact CE2-CB 4.07Å; F281-F288 HydrophobicContact CE2-CD2 4.28Å; F281-F288 HydrophobicContact CE2-CG 4.39Å; F281-F288 AromaticContact CG-CD2 3.98Å; F281-F288 HydrophobicContact CG-CD2 3.98Å; F281-F288 HydrophobicContact CG-CE2 4.49Å; F281-F325 HydrophobicContact CB-CD2 4.08Å; F281-F325 HydrophobicContact CB-CE2 4.15Å; F281-F325 HydrophobicContact CD1-CB 3.88Å; F281-F325 AromaticContact CD1-CD1 3.84Å; F281-F325 HydrophobicContact CD1-CD1 3.84Å; F281-F325 AromaticContact CD1-CD2 3.29Å; F281-F325 HydrophobicContact CD1-CD2 3.29Å; F281-F325 HydrophobicContact CD1-CE1 4.19Å; F281-F325 AromaticContact CD1-CE2 3.69Å; F281-F325 HydrophobicContact CD1-CE2 3.69Å; F281-F325 AromaticContact CD1-CG 3.37Å; F281-F325 HydrophobicContact CD1-CG 3.37Å; F281-F325 HydrophobicContact CD1-CZ 4.11Å; F281-F325 HydrophobicContact CE1-CB 3.67Å; F281-F325 AromaticContact CE1-CD1 3.83Å; F281-F325 HydrophobicContact CE1-CD1 3.83Å; F281-F325 AromaticContact CE1-CD2 3.97Å; F281-F325 HydrophobicContact CE1-CD2 3.97Å; F281-F325 HydrophobicContact CE1-CE1 4.48Å; F281-F325 AromaticContact CE1-CG 3.53Å; F281-F325 HydrophobicContact CE1-CG 3.53Å; F281-F325 AromaticContact CG-CD2 3.93Å; F281-F325 HydrophobicContact CG-CD2 3.93Å; F281-F325 HydrophobicContact CG-CE2 4.33Å; F281-F325 HydrophobicContact CG-CG 4.33Å; F281-F325 HydrophobicContact CZ-CB 4.31Å
282	R	95	Very high	96	Very high	116 Å²	116	63.7 Å²	63.7	44%	0.438	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	51.6	-123.6	176	-50.5	177	-154.7	169.6	11.1	110.8	Q278 K284 A285 T332 D336	Q278-R282 VanDerWaalsContact O-CA 3.3Å; Q278-R282 WeakPolarHBondContact O-CA 3.41Å; Q278-R282 PolarHBondContact O-N 3.38Å; Q278-R282 VanDerWaalsContact O-N 3.14Å; R282-K284 PolarHBondContact O-N 3.32Å; R282-A285 VanDerWaalsContact O-CB 3.24Å; R282-A285 WeakPolarHBondContact O-CB 3.49Å; R282-A285 PolarHBondContact O-N 3.41Å; R282-A285 VanDerWaalsContact O-N 3.08Å; R282-T332 PolarHBondContact NH2-O 3.38Å; R282-D336 IonicContact CZ-OD1 3.82Å; R282-D336 IonicContact NE-OD1 2.68Å; R282-D336 IonicContact NH2-OD1 3.73Å; R282-D336 PolarHBondContact NH2-OD1 2.95Å
283	E	95.3	Very high	96	Very high	184 Å²	184	70.8 Å²	70.8	86%	0.86	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-62.4	-22.9	-179.5	-59.4	-174.1	-174.6	0	0	113.7	F281 P286	F281-E283 PolarHBondContact O-N 2.91Å; E283-P286 VanDerWaalsContact O-CD 3.29Å; E283-P286 WeakPolarHBondContact O-CD 3.44Å
284	K	95.8	Very high	96	Very high	66 Å²	66	71.1 Å²	71.1	29%	0.287	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-85.5	-6.6	177.2	-63.8	172.9	176	159.7	0	113.4	F281 R282 D287 F288 E328	F281-K284 WeakPolarHBondContact O-CB 3.39Å; F281-K284 PolarHBondContact O-N 3.43Å; R282-K284 PolarHBondContact O-N 3.32Å; K284-D287 WeakPolarHBondContact O-CB 3.46Å; K284-D287 PolarHBondContact O-N 3.35Å; K284-F288 HydrophobicContact CB-CE2 4.06Å; K284-F288 WeakPolarHBondContact O-CD2 3.28Å; K284-F288 WeakPolarHBondContact O-CE2 3.37Å; K284-E328 IonicContact NZ-OE1 3.09Å; K284-E328 PolarHBondContact NZ-OE1 2.87Å; K284-E328 IonicContact NZ-OE2 2.66Å; K284-E328 PolarHBondContact NZ-OE2 3.06Å
285	A	96.7	Very high	96	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.008	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-53.2	-41.7	179.9	0	0	0	0	0	114.9	A277 Q278 F281 R282 D287 F288 L289	A277-A285 WeakPolarHBondContact O-CB 3.39Å; Q278-A285 HydrophobicContact CG-CB 4.16Å; F281-A285 HydrophobicContact CB-CB 4.06Å; R282-A285 VanDerWaalsContact O-CB 3.24Å; R282-A285 WeakPolarHBondContact O-CB 3.49Å; R282-A285 PolarHBondContact O-N 3.41Å; R282-A285 VanDerWaalsContact O-N 3.08Å; A285-D287 PolarHBondContact O-N 2.87Å; A285-D287 VanDerWaalsContact O-N 3.11Å; A285-F288 PolarHBondContact O-N 2.86Å; A285-L289 WeakPolarHBondContact O-CG 3.23Å; A285-L289 PolarHBondContact O-N 3.02Å
286	P	97.6	Very high	96.1	Very high	90 Å²	90	65.2 Å²	65.2	58%	0.584	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-56.6	-29.2	-179.2	-26.6	36.9	0	0	0	114.4	E283 F288	E283-P286 VanDerWaalsContact O-CD 3.29Å; E283-P286 WeakPolarHBondContact O-CD 3.44Å; P286-F288 PolarHBondContact O-N 3.22Å
287	D	96.3	Very high	96.2	Very high	89 Å²	89	64.1 Å²	64.1	48%	0.476	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-67.7	-23.4	177.4	-87.4	-55	0	0	0	114	K284 A285 K323	K284-D287 WeakPolarHBondContact O-CB 3.46Å; K284-D287 PolarHBondContact O-N 3.35Å; A285-D287 PolarHBondContact O-N 2.87Å; A285-D287 VanDerWaalsContact O-N 3.11Å; D287-K323 WeakPolarHBondContact O-CD 3.47Å; D287-K323 PolarHBondContact O-NZ 3.03Å; D287-K323 IonicContact OD1-NZ 2.63Å; D287-K323 PolarHBondContact OD1-NZ 3.5Å
288	F	97.3	Very high	96.3	Very high	17 Å²	17	64.3 Å²	64.3	8%	0.075	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-23.9	-171.2	-56.8	-60.3	0	0	0	113.6	F241 F281 K284 A285 P286 P290 L291 K323 F325	F241-F288 HydrophobicContact CD2-CD1 4.13Å; F241-F288 HydrophobicContact CE1-CB 3.88Å; F241-F288 HydrophobicContact CE1-CD1 4.45Å; F241-F288 HydrophobicContact CE1-CG 4.36Å; F241-F288 HydrophobicContact CE2-CB 4.2Å; F241-F288 AromaticContact CE2-CD1 3.23Å; F241-F288 HydrophobicContact CE2-CD1 3.23Å; F241-F288 AromaticContact CE2-CE1 3.75Å; F241-F288 HydrophobicContact CE2-CE1 3.75Å; F241-F288 AromaticContact CE2-CG 3.86Å; F241-F288 HydrophobicContact CE2-CG 3.86Å; F241-F288 HydrophobicContact CZ-CB 3.54Å; F241-F288 AromaticContact CZ-CD1 3.45Å; F241-F288 HydrophobicContact CZ-CD1 3.45Å; F241-F288 VanDerWaalsContact CZ-CD1 3.45Å; F241-F288 HydrophobicContact CZ-CD2 4.37Å; F241-F288 HydrophobicContact CZ-CE1 4.24Å; F241-F288 AromaticContact CZ-CG 3.52Å; F241-F288 HydrophobicContact CZ-CG 3.52Å; F281-F288 HydrophobicContact CB-CD2 4.2Å; F281-F288 HydrophobicContact CD2-CB 4.05Å; F281-F288 AromaticContact CD2-CD2 3.74Å; F281-F288 HydrophobicContact CD2-CD2 3.74Å; F281-F288 HydrophobicContact CD2-CG 4.23Å; F281-F288 HydrophobicContact CE2-CB 4.07Å; F281-F288 HydrophobicContact CE2-CD2 4.28Å; F281-F288 HydrophobicContact CE2-CG 4.39Å; F281-F288 AromaticContact CG-CD2 3.98Å; F281-F288 HydrophobicContact CG-CD2 3.98Å; F281-F288 HydrophobicContact CG-CE2 4.49Å; K284-F288 HydrophobicContact CB-CE2 4.06Å; K284-F288 WeakPolarHBondContact O-CD2 3.28Å; K284-F288 WeakPolarHBondContact O-CE2 3.37Å; A285-F288 PolarHBondContact O-N 2.86Å; P286-F288 PolarHBondContact O-N 3.22Å; F288-P290 VanDerWaalsContact C-N 3.3Å; F288-P290 VanDerWaalsContact O-N 3.15Å; F288-L291 HydrophobicContact CD1-CD1 4.27Å; F288-L291 WeakPolarHBondContact O-CB 3.49Å; F288-L291 PolarHBondContact O-N 2.9Å; F288-K323 HydrophobicContact CE1-CB 4.43Å; F288-F325 HydrophobicContact CE1-CB 4.49Å; F288-F325 HydrophobicContact CE2-CB 4.04Å; F288-F325 AromaticContact CE2-CD2 3.92Å; F288-F325 HydrophobicContact CE2-CD2 3.92Å; F288-F325 HydrophobicContact CE2-CG 4.49Å; F288-F325 HydrophobicContact CZ-CB 3.97Å; F288-F325 HydrophobicContact CZ-CD2 4.43Å
289	L	97	Very high	96.5	Very high	52 Å²	52	58.9 Å²	58.9	27%	0.272	30%	0.3	S	S	.	.	H	α-helix	trans	-47.1	-41.9	177.7	-70.2	-178.7	0	0	0	114.2	A274 A277 A285 L291 L292	A274-L289 HydrophobicContact CB-CD2 3.71Å; A277-L289 HydrophobicContact CB-CD2 4.07Å; A285-L289 WeakPolarHBondContact O-CG 3.23Å; A285-L289 PolarHBondContact O-N 3.02Å; L289-L291 PolarHBondContact O-N 2.9Å; L289-L292 HydrophobicContact CD2-CD1 3.85Å; L289-L292 PolarHBondContact O-N 2.91Å
290	P	96.9	Very high	96.7	Very high	96 Å²	96	53.9 Å²	53.9	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-67.4	-14.1	178.3	-21	34.7	0	0	0	114.9	F288	F288-P290 VanDerWaalsContact C-N 3.3Å; F288-P290 VanDerWaalsContact O-N 3.15Å
291	L	97.1	Very high	96.8	Very high	26 Å²	26	54.1 Å²	54.1	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-92.7	-23.6	-176.3	-52.9	177.9	0	0	0	112.9	F241 F288 L289 N293 K294 K323	F241-L291 HydrophobicContact CB-CB 3.83Å; F241-L291 HydrophobicContact CB-CD1 4.11Å; F241-L291 HydrophobicContact CD1-CB 3.89Å; F241-L291 HydrophobicContact CD1-CD1 4.43Å; F241-L291 HydrophobicContact CD2-CD1 3.71Å; F241-L291 HydrophobicContact CE2-CD1 4.33Å; F241-L291 HydrophobicContact CG-CB 3.81Å; F241-L291 HydrophobicContact CG-CD1 3.79Å; F241-L291 HydrophobicContact CG-CG 4.47Å; F288-L291 HydrophobicContact CD1-CD1 4.27Å; F288-L291 WeakPolarHBondContact O-CB 3.49Å; F288-L291 PolarHBondContact O-N 2.9Å; L289-L291 PolarHBondContact O-N 2.9Å; L291-N293 VanDerWaalsContact C-N 3.27Å; L291-N293 PolarHBondContact O-N 2.91Å; L291-K294 VanDerWaalsContact O-CB 3.31Å; L291-K294 WeakPolarHBondContact O-CB 3.29Å; L291-K294 WeakPolarHBondContact O-CG 3.49Å; L291-K294 PolarHBondContact O-N 3.14Å; L291-K294 VanDerWaalsContact O-N 3.1Å; L291-K323 HydrophobicContact CD1-CB 3.73Å; L291-K323 HydrophobicContact CD1-CD 4.14Å
292	L	95.8	Very high	96.9	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-34.8	-174.6	-55.7	-179.8	0	0	0	113	F241 M272 A277 L289 K294 V297	F241-L292 HydrophobicContact CD1-CD2 4.01Å; F241-L292 HydrophobicContact CE1-CD2 3.74Å; M272-L292 HydrophobicContact CB-CD2 4.26Å; M272-L292 HydrophobicContact CG-CD2 4.32Å; M272-L292 HydrophobicContact SD-CD2 4.07Å; A277-L292 HydrophobicContact CB-CD1 3.66Å; A277-L292 HydrophobicContact CB-CD2 4.35Å; L289-L292 HydrophobicContact CD2-CD1 3.85Å; L289-L292 PolarHBondContact O-N 2.91Å; L292-K294 PolarHBondContact O-N 3.27Å; L292-K294 VanDerWaalsContact O-N 3.16Å; L292-V297 HydrophobicContact CD2-CG1 4.3Å
293	N	94.3	Very high	97.1	Very high	158 Å²	158	48.4 Å²	48.4	85%	0.845	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-4.3	-179.7	-66.8	-28.4	0	0	0	114	L291	L291-N293 VanDerWaalsContact C-N 3.27Å; L291-N293 PolarHBondContact O-N 2.91Å
294	K	95.9	Very high	97.2	Very high	138 Å²	138	40 Å²	40	60%	0.6	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-21.2	178.5	-64.9	-177.3	178.7	-174.5	0	113.4	A242 L291 L292	A242-K294 HydrophobicContact CB-CB 3.86Å; A242-K294 VanDerWaalsContact O-CD 3.31Å; A242-K294 WeakPolarHBondContact O-CD 3.19Å; L291-K294 VanDerWaalsContact O-CB 3.31Å; L291-K294 WeakPolarHBondContact O-CB 3.29Å; L291-K294 WeakPolarHBondContact O-CG 3.49Å; L291-K294 PolarHBondContact O-N 3.14Å; L291-K294 VanDerWaalsContact O-N 3.1Å; L292-K294 PolarHBondContact O-N 3.27Å; L292-K294 VanDerWaalsContact O-N 3.16Å
295	G	96.1	Very high	97.3	Very high	23 Å²	23	42.4 Å²	42.4	24%	0.237	24%	0.239	C	C	.	.	S	Bend	trans	142.8	-169.2	-175.8	0	0	0	0	0	112.4
296	P	97.2	Very high	97.4	Very high	50 Å²	50	43.6 Å²	43.6	33%	0.325	25%	0.252	S	S	.	.			trans	-55.4	144.6	178.1	-26.2	36	0	0	0	113.5	A242 E269 L270	A242-P296 WeakPolarHBondContact CB-O 3.47Å; E269-P296 HydrophobicContact CG-CB 3.64Å; L270-P296 CarbonylContact O-C 3.56Å; L270-P296 VanDerWaalsContact O-CA 3.31Å; L270-P296 WeakPolarHBondContact O-CA 3.4Å
297	V	98.2	Very high	97.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	149.2	165.9	-58.4	0	0	0	0	109.6	V239 L240 F241 E269 L270 M272 L292 F340	V239-V297 HydrophobicContact CG1-CB 3.62Å; V239-V297 HydrophobicContact CG1-CG1 4.19Å; V239-V297 HydrophobicContact CG1-CG2 3.81Å; L240-V297 CarbonylContact O-C 3.52Å; L240-V297 VanDerWaalsContact O-CA 3.26Å; L240-V297 WeakPolarHBondContact O-CA 3.26Å; L240-V297 WeakPolarHBondContact O-CB 3.41Å; F241-V297 HydrophobicContact CD1-CG1 3.62Å; F241-V297 HydrophobicContact CE1-CG1 3.94Å; E269-V297 WeakPolarHBondContact CA-O 3.26Å; L270-V297 PolarHBondContact N-O 3.2Å; L270-V297 VanDerWaalsContact N-O 3.15Å; L270-V297 WeakPolarHBondContact O-CG2 3.38Å; L270-V297 PolarHBondContact O-N 3.08Å; M272-V297 HydrophobicContact CB-CG1 4.14Å; M272-V297 HydrophobicContact CB-CG2 3.87Å; M272-V297 HydrophobicContact SD-CG1 4.46Å; M272-V297 HydrophobicContact SD-CG2 4.29Å; L292-V297 HydrophobicContact CD2-CG1 4.3Å; V297-F340 HydrophobicContact CG2-CE2 4.26Å; V297-F340 HydrophobicContact CG2-CZ 4.34Å
298	I	98.7	Very high	97.5	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.8	171.9	-60	174.8	0	0	0	107.5	F167 L240 T246 I247 A250 K268 E269 L300	F167-I298 HydrophobicContact CB-CG2 4.4Å; F167-I298 HydrophobicContact CD1-CG2 3.77Å; F167-I298 HydrophobicContact CD2-CD1 3.86Å; F167-I298 HydrophobicContact CD2-CG1 4.25Å; F167-I298 HydrophobicContact CD2-CG2 4.06Å; F167-I298 HydrophobicContact CE1-CG2 4Å; F167-I298 HydrophobicContact CE2-CD1 3.59Å; F167-I298 HydrophobicContact CE2-CG1 4.45Å; F167-I298 HydrophobicContact CE2-CG2 4.3Å; F167-I298 HydrophobicContact CG-CG2 3.8Å; F167-I298 HydrophobicContact CZ-CD1 4.16Å; F167-I298 HydrophobicContact CZ-CG2 4.26Å; L240-I298 HydrophobicContact CB-CB 4.45Å; L240-I298 HydrophobicContact CD1-CB 4.47Å; L240-I298 HydrophobicContact CD1-CG2 4.45Å; L240-I298 VanDerWaalsContact CD1-O 3.28Å; L240-I298 WeakPolarHBondContact CD1-O 3.5Å; L240-I298 PolarHBondContact N-O 2.92Å; L240-I298 PolarHBondContact O-N 2.95Å; T246-I298 HydrophobicContact CG2-CD1 3.96Å; T246-I298 HydrophobicContact CG2-CG1 4.45Å; I247-I298 HydrophobicContact CG1-CD1 4.09Å; A250-I298 HydrophobicContact CB-CG2 4.23Å; K268-I298 CarbonylContact O-C 3.57Å; K268-I298 WeakPolarHBondContact O-CA 3.1Å; E269-I298 HydrophobicContact CB-CG1 4.43Å; E269-I298 HydrophobicContact CG-CG1 4.19Å; I298-L300 HydrophobicContact CG2-CD2 4.17Å
299	A	98.6	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.7	173.6	0	0	0	0	0	111.4	L237 V238 V239 T267 K268 F340	L237-A299 HydrophobicContact CD1-CB 4.18Å; V238-A299 CarbonylContact O-C 3.55Å; V238-A299 VanDerWaalsContact O-CA 3.26Å; V238-A299 WeakPolarHBondContact O-CA 3.47Å; V239-A299 HydrophobicContact CG2-CB 4.22Å; T267-A299 CarbonylContact C-O 3.55Å; T267-A299 WeakPolarHBondContact CA-O 3.49Å; T267-A299 WeakPolarHBondContact CB-O 3.48Å; K268-A299 HydrophobicContact CB-CB 4.44Å; K268-A299 PolarHBondContact N-O 3.14Å; K268-A299 PolarHBondContact O-N 2.76Å; A299-F340 HydrophobicContact CB-CD1 4.03Å; A299-F340 HydrophobicContact CB-CD2 4.32Å; A299-F340 HydrophobicContact CB-CE1 3.42Å; A299-F340 VanDerWaalsContact CB-CE1 3.42Å; A299-F340 HydrophobicContact CB-CE2 3.75Å; A299-F340 HydrophobicContact CB-CG 4.46Å; A299-F340 HydrophobicContact CB-CZ 3.27Å
300	L	98.8	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.6	174.6	-47.8	175.5	0	0	0	108.2	F167 V238 L240 A250 L253 I254 L264 T267 I298 F302	F167-L300 HydrophobicContact CD1-CD2 4.43Å; F167-L300 HydrophobicContact CE1-CD2 4.46Å; V238-L300 HydrophobicContact CB-CB 4.31Å; V238-L300 PolarHBondContact N-O 3Å; V238-L300 PolarHBondContact O-N 2.92Å; L240-L300 HydrophobicContact CD1-CD1 3.83Å; L240-L300 HydrophobicContact CD1-CG 3.91Å; A250-L300 HydrophobicContact CB-CD1 4.48Å; L253-L300 HydrophobicContact CD2-CD1 4.16Å; L253-L300 HydrophobicContact CG-CD1 4.48Å; I254-L300 HydrophobicContact CD1-CD1 4.44Å; I254-L300 HydrophobicContact CD1-CD2 3.94Å; I254-L300 HydrophobicContact CG1-CD1 4.07Å; I254-L300 HydrophobicContact CG1-CD2 4.3Å; L264-L300 HydrophobicContact CD1-CB 4.41Å; T267-L300 HydrophobicContact CG2-CD2 3.49Å; T267-L300 VanDerWaalsContact CG2-CD2 3.49Å; I298-L300 HydrophobicContact CG2-CD2 4.17Å; L300-F302 HydrophobicContact CB-CD2 4.43Å; L300-F302 HydrophobicContact CB-CE2 3.81Å; L300-F302 HydrophobicContact CB-CZ 4.19Å; L300-F302 HydrophobicContact CD1-CE2 3.95Å; L300-F302 HydrophobicContact CD1-CZ 3.95Å
301	E	98.5	Very high	97.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.2	168.8	-177.6	-170.9	151.7	0	0	109.5	K230 C236 V265 Q266 V337 Y341	K230-E301 IonicContact NZ-OE1 2.7Å; K230-E301 PolarHBondContact NZ-OE1 3.37Å; C236-E301 WeakPolarHBondContact O-CA 3.45Å; V265-E301 HydrophobicContact CB-CB 4.21Å; V265-E301 HydrophobicContact CB-CG 3.95Å; V265-E301 HydrophobicContact CG2-CG 4.08Å; V265-E301 PolarHBondContact N-O 2.81Å; Q266-E301 HydrophobicContact CG-CB 4.06Å; Q266-E301 VanDerWaalsContact CG-OE2 3.22Å; Q266-E301 WeakPolarHBondContact CG-OE2 3.37Å; Q266-E301 PolarHBondContact NE2-OE2 3.31Å; Q266-E301 PolarHBondContact O-N 2.91Å; E301-V337 HydrophobicContact CG-CG1 4.33Å; E301-V337 HydrophobicContact CG-CG2 3.97Å; E301-Y341 HydrophobicContact CB-CE2 4.47Å
302	F	98.6	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.9	171.3	-63.7	-74.9	0	0	0	111.7	S235 C236 V238 L253 I254 M257 F263 L264 L300	S235-F302 CarbonylContact C-O 3.54Å; S235-F302 WeakPolarHBondContact CA-O 3.15Å; C236-F302 HydrophobicContact CB-CB 4.4Å; C236-F302 PolarHBondContact N-O 2.73Å; C236-F302 PolarHBondContact O-N 2.87Å; V238-F302 HydrophobicContact CG2-CD2 4.11Å; V238-F302 HydrophobicContact CG2-CE2 4.05Å; L253-F302 HydrophobicContact CD2-CE2 4.36Å; L253-F302 HydrophobicContact CG-CE2 4.19Å; L253-F302 HydrophobicContact CG-CZ 4.27Å; I254-F302 HydrophobicContact CG1-CE1 4.29Å; I254-F302 HydrophobicContact CG1-CZ 4Å; M257-F302 HydrophobicContact CB-CD1 3.77Å; M257-F302 HydrophobicContact CB-CE1 3.49Å; M257-F302 VanDerWaalsContact CB-CE1 3.49Å; M257-F302 HydrophobicContact CB-CG 4.4Å; M257-F302 HydrophobicContact CB-CZ 3.92Å; M257-F302 HydrophobicContact CE-CB 3.75Å; M257-F302 HydrophobicContact CE-CD1 4.16Å; M257-F302 HydrophobicContact CE-CD2 3.98Å; M257-F302 HydrophobicContact CE-CG 3.7Å; M257-F302 HydrophobicContact CG-CD1 4.07Å; M257-F302 HydrophobicContact CG-CD2 4.19Å; M257-F302 HydrophobicContact CG-CE1 3.82Å; M257-F302 HydrophobicContact CG-CE2 3.94Å; M257-F302 HydrophobicContact CG-CG 4.25Å; M257-F302 HydrophobicContact CG-CZ 3.74Å; F263-F302 CarbonylContact O-C 3.46Å; F263-F302 VanDerWaalsContact O-CA 3.23Å; F263-F302 WeakPolarHBondContact O-CA 3.47Å; L264-F302 HydrophobicContact CB-CD1 4.49Å; L264-F302 HydrophobicContact CB-CE1 4.35Å; L264-F302 HydrophobicContact CD1-CD1 4.26Å; L264-F302 HydrophobicContact CD1-CE1 3.9Å; L264-F302 HydrophobicContact CD1-CZ 4.33Å; L300-F302 HydrophobicContact CB-CD2 4.43Å; L300-F302 HydrophobicContact CB-CE2 3.81Å; L300-F302 HydrophobicContact CB-CZ 4.19Å; L300-F302 HydrophobicContact CD1-CE2 3.95Å; L300-F302 HydrophobicContact CD1-CZ 3.95Å
303	N	98.4	Very high	97.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.4	177.2	172.9	-116.2	0	0	0	111.4	K230 S232 E234 F263 V265	K230-N303 WeakPolarHBondContact CB-OD1 3.44Å; S232-N303 PolarHBondContact O-ND2 2.71Å; E234-N303 WeakPolarHBondContact O-CA 3.46Å; E234-N303 PolarHBondContact O-ND2 3.37Å; F263-N303 PolarHBondContact N-O 3.48Å; F263-N303 PolarHBondContact O-N 3.46Å; V265-N303 HydrophobicContact CG2-CB 3.36Å
304	G	97.9	Very high	97.9	Very high	7 Å²	7	32.9 Å²	32.9	7%	0.072	18%	0.181	C	C	.	.	S	Bend	trans	142.8	154.5	-179.4	0	0	0	0	0	111.5	E234 G306 A307	E234-G304 WeakPolarHBondContact CB-O 3.36Å; E234-G304 PolarHBondContact O-N 2.68Å; G304-G306 PolarHBondContact O-N 2.69Å; G304-A307 WeakPolarHBondContact O-CB 3.49Å; G304-A307 PolarHBondContact O-N 3.18Å
305	D	97.9	Very high	97.9	Very high	117 Å²	117	27 Å²	27	63%	0.626	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	123.8	-178.8	-58.8	-46	0	0	0	110.7	S232	S232-D305 VanDerWaalsContact CB-OD1 3.29Å; S232-D305 WeakPolarHBondContact CB-OD1 3.46Å; S232-D305 PolarHBondContact OG-N 2.86Å; S232-D305 PolarHBondContact OG-OD1 3.27Å
306	G	97.8	Very high	97.9	Very high	27 Å²	27	31.5 Å²	31.5	28%	0.278	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	13.1	-172.1	0	0	0	0	0	114.8	E234 G304 V308 E309 G310	E234-G306 VanDerWaalsContact CD-N 3.28Å; E234-G306 VanDerWaalsContact OE1-C 3.25Å; E234-G306 WeakPolarHBondContact OE1-CA 3.17Å; E234-G306 PolarHBondContact OE1-N 3.09Å; E234-G306 PolarHBondContact OE2-N 3.28Å; G304-G306 PolarHBondContact O-N 2.69Å; G306-V308 PolarHBondContact O-N 2.94Å; G306-E309 PolarHBondContact O-N 3.33Å; G306-G310 PolarHBondContact O-N 3.37Å
307	A	97.9	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-34.2	178.1	0	0	0	0	0	113.3	E234 C236 M257 F262 G304 C311	E234-A307 HydrophobicContact CG-CB 4.45Å; E234-A307 PolarHBondContact OE1-N 3.38Å; C236-A307 HydrophobicContact CB-CB 4.24Å; M257-A307 HydrophobicContact CE-CB 4.42Å; F262-A307 HydrophobicContact CD1-CB 3.79Å; F262-A307 VanDerWaalsContact CE1-CA 3.43Å; F262-A307 HydrophobicContact CE1-CB 4.01Å; F262-A307 HydrophobicContact CG-CB 4.48Å; G304-A307 WeakPolarHBondContact O-CB 3.49Å; G304-A307 PolarHBondContact O-N 3.18Å; A307-C311 WeakPolarHBondContact O-CB 3.43Å; A307-C311 PolarHBondContact O-N 2.85Å
308	V	98.4	Very high	97.8	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-68.7	-52.3	178.7	178.1	0	0	0	0	111.1	E234 S235 C236 G306 C311 Q312 S327 A333	E234-V308 HydrophobicContact CG-CG2 4.36Å; E234-V308 PolarHBondContact OE1-N 3.07Å; S235-V308 WeakPolarHBondContact O-CG2 3.4Å; C236-V308 HydrophobicContact CB-CG2 3.87Å; G306-V308 PolarHBondContact O-N 2.94Å; V308-C311 PolarHBondContact O-N 2.67Å; V308-Q312 VanDerWaalsContact O-CG 3.32Å; V308-Q312 WeakPolarHBondContact O-CG 3.36Å; V308-Q312 PolarHBondContact O-N 3.06Å; V308-S327 VanDerWaalsContact CG1-O 3.32Å; V308-S327 WeakPolarHBondContact CG1-O 3.2Å; V308-A333 HydrophobicContact CG2-CB 4.02Å
309	E	98	Very high	97.6	Very high	134 Å²	134	39.1 Å²	39.1	63%	0.626	21%	0.207	S	C	*	.	H	α-helix	trans	-63.2	-46	178.8	-175.6	179.6	-178.6	0	0	111.3	G306 C311 Q312 L313	G306-E309 PolarHBondContact O-N 3.33Å; E309-C311 VanDerWaalsContact C-N 3.32Å; E309-C311 PolarHBondContact O-N 3.2Å; E309-Q312 PolarHBondContact O-N 2.99Å; E309-L313 HydrophobicContact CG-CD1 4.12Å; E309-L313 WeakPolarHBondContact O-CG 3.2Å; E309-L313 PolarHBondContact O-N 3.34Å
310	G	97.8	Very high	97.2	Very high	11 Å²	11	46 Å²	46	11%	0.113	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-41.4	177.3	0	0	0	0	0	112.8	G306 I314	G306-G310 PolarHBondContact O-N 3.37Å; G310-I314 WeakPolarHBondContact O-CD1 3.46Å; G310-I314 WeakPolarHBondContact O-CG1 3.49Å; G310-I314 PolarHBondContact O-N 3.42Å; G310-I314 VanDerWaalsContact O-N 3.13Å
311	C	98.1	Very high	96.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-44.7	176.8	-164.6	0	0	0	0	112.2	V238 M257 A307 V308 E309 L313 I314 V315 V326	V238-C311 WeakPolarHBondContact CG2-SG 3.49Å; M257-C311 HydrophobicContact CE-CB 3.75Å; M257-C311 HydrophobicContact SD-CB 3.77Å; A307-C311 WeakPolarHBondContact O-CB 3.43Å; A307-C311 PolarHBondContact O-N 2.85Å; V308-C311 PolarHBondContact O-N 2.67Å; E309-C311 VanDerWaalsContact C-N 3.32Å; E309-C311 PolarHBondContact O-N 3.2Å; C311-L313 VanDerWaalsContact C-N 3.32Å; C311-L313 PolarHBondContact O-N 2.97Å; C311-I314 PolarHBondContact O-N 3.31Å; C311-V315 WeakPolarHBondContact O-CB 3.2Å; C311-V315 WeakPolarHBondContact O-CG2 3.31Å; C311-V315 PolarHBondContact O-N 2.84Å; C311-V326 HydrophobicContact CB-CG1 4.21Å
312	Q	97.8	Very high	96.5	Very high	62 Å²	62	52.5 Å²	52.5	29%	0.29	30%	0.3	S	S	.	.	H	α-helix	trans	-59.2	-42.4	176.4	-72	175.5	9	0	0	111.7	V308 E309 V315 N316 V326 S327 E328	V308-Q312 VanDerWaalsContact O-CG 3.32Å; V308-Q312 WeakPolarHBondContact O-CG 3.36Å; V308-Q312 PolarHBondContact O-N 3.06Å; E309-Q312 PolarHBondContact O-N 2.99Å; Q312-V315 PolarHBondContact O-N 2.9Å; Q312-N316 WeakPolarHBondContact O-CB 3.28Å; Q312-N316 VanDerWaalsContact O-CG 3.23Å; Q312-N316 PolarHBondContact O-N 2.68Å; Q312-N316 PolarHBondContact O-ND2 3.18Å; Q312-V326 HydrophobicContact CG-CB 4.41Å; Q312-V326 HydrophobicContact CG-CG1 3.79Å; Q312-S327 PolarHBondContact NE2-O 3.35Å; Q312-E328 PolarHBondContact NE2-O 2.86Å
313	L	97.5	Very high	96.3	Very high	104 Å²	104	57.5 Å²	57.5	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-50.3	175.7	-72.6	169.7	0	0	0	111.8	E309 C311 V315 N316 E317	E309-L313 HydrophobicContact CG-CD1 4.12Å; E309-L313 WeakPolarHBondContact O-CG 3.2Å; E309-L313 PolarHBondContact O-N 3.34Å; C311-L313 VanDerWaalsContact C-N 3.32Å; C311-L313 PolarHBondContact O-N 2.97Å; L313-V315 VanDerWaalsContact C-N 3.33Å; L313-V315 PolarHBondContact O-N 2.84Å; L313-N316 PolarHBondContact O-N 2.69Å; L313-E317 WeakPolarHBondContact O-CB 3.32Å; L313-E317 PolarHBondContact O-N 2.85Å
314	I	97.7	Very high	96.2	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-43.8	176.8	-69.8	160.4	0	0	0	111.2	L253 E256 M257 K260 G310 C311 E317 I318 F319	L253-I314 HydrophobicContact CD1-CB 4.23Å; L253-I314 HydrophobicContact CD1-CG2 3.54Å; E256-I314 HydrophobicContact CB-CD1 4Å; E256-I314 HydrophobicContact CB-CG1 4.42Å; E256-I314 HydrophobicContact CB-CG2 3.96Å; E256-I314 HydrophobicContact CG-CG2 4.37Å; M257-I314 HydrophobicContact CG-CD1 4.05Å; M257-I314 HydrophobicContact SD-CD1 3.49Å; M257-I314 WeakPolarHBondContact SD-CD1 3.37Å; K260-I314 HydrophobicContact CD-CD1 3.86Å; K260-I314 HydrophobicContact CD-CG1 4.34Å; K260-I314 VanDerWaalsContact CE-CD1 3.5Å; G310-I314 WeakPolarHBondContact O-CD1 3.46Å; G310-I314 WeakPolarHBondContact O-CG1 3.49Å; G310-I314 PolarHBondContact O-N 3.42Å; G310-I314 VanDerWaalsContact O-N 3.13Å; C311-I314 PolarHBondContact O-N 3.31Å; I314-E317 PolarHBondContact O-N 2.86Å; I314-I318 HydrophobicContact CG2-CD1 4.01Å; I314-I318 HydrophobicContact CG2-CG1 4.44Å; I314-I318 WeakPolarHBondContact O-CB 3.39Å; I314-I318 PolarHBondContact O-N 3.03Å; I314-F319 HydrophobicContact CG2-CE2 4.34Å
315	V	97.2	Very high	96.2	Very high	15 Å²	15	58.4 Å²	58.4	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-42	-178.8	169.7	0	0	0	0	111.7	L253 C311 Q312 L313 F319 M324 V326	L253-V315 HydrophobicContact CD1-CG2 4.15Å; L253-V315 HydrophobicContact CD2-CG2 4.13Å; C311-V315 WeakPolarHBondContact O-CB 3.2Å; C311-V315 WeakPolarHBondContact O-CG2 3.31Å; C311-V315 PolarHBondContact O-N 2.84Å; Q312-V315 PolarHBondContact O-N 2.9Å; L313-V315 VanDerWaalsContact C-N 3.33Å; L313-V315 PolarHBondContact O-N 2.84Å; V315-F319 HydrophobicContact CG2-CD2 4.43Å; V315-F319 CarbonylContact O-C 3.44Å; V315-F319 WeakPolarHBondContact O-CA 3.43Å; V315-F319 WeakPolarHBondContact O-CB 3.35Å; V315-F319 PolarHBondContact O-N 3.04Å; V315-M324 HydrophobicContact CG1-SD 4.37Å; V315-M324 HydrophobicContact CG2-CE 4.18Å; V315-V326 HydrophobicContact CB-CG2 4.23Å; V315-V326 HydrophobicContact CG1-CG2 4.13Å; V315-V326 HydrophobicContact CG2-CG2 3.92Å
316	N	95.7	Very high	96.3	Very high	117 Å²	117	53.8 Å²	53.8	63%	0.626	30%	0.3	S	S	*	.	H	α-helix	trans	-68.5	-36.8	177.2	-71.5	-35.5	0	0	0	113.1	Q312 L313	Q312-N316 WeakPolarHBondContact O-CB 3.28Å; Q312-N316 VanDerWaalsContact O-CG 3.23Å; Q312-N316 PolarHBondContact O-N 2.68Å; Q312-N316 PolarHBondContact O-ND2 3.18Å; L313-N316 PolarHBondContact O-N 2.69Å
317	E	95.7	Very high	96.3	Very high	157 Å²	157	52.5 Å²	52.5	73%	0.734	29%	0.287	S	S	*	.	H	α-helix	trans	-76.4	-49.4	-179.8	-176.5	175.3	-170.7	0	0	112.3	L313 I314	L313-E317 WeakPolarHBondContact O-CB 3.32Å; L313-E317 PolarHBondContact O-N 2.85Å; I314-E317 PolarHBondContact O-N 2.86Å
318	I	95.9	Very high	96.2	Very high	49 Å²	49	58.2 Å²	58.2	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-94.9	-35.5	-167.2	-60.5	-172.1	0	0	0	112.9	K252 E256 I314	K252-I318 HydrophobicContact CD-CG2 3.91Å; E256-I318 VanDerWaalsContact CD-CD1 3.5Å; E256-I318 HydrophobicContact CG-CD1 3.73Å; E256-I318 WeakPolarHBondContact OE1-CD1 3.47Å; I314-I318 HydrophobicContact CG2-CD1 4.01Å; I314-I318 HydrophobicContact CG2-CG1 4.44Å; I314-I318 WeakPolarHBondContact O-CB 3.39Å; I314-I318 PolarHBondContact O-N 3.03Å
319	F	94.9	Very high	96.2	Very high	8 Å²	8	59.5 Å²	59.5	4%	0.035	32%	0.323	C	S	.	.	S	Bend	trans	-109.8	20.2	-170.3	-59.7	-75.5	0	0	0	112.9	N249 K252 L253 I314 V315 G321 T322 M324	N249-F319 HydrophobicContact CB-CD1 4.11Å; N249-F319 HydrophobicContact CB-CE1 3.62Å; N249-F319 HydrophobicContact CB-CZ 4.4Å; N249-F319 WeakPolarHBondContact O-CZ 3.44Å; K252-F319 HydrophobicContact CB-CZ 3.99Å; K252-F319 HydrophobicContact CD-CE1 4.41Å; K252-F319 HydrophobicContact CD-CZ 4.1Å; K252-F319 HydrophobicContact CG-CZ 4.03Å; L253-F319 HydrophobicContact CB-CE2 3.97Å; L253-F319 HydrophobicContact CB-CZ 4.18Å; L253-F319 HydrophobicContact CD1-CE2 4.24Å; I314-F319 HydrophobicContact CG2-CE2 4.34Å; V315-F319 HydrophobicContact CG2-CD2 4.43Å; V315-F319 CarbonylContact O-C 3.44Å; V315-F319 WeakPolarHBondContact O-CA 3.43Å; V315-F319 WeakPolarHBondContact O-CB 3.35Å; V315-F319 PolarHBondContact O-N 3.04Å; F319-G321 PolarHBondContact O-N 3.35Å; F319-T322 WeakPolarHBondContact O-CA 3.14Å; F319-T322 VanDerWaalsContact O-CB 3.25Å; F319-T322 WeakPolarHBondContact O-CB 3.29Å; F319-T322 PolarHBondContact O-N 3.12Å; F319-T322 PolarHBondContact O-OG1 3.5Å; F319-M324 HydrophobicContact CB-SD 3.78Å; F319-M324 HydrophobicContact CD1-SD 4.45Å; F319-M324 HydrophobicContact CD2-CE 4.44Å; F319-M324 HydrophobicContact CD2-SD 4.49Å; F319-M324 HydrophobicContact CG-CE 4.44Å; F319-M324 HydrophobicContact CG-SD 4Å
320	N	89.9	Confident	96.1	Very high	144 Å²	144	56.5 Å²	56.5	77%	0.77	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	128.5	176.7	-169.5	-6.8	0	0	0	111.8	T322	N320-T322 VanDerWaalsContact C-N 3.33Å
321	G	88.8	Confident	96	Very high	76 Å²	76	63 Å²	63	78%	0.784	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-11.5	-173.8	0	0	0	0	0	115.5	F319	F319-G321 PolarHBondContact O-N 3.35Å
322	T	93.9	Very high	95.9	Very high	66 Å²	66	64.8 Å²	64.8	41%	0.405	35%	0.346	S	S	.	.	S	Bend	trans	-93.4	116.7	172.3	-54.2	0	0	0	0	109.8	F319 N320 M324	F319-T322 WeakPolarHBondContact O-CA 3.14Å; F319-T322 VanDerWaalsContact O-CB 3.25Å; F319-T322 WeakPolarHBondContact O-CB 3.29Å; F319-T322 PolarHBondContact O-N 3.12Å; F319-T322 PolarHBondContact O-OG1 3.5Å; N320-T322 VanDerWaalsContact C-N 3.33Å; T322-M324 HydrophobicContact CG2-CG 4.13Å; T322-M324 HydrophobicContact CG2-SD 4.13Å; T322-M324 PolarHBondContact O-N 3.39Å
323	K	94.9	Very high	95.8	Very high	104 Å²	104	61.8 Å²	61.8	45%	0.452	33%	0.332	S	S	.	.			trans	-69.6	120	174.2	-76.6	-158.1	174.5	-158.3	0	110.6	D287 F288 L291	D287-K323 WeakPolarHBondContact O-CD 3.47Å; D287-K323 PolarHBondContact O-NZ 3.03Å; D287-K323 IonicContact OD1-NZ 2.63Å; D287-K323 PolarHBondContact OD1-NZ 3.5Å; F288-K323 HydrophobicContact CE1-CB 4.43Å; L291-K323 HydrophobicContact CD1-CB 3.73Å; L291-K323 HydrophobicContact CD1-CD 4.14Å
324	M	97.1	Very high	95.6	Very high	19 Å²	19	59.7 Å²	59.7	9%	0.094	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.6	174.8	-64.2	158.5	73.3	0	0	107.4	V238 L240 L253 V315 F319 T322	V238-M324 HydrophobicContact CG1-CE 4.13Å; L240-M324 HydrophobicContact CD2-CE 3.75Å; L240-M324 HydrophobicContact CG-CE 3.81Å; L240-M324 HydrophobicContact CG-CG 4.43Å; L253-M324 HydrophobicContact CD2-CE 3.78Å; V315-M324 HydrophobicContact CG1-SD 4.37Å; V315-M324 HydrophobicContact CG2-CE 4.18Å; F319-M324 HydrophobicContact CB-SD 3.78Å; F319-M324 HydrophobicContact CD1-SD 4.45Å; F319-M324 HydrophobicContact CD2-CE 4.44Å; F319-M324 HydrophobicContact CD2-SD 4.49Å; F319-M324 HydrophobicContact CG-CE 4.44Å; F319-M324 HydrophobicContact CG-SD 4Å; T322-M324 HydrophobicContact CG2-CG 4.13Å; T322-M324 HydrophobicContact CG2-SD 4.13Å; T322-M324 PolarHBondContact O-N 3.39Å
325	F	98.3	Very high	95.5	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.035	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.9	165.1	174.3	-93.1	0	0	0	108.7	L237 V238 V239 F281 F288 D336	L237-F325 HydrophobicContact CB-CE1 4.35Å; L237-F325 HydrophobicContact CD2-CD1 4.4Å; L237-F325 HydrophobicContact CD2-CE1 4.04Å; L237-F325 HydrophobicContact CG-CD1 4.47Å; L237-F325 HydrophobicContact CG-CE1 4.29Å; V238-F325 CarbonylContact C-O 3.55Å; V238-F325 VanDerWaalsContact CA-O 3.26Å; V238-F325 WeakPolarHBondContact CA-O 3.45Å; V238-F325 WeakPolarHBondContact CG1-O 3.32Å; V239-F325 HydrophobicContact CB-CB 4.13Å; V239-F325 HydrophobicContact CG2-CD1 4.26Å; V239-F325 PolarHBondContact N-O 2.83Å; V239-F325 PolarHBondContact O-N 2.74Å; F281-F325 HydrophobicContact CB-CD2 4.08Å; F281-F325 HydrophobicContact CB-CE2 4.15Å; F281-F325 HydrophobicContact CD1-CB 3.88Å; F281-F325 AromaticContact CD1-CD1 3.84Å; F281-F325 HydrophobicContact CD1-CD1 3.84Å; F281-F325 AromaticContact CD1-CD2 3.29Å; F281-F325 HydrophobicContact CD1-CD2 3.29Å; F281-F325 HydrophobicContact CD1-CE1 4.19Å; F281-F325 AromaticContact CD1-CE2 3.69Å; F281-F325 HydrophobicContact CD1-CE2 3.69Å; F281-F325 AromaticContact CD1-CG 3.37Å; F281-F325 HydrophobicContact CD1-CG 3.37Å; F281-F325 HydrophobicContact CD1-CZ 4.11Å; F281-F325 HydrophobicContact CE1-CB 3.67Å; F281-F325 AromaticContact CE1-CD1 3.83Å; F281-F325 HydrophobicContact CE1-CD1 3.83Å; F281-F325 AromaticContact CE1-CD2 3.97Å; F281-F325 HydrophobicContact CE1-CD2 3.97Å; F281-F325 HydrophobicContact CE1-CE1 4.48Å; F281-F325 AromaticContact CE1-CG 3.53Å; F281-F325 HydrophobicContact CE1-CG 3.53Å; F281-F325 AromaticContact CG-CD2 3.93Å; F281-F325 HydrophobicContact CG-CD2 3.93Å; F281-F325 HydrophobicContact CG-CE2 4.33Å; F281-F325 HydrophobicContact CG-CG 4.33Å; F281-F325 HydrophobicContact CZ-CB 4.31Å; F288-F325 HydrophobicContact CE1-CB 4.49Å; F288-F325 HydrophobicContact CE2-CB 4.04Å; F288-F325 AromaticContact CE2-CD2 3.92Å; F288-F325 HydrophobicContact CE2-CD2 3.92Å; F288-F325 HydrophobicContact CE2-CG 4.49Å; F288-F325 HydrophobicContact CZ-CB 3.97Å; F288-F325 HydrophobicContact CZ-CD2 4.43Å; F325-D336 HydrophobicContact CE1-CB 4.39Å; F325-D336 HydrophobicContact CZ-CB 4.46Å
326	V	98.3	Very high	95.4	Very high	20 Å²	20	60.2 Å²	60.2	12%	0.121	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.1	167.5	-174.1	0	0	0	0	106.2	L237 V238 C311 Q312 V315	L237-V326 CarbonylContact O-C 3.58Å; L237-V326 WeakPolarHBondContact O-CA 3.33Å; V238-V326 HydrophobicContact CG1-CG2 4.42Å; V238-V326 HydrophobicContact CG2-CG1 4.47Å; V238-V326 HydrophobicContact CG2-CG2 4.48Å; C311-V326 HydrophobicContact CB-CG1 4.21Å; Q312-V326 HydrophobicContact CG-CB 4.41Å; Q312-V326 HydrophobicContact CG-CG1 3.79Å; V315-V326 HydrophobicContact CB-CG2 4.23Å; V315-V326 HydrophobicContact CG1-CG2 4.13Å; V315-V326 HydrophobicContact CG2-CG2 3.92Å
327	S	98.1	Very high	95.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.306	C	S	.	.			trans	-51.5	145	173.3	-73.1	0	0	0	0	111.6	L237 V308 Q312 A333 D336	L237-S327 PolarHBondContact N-OG 3.01Å; L237-S327 PolarHBondContact O-N 2.86Å; V308-S327 VanDerWaalsContact CG1-O 3.32Å; V308-S327 WeakPolarHBondContact CG1-O 3.2Å; Q312-S327 PolarHBondContact NE2-O 3.35Å; S327-A333 VanDerWaalsContact CB-CB 3.48Å; S327-A333 WeakPolarHBondContact OG-CA 3.37Å; S327-A333 WeakPolarHBondContact OG-CB 2.98Å; S327-D336 VanDerWaalsContact CB-OD2 3.29Å; S327-D336 WeakPolarHBondContact CB-OD2 3.41Å; S327-D336 PolarHBondContact OG-OD2 2.83Å
328	E	96.8	Very high	95.4	Very high	120 Å²	120	52.2 Å²	52.2	56%	0.561	30%	0.296	S	S	*	.	S	Bend	trans	-81.9	-41.4	-171.4	178.4	146.5	-124.7	0	0	113.3	K284 Q312	K284-E328 IonicContact NZ-OE1 3.09Å; K284-E328 PolarHBondContact NZ-OE1 2.87Å; K284-E328 IonicContact NZ-OE2 2.66Å; K284-E328 PolarHBondContact NZ-OE2 3.06Å; Q312-E328 PolarHBondContact NE2-O 2.86Å
329	S	96.9	Very high	95.4	Very high	33 Å²	33	51.2 Å²	51.2	23%	0.231	29%	0.294	C	S	.	.			trans	-150.2	163.7	-178.1	81.8	0	0	0	0	111.3	E331 T332 A333	S329-E331 WeakPolarHBondContact CB-OE2 3.38Å; S329-E331 PolarHBondContact O-N 3.36Å; S329-E331 PolarHBondContact OG-N 2.9Å; S329-E331 PolarHBondContact OG-OE2 3.42Å; S329-T332 PolarHBondContact N-OG1 3.34Å; S329-T332 VanDerWaalsContact N-OG1 3.09Å; S329-T332 PolarHBondContact O-N 2.95Å; S329-T332 VanDerWaalsContact O-N 3.17Å; S329-T332 PolarHBondContact O-OG1 2.93Å; S329-T332 VanDerWaalsContact O-OG1 3.04Å; S329-T332 PolarHBondContact OG-N 2.98Å; S329-T332 PolarHBondContact OG-OG1 3.3Å; S329-A333 WeakPolarHBondContact O-CB 3.46Å; S329-A333 PolarHBondContact O-N 3.13Å
330	K	96	Very high	95.4	Very high	70 Å²	70	50.9 Å²	50.9	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-54.2	-39.4	175.5	174.2	169.8	-173.9	154.1	0	112.4	D233 E234 T332	D233-K330 VanDerWaalsContact OD1-CE 3.26Å; D233-K330 WeakPolarHBondContact OD1-CE 3.23Å; D233-K330 IonicContact OD1-NZ 2.87Å; D233-K330 PolarHBondContact OD1-NZ 3.02Å; D233-K330 IonicContact OD2-NZ 2.69Å; E234-K330 HydrophobicContact CB-CD 3.99Å; E234-K330 HydrophobicContact CB-CG 4.17Å; E234-K330 HydrophobicContact CG-CB 4.25Å; E234-K330 HydrophobicContact CG-CD 4.05Å; E234-K330 HydrophobicContact CG-CG 3.9Å; E234-K330 IonicContact OE2-NZ 3.92Å; K330-T332 VanDerWaalsContact C-N 3.31Å; K330-T332 PolarHBondContact O-N 3.41Å
331	E	96.3	Very high	95.5	Very high	149 Å²	149	44.9 Å²	44.9	70%	0.696	26%	0.259	S	S	*	.	H	α-helix	trans	-72.2	-24.2	-176.4	-52.1	72	-154.8	0	0	113	S329	S329-E331 WeakPolarHBondContact CB-OE2 3.38Å; S329-E331 PolarHBondContact O-N 3.36Å; S329-E331 PolarHBondContact OG-N 2.9Å; S329-E331 PolarHBondContact OG-OE2 3.42Å
332	T	95.3	Very high	95.5	Very high	36 Å²	36	45.9 Å²	45.9	22%	0.221	25%	0.246	C	C	.	.	H	α-helix	trans	-98.5	-28.8	-177.6	48.1	0	0	0	0	113	R282 S329 K330 S334 G335 D336	R282-T332 PolarHBondContact NH2-O 3.38Å; S329-T332 PolarHBondContact N-OG1 3.34Å; S329-T332 VanDerWaalsContact N-OG1 3.09Å; S329-T332 PolarHBondContact O-N 2.95Å; S329-T332 VanDerWaalsContact O-N 3.17Å; S329-T332 PolarHBondContact O-OG1 2.93Å; S329-T332 VanDerWaalsContact O-OG1 3.04Å; S329-T332 PolarHBondContact OG-N 2.98Å; S329-T332 PolarHBondContact OG-OG1 3.3Å; K330-T332 VanDerWaalsContact C-N 3.31Å; K330-T332 PolarHBondContact O-N 3.41Å; T332-S334 PolarHBondContact O-N 2.89Å; T332-G335 PolarHBondContact O-N 3.41Å; T332-G335 VanDerWaalsContact O-N 3.12Å; T332-D336 PolarHBondContact O-N 3.27Å
333	A	96.1	Very high	95.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-36.9	-171.2	0	0	0	0	0	115.2	S235 V308 S327 S329 G335 D336 V337	S235-A333 WeakPolarHBondContact O-CB 3.47Å; V308-A333 HydrophobicContact CG2-CB 4.02Å; S327-A333 VanDerWaalsContact CB-CB 3.48Å; S327-A333 WeakPolarHBondContact OG-CA 3.37Å; S327-A333 WeakPolarHBondContact OG-CB 2.98Å; S329-A333 WeakPolarHBondContact O-CB 3.46Å; S329-A333 PolarHBondContact O-N 3.13Å; A333-G335 VanDerWaalsContact C-N 3.33Å; A333-G335 PolarHBondContact O-N 3.16Å; A333-D336 WeakPolarHBondContact O-CB 3.49Å; A333-D336 PolarHBondContact O-N 3.17Å; A333-V337 WeakPolarHBondContact O-CG2 3.37Å; A333-V337 PolarHBondContact O-N 3.26Å
334	S	94	Very high	95	Very high	59 Å²	59	38.1 Å²	38.1	41%	0.413	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-44.7	173.5	51.4	0	0	0	0	111.2	T332 D336 V337 D338	T332-S334 PolarHBondContact O-N 2.89Å; S334-D336 VanDerWaalsContact C-N 3.3Å; S334-D336 PolarHBondContact O-N 2.94Å; S334-V337 PolarHBondContact O-N 3Å; S334-D338 WeakPolarHBondContact O-CB 3.37Å; S334-D338 VanDerWaalsContact O-CG 3.31Å; S334-D338 PolarHBondContact O-N 3.37Å
335	G	95.3	Very high	94.3	Very high	23 Å²	23	41.5 Å²	41.5	24%	0.237	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-30.3	174	0	0	0	0	0	113.9	T332 A333 S339	T332-G335 PolarHBondContact O-N 3.41Å; T332-G335 VanDerWaalsContact O-N 3.12Å; A333-G335 VanDerWaalsContact C-N 3.33Å; A333-G335 PolarHBondContact O-N 3.16Å; G335-S339 WeakPolarHBondContact O-CB 3.49Å; G335-S339 PolarHBondContact O-N 3.37Å; G335-S339 PolarHBondContact O-OG 3.02Å
336	D	96.3	Very high	93.5	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.032	25%	0.251	C	S	.	.	H	α-helix	trans	-69.7	-47.8	173	-57.5	-23.3	0	0	0	111	L237 R282 F325 S327 T332 A333 S334 S339 F340	L237-D336 HydrophobicContact CB-CB 4.14Å; L237-D336 HydrophobicContact CD2-CB 3.93Å; R282-D336 IonicContact CZ-OD1 3.82Å; R282-D336 IonicContact NE-OD1 2.68Å; R282-D336 IonicContact NH2-OD1 3.73Å; R282-D336 PolarHBondContact NH2-OD1 2.95Å; F325-D336 HydrophobicContact CE1-CB 4.39Å; F325-D336 HydrophobicContact CZ-CB 4.46Å; S327-D336 VanDerWaalsContact CB-OD2 3.29Å; S327-D336 WeakPolarHBondContact CB-OD2 3.41Å; S327-D336 PolarHBondContact OG-OD2 2.83Å; T332-D336 PolarHBondContact O-N 3.27Å; A333-D336 WeakPolarHBondContact O-CB 3.49Å; A333-D336 PolarHBondContact O-N 3.17Å; S334-D336 VanDerWaalsContact C-N 3.3Å; S334-D336 PolarHBondContact O-N 2.94Å; D336-S339 PolarHBondContact O-N 3.02Å; D336-F340 WeakPolarHBondContact O-CB 3.38Å; D336-F340 PolarHBondContact O-N 3.34Å
337	V	96.2	Very high	92.3	Very high	10 Å²	10	48.7 Å²	48.7	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-53.5	175.6	167	0	0	0	0	110.4	L237 E301 A333 S334 S339 F340 Y341	L237-V337 HydrophobicContact CB-CG2 3.94Å; E301-V337 HydrophobicContact CG-CG1 4.33Å; E301-V337 HydrophobicContact CG-CG2 3.97Å; A333-V337 WeakPolarHBondContact O-CG2 3.37Å; A333-V337 PolarHBondContact O-N 3.26Å; S334-V337 PolarHBondContact O-N 3Å; V337-S339 VanDerWaalsContact C-N 3.34Å; V337-S339 PolarHBondContact O-N 2.87Å; V337-F340 WeakPolarHBondContact O-CB 3.4Å; V337-F340 PolarHBondContact O-N 3.09Å; V337-Y341 HydrophobicContact CG1-CD2 3.82Å; V337-Y341 HydrophobicContact CG1-CE2 3.95Å; V337-Y341 VanDerWaalsContact O-CD2 3.27Å; V337-Y341 WeakPolarHBondContact O-CD2 3.42Å; V337-Y341 PolarHBondContact O-N 2.95Å
338	D	94.8	Very high	90.7	Very high	97 Å²	97	52 Å²	52	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-46	177.5	-70.4	-19.3	0	0	0	110.7	S334 F340 N342	S334-D338 WeakPolarHBondContact O-CB 3.37Å; S334-D338 VanDerWaalsContact O-CG 3.31Å; S334-D338 PolarHBondContact O-N 3.37Å; D338-F340 PolarHBondContact O-N 2.92Å; D338-N342 WeakPolarHBondContact O-CB 3.47Å; D338-N342 VanDerWaalsContact O-CG 3.25Å; D338-N342 PolarHBondContact O-N 3.02Å; D338-N342 PolarHBondContact O-ND2 3.4Å
339	S	94.7	Very high	88.7	Confident	28 Å²	28	49.6 Å²	49.6	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-27.7	177.4	-66.3	0	0	0	0	112.7	R279 G335 D336 V337	R279-S339 PolarHBondContact NE-O 3.29Å; R279-S339 PolarHBondContact NH2-O 2.92Å; G335-S339 WeakPolarHBondContact O-CB 3.49Å; G335-S339 PolarHBondContact O-N 3.37Å; G335-S339 PolarHBondContact O-OG 3.02Å; D336-S339 PolarHBondContact O-N 3.02Å; V337-S339 VanDerWaalsContact C-N 3.34Å; V337-S339 PolarHBondContact O-N 2.87Å
340	F	95.6	Very high	85.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-77.9	-57.5	177.2	-171.4	-83	0	0	0	111.5	L237 V239 K268 L270 M272 V280 V297 A299 D336 V337 D338 N342 F343 A344	L237-F340 HydrophobicContact CD1-CB 4.45Å; L237-F340 HydrophobicContact CD1-CG 4.38Å; L237-F340 HydrophobicContact CD2-CB 3.85Å; L237-F340 HydrophobicContact CD2-CD2 4.25Å; L237-F340 HydrophobicContact CD2-CG 4.26Å; V239-F340 HydrophobicContact CG1-CE2 4.43Å; V239-F340 HydrophobicContact CG2-CD2 4.04Å; V239-F340 HydrophobicContact CG2-CE2 3.98Å; K268-F340 HydrophobicContact CB-CE1 3.89Å; K268-F340 HydrophobicContact CG-CE1 4.37Å; L270-F340 HydrophobicContact CD2-CE1 3.86Å; L270-F340 HydrophobicContact CD2-CZ 3.67Å; M272-F340 HydrophobicContact CE-CD2 4.27Å; M272-F340 HydrophobicContact CE-CE2 4.27Å; V280-F340 HydrophobicContact CG1-CB 4.4Å; V280-F340 HydrophobicContact CG1-CD2 4.4Å; V280-F340 HydrophobicContact CG2-CB 4.19Å; V280-F340 HydrophobicContact CG2-CD2 4.3Å; V297-F340 HydrophobicContact CG2-CE2 4.26Å; V297-F340 HydrophobicContact CG2-CZ 4.34Å; A299-F340 HydrophobicContact CB-CD1 4.03Å; A299-F340 HydrophobicContact CB-CD2 4.32Å; A299-F340 HydrophobicContact CB-CE1 3.42Å; A299-F340 VanDerWaalsContact CB-CE1 3.42Å; A299-F340 HydrophobicContact CB-CE2 3.75Å; A299-F340 HydrophobicContact CB-CG 4.46Å; A299-F340 HydrophobicContact CB-CZ 3.27Å; D336-F340 WeakPolarHBondContact O-CB 3.38Å; D336-F340 PolarHBondContact O-N 3.34Å; V337-F340 WeakPolarHBondContact O-CB 3.4Å; V337-F340 PolarHBondContact O-N 3.09Å; D338-F340 PolarHBondContact O-N 2.92Å; F340-N342 VanDerWaalsContact C-N 3.27Å; F340-N342 PolarHBondContact O-N 3.38Å; F340-F343 HydrophobicContact CB-CE1 4.4Å; F340-F343 AromaticContact CD2-CE1 3.64Å; F340-F343 HydrophobicContact CD2-CE1 3.64Å; F340-F343 HydrophobicContact CD2-CZ 4.04Å; F340-F343 AromaticContact CE2-CE1 3.89Å; F340-F343 HydrophobicContact CE2-CE1 3.89Å; F340-F343 AromaticContact CE2-CZ 3.78Å; F340-F343 HydrophobicContact CE2-CZ 3.78Å; F340-F343 AromaticContact CG-CE1 3.97Å; F340-F343 HydrophobicContact CG-CE1 3.97Å; F340-F343 HydrophobicContact CZ-CE1 4.41Å; F340-F343 HydrophobicContact CZ-CZ 4.14Å; F340-F343 WeakPolarHBondContact O-CD1 3.4Å; F340-F343 WeakPolarHBondContact O-CE1 3.11Å; F340-F343 PolarHBondContact O-N 3.44Å; F340-F343 VanDerWaalsContact O-N 3.11Å; F340-A344 HydrophobicContact CE1-CB 4.24Å; F340-A344 PolarHBondContact O-N 3.44Å; F340-A344 VanDerWaalsContact O-N 3.15Å
341	Y	91.8	Very high	85.4	Confident	18 Å²	18	56.7 Å²	56.7	7%	0.071	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-32.3	-175.9	-69.6	-71.9	0	0	0	112.4	Q266 K268 E301 V337 F343 A344 D345	Q266-Y341 VanDerWaalsContact CD-CZ 3.46Å; Q266-Y341 HydrophobicContact CG-CE1 4.37Å; Q266-Y341 HydrophobicContact CG-CE2 4.22Å; Q266-Y341 WeakPolarHBondContact CG-OH 3.41Å; K268-Y341 HydrophobicContact CB-CE1 4.17Å; K268-Y341 HydrophobicContact CD-CE1 4.24Å; K268-Y341 HydrophobicContact CG-CE1 4.49Å; E301-Y341 HydrophobicContact CB-CE2 4.47Å; V337-Y341 HydrophobicContact CG1-CD2 3.82Å; V337-Y341 HydrophobicContact CG1-CE2 3.95Å; V337-Y341 VanDerWaalsContact O-CD2 3.27Å; V337-Y341 WeakPolarHBondContact O-CD2 3.42Å; V337-Y341 PolarHBondContact O-N 2.95Å; Y341-F343 VanDerWaalsContact C-N 3.26Å; Y341-F343 PolarHBondContact O-N 3.33Å; Y341-F343 VanDerWaalsContact O-N 3.15Å; Y341-A344 PolarHBondContact O-N 2.6Å; Y341-D345 WeakPolarHBondContact O-CB 3.32Å; Y341-D345 PolarHBondContact O-N 3.44Å
342	N	90	Very high	84.9	Confident	98 Å²	98	51.8 Å²	51.8	52%	0.524	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-23.7	174.2	-82.6	-53.4	0	0	0	115	R279 D338 F340 I346	R279-N342 VanDerWaalsContact NH2-C 3.31Å; D338-N342 WeakPolarHBondContact O-CB 3.47Å; D338-N342 VanDerWaalsContact O-CG 3.25Å; D338-N342 PolarHBondContact O-N 3.02Å; D338-N342 PolarHBondContact O-ND2 3.4Å; F340-N342 VanDerWaalsContact C-N 3.27Å; F340-N342 PolarHBondContact O-N 3.38Å; N342-I346 WeakPolarHBondContact O-CD1 3.07Å; N342-I346 VanDerWaalsContact O-CG1 3.25Å; N342-I346 WeakPolarHBondContact O-CG1 3.44Å
343	F	89.3	Confident	84.3	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-97.4	-35.1	171.4	81.3	-85.6	0	0	0	111.5	L270 M272 D276 R279 V280 F340 Y341 D345 I346 Q347	L270-F343 HydrophobicContact CD1-CD2 3.97Å; L270-F343 HydrophobicContact CD1-CE2 3.37Å; L270-F343 HydrophobicContact CD1-CZ 3.99Å; L270-F343 HydrophobicContact CG-CE2 4.37Å; M272-F343 HydrophobicContact CB-CE2 4.32Å; M272-F343 HydrophobicContact CB-CZ 4.27Å; M272-F343 HydrophobicContact CE-CE1 3.79Å; M272-F343 HydrophobicContact CE-CZ 3.71Å; M272-F343 HydrophobicContact CG-CE2 4.06Å; M272-F343 HydrophobicContact CG-CZ 3.77Å; M272-F343 HydrophobicContact SD-CZ 4.37Å; D276-F343 HydrophobicContact CB-CD1 4.09Å; D276-F343 HydrophobicContact CB-CD2 3.73Å; D276-F343 HydrophobicContact CB-CE1 4.13Å; D276-F343 HydrophobicContact CB-CE2 3.74Å; D276-F343 HydrophobicContact CB-CG 3.93Å; D276-F343 HydrophobicContact CB-CZ 3.97Å; D276-F343 VanDerWaalsContact CG-CD2 3.43Å; R279-F343 VanDerWaalsContact NH2-CB 3.34Å; V280-F343 HydrophobicContact CG2-CD1 4.24Å; V280-F343 HydrophobicContact CG2-CE1 3.89Å; F340-F343 HydrophobicContact CB-CE1 4.4Å; F340-F343 AromaticContact CD2-CE1 3.64Å; F340-F343 HydrophobicContact CD2-CE1 3.64Å; F340-F343 HydrophobicContact CD2-CZ 4.04Å; F340-F343 AromaticContact CE2-CE1 3.89Å; F340-F343 HydrophobicContact CE2-CE1 3.89Å; F340-F343 AromaticContact CE2-CZ 3.78Å; F340-F343 HydrophobicContact CE2-CZ 3.78Å; F340-F343 AromaticContact CG-CE1 3.97Å; F340-F343 HydrophobicContact CG-CE1 3.97Å; F340-F343 HydrophobicContact CZ-CE1 4.41Å; F340-F343 HydrophobicContact CZ-CZ 4.14Å; F340-F343 WeakPolarHBondContact O-CD1 3.4Å; F340-F343 WeakPolarHBondContact O-CE1 3.11Å; F340-F343 PolarHBondContact O-N 3.44Å; F340-F343 VanDerWaalsContact O-N 3.11Å; Y341-F343 VanDerWaalsContact C-N 3.26Å; Y341-F343 PolarHBondContact O-N 3.33Å; Y341-F343 VanDerWaalsContact O-N 3.15Å; F343-D345 PolarHBondContact O-N 3.26Å; F343-I346 PolarHBondContact O-N 3.44Å; F343-Q347 WeakPolarHBondContact O-CB 3.26Å; F343-Q347 PolarHBondContact O-N 3.17Å
344	A	87.2	Confident	83.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.1	-40.2	177.1	0	0	0	0	0	111.8	K268 L270 F340 Y341 Q347 I348	K268-A344 HydrophobicContact CG-CB 4.21Å; L270-A344 HydrophobicContact CD1-CB 3.85Å; L270-A344 HydrophobicContact CD2-CB 3.91Å; F340-A344 HydrophobicContact CE1-CB 4.24Å; F340-A344 PolarHBondContact O-N 3.44Å; F340-A344 VanDerWaalsContact O-N 3.15Å; Y341-A344 PolarHBondContact O-N 2.6Å; A344-Q347 PolarHBondContact O-N 3.26Å; A344-I348 WeakPolarHBondContact O-CB 3.36Å; A344-I348 WeakPolarHBondContact O-CD1 3.33Å; A344-I348 VanDerWaalsContact O-CG1 3.26Å; A344-I348 WeakPolarHBondContact O-CG1 3.29Å; A344-I348 PolarHBondContact O-N 2.7Å
345	D	82.9	Confident	82.9	Confident	89 Å²	89	55.6 Å²	55.6	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-77.6	-31.7	179.4	-64.6	-17.9	0	0	0	112.5	K268 Y341 F343 Q347 I348 G349	K268-D345 IonicContact NZ-OD1 2.68Å; K268-D345 PolarHBondContact NZ-OD1 3.08Å; K268-D345 VanDerWaalsContact NZ-OD1 3.09Å; Y341-D345 WeakPolarHBondContact O-CB 3.32Å; Y341-D345 PolarHBondContact O-N 3.44Å; F343-D345 PolarHBondContact O-N 3.26Å; D345-Q347 VanDerWaalsContact C-N 3.33Å; D345-I348 PolarHBondContact O-N 3.06Å; D345-G349 PolarHBondContact O-N 2.57Å
346	I	80.9	Confident	82.1	Confident	113 Å²	113	57.8 Å²	57.8	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-64.4	-39	170.6	-68.5	173.6	0	0	0	111	N342 F343 I348	N342-I346 WeakPolarHBondContact O-CD1 3.07Å; N342-I346 VanDerWaalsContact O-CG1 3.25Å; N342-I346 WeakPolarHBondContact O-CG1 3.44Å; F343-I346 PolarHBondContact O-N 3.44Å; I346-I348 VanDerWaalsContact C-N 3.32Å
347	Q	74.4	Confident	81.1	Confident	67 Å²	67	61.5 Å²	61.5	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-75.8	-19.8	-178.4	-175.4	170.5	-10.5	0	0	113.5	S271 F343 A344 D345	S271-Q347 PolarHBondContact O-NE2 3.25Å; S271-Q347 PolarHBondContact O-OE1 3.06Å; F343-Q347 WeakPolarHBondContact O-CB 3.26Å; F343-Q347 PolarHBondContact O-N 3.17Å; A344-Q347 PolarHBondContact O-N 3.26Å; D345-Q347 VanDerWaalsContact C-N 3.33Å
348	I	63.8	Low	80	Confident	69 Å²	69	65.5 Å²	65.5	35%	0.354	37%	0.368	S	S	.	.	H	α-helix	trans	-103.2	-18.4	179.4	-66.1	167.4	0	0	0	111.8	A344 D345 I346 I350	A344-I348 WeakPolarHBondContact O-CB 3.36Å; A344-I348 WeakPolarHBondContact O-CD1 3.33Å; A344-I348 VanDerWaalsContact O-CG1 3.26Å; A344-I348 WeakPolarHBondContact O-CG1 3.29Å; A344-I348 PolarHBondContact O-N 2.7Å; D345-I348 PolarHBondContact O-N 3.06Å; I346-I348 VanDerWaalsContact C-N 3.32Å; I348-I350 PolarHBondContact O-N 2.81Å
349	G	54.1	Low	78.7	Confident	70 Å²	70	62.8 Å²	62.8	72%	0.722	36%	0.355	S	S	*	.			trans	-77.2	6.2	171.6	0	0	0	0	0	115.1	D345	D345-G349 PolarHBondContact O-N 2.57Å
350	I	39.9	Very low	77.3	Confident	195 Å²	195	66 Å²	66	100%	1	37%	0.37	S	S	*	.			trans	-114.9	0	174	-59.1	173.9	0	0	0	108.4	I348	I348-I350 PolarHBondContact O-N 2.81Å

Retrieved 350 of 350 residues in 82.7 ms (Link to these results)

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