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4-aminobutyrate aminotransferase, mitochondrial

Catalyzes the conversion of gamma-aminobutyrate and L-beta-aminoisobutyrate to succinate semialdehyde and methylmalonate semialdehyde, respectively. Can also convert delta-aminovalerate and beta-alanine.

AlphaFold DB , UniProt , Accession X5D2Y3, Species HUMAN (Homo sapiens, Human), Gene ABAT, Length 357 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	35.1	Very low	30.1	Very low	242 Å²	242	158.6 Å²	158.6	100%	1.192	87%	0.866	S	S	*	*				0	126.4	0	-84.7	-163.9	-108.8	0	0	107.9
2	A	28.8	Very low	29.9	Very low	102 Å²	102	156.4 Å²	156.4	84%	0.843	87%	0.868	S	S	*	*			trans	60.5	122.4	-178.4	0	0	0	0	0	115.9
3	S	29.2	Very low	29.6	Very low	105 Å²	105	153.8 Å²	153.8	73%	0.734	87%	0.867	S	S	*	*			cis	-167.9	121.7	-4.2	37.1	0	0	0	0	106.7
4	M	33.7	Very low	29.5	Very low	184 Å²	184	158.1 Å²	158.1	91%	0.906	87%	0.872	S	S	*	*			trans	-40.2	130.9	144.1	-84.4	170.3	157.9	0	0	109.8
5	L	28.9	Very low	29.6	Very low	160 Å²	160	160.7 Å²	160.7	84%	0.838	88%	0.875	S	S	*	*			trans	169.4	108.6	150.3	-93.7	153.1	0	0	0	110
6	L	30.2	Very low	29.6	Very low	179 Å²	179	161.6 Å²	161.6	94%	0.937	87%	0.871	S	S	*	*			trans	157.8	54.2	144.8	-86.1	149.4	0	0	0	110.5
7	A	29.6	Very low	29.7	Very low	91 Å²	91	157.2 Å²	157.2	75%	0.752	86%	0.855	S	S	*	*			trans	-115.6	109	152.5	0	0	0	0	0	105.7
8	Q	29.1	Very low	29.5	Very low	186 Å²	186	161.4 Å²	161.4	87%	0.869	86%	0.859	S	S	*	*			trans	141.7	103.5	163.4	-83.5	173.5	-0.7	0	0	110.3
9	R	30	Very low	29.6	Very low	244 Å²	244	165.6 Å²	165.6	92%	0.921	86%	0.861	S	S	*	*			trans	177.1	97.1	135.5	-98.8	172	-168.7	-122.6	3.6	107.6
10	L	29.3	Very low	29.6	Very low	183 Å²	183	165.3 Å²	165.3	96%	0.958	86%	0.86	S	S	*	*			trans	-174.2	78.3	150.2	-99.7	152.1	0	0	0	108.1
11	A	27.2	Very low	29.6	Very low	69 Å²	69	165.1 Å²	165.1	57%	0.57	86%	0.86	S	S	*	*			trans	-155.5	137	157.4	0	0	0	0	0	108.8
12	C	27.3	Very low	29.5	Very low	132 Å²	132	159.3 Å²	159.3	89%	0.892	84%	0.837	S	S	*	*			trans	77.1	96.9	175.8	-71.5	0	0	0	0	118.4
13	S	26.8	Very low	29.6	Very low	122 Å²	122	160 Å²	160	85%	0.853	83%	0.833	S	S	*	*				-152.2	106	114.7	47.5	0	0	0	0	110.2
14	F	28	Very low	29.6	Very low	214 Å²	214	158.2 Å²	158.2	94%	0.939	83%	0.831	S	S	*	*			trans	-106.4	115.4	155.9	-106.2	-86.6	0	0	0	105.1
15	Q	30.6	Very low	29.5	Very low	197 Å²	197	154.2 Å²	154.2	92%	0.921	82%	0.822	S	S	*	*			trans	-162.1	153.3	150.2	-111.6	175.2	1.4	0	0	111.6
16	H	29.6	Very low	29.6	Very low	176 Å²	176	157.7 Å²	157.7	82%	0.815	82%	0.824	S	S	*	*			trans	-62	145.2	-156.5	-96.4	27.3	0	0	0	118.9
17	S	31.2	Very low	29.7	Very low	86 Å²	86	157.7 Å²	157.7	60%	0.601	82%	0.818	S	S	*	*				56.1	113.3	128.9	-50.9	0	0	0	0	120.5
18	Y	27.1	Very low	29.9	Very low	233 Å²	233	160.1 Å²	160.1	91%	0.914	82%	0.817	S	S	*	*				-150.5	115	121.2	-86.4	-74.4	0	0	0	109.4	L20	Y18-L20 PolarHBondContact O-N 3.27Å
19	R	30.5	Very low	30.3	Very low	241 Å²	241	156.6 Å²	156.6	91%	0.909	81%	0.813	S	S	*	*			trans	-71.1	107.4	170.2	-85.4	-178.7	174.4	-170.5	-2	108.7
20	L	30.2	Very low	30.7	Very low	159 Å²	159	153.3 Å²	153.3	83%	0.832	81%	0.808	S	S	*	*			trans	-93.7	104.1	157.3	-83.7	158.5	0	0	0	107.6	Y18 V22	Y18-L20 PolarHBondContact O-N 3.27Å; L20-V22 PolarHBondContact O-N 2.96Å; L20-V22 VanDerWaalsContact O-N 3.09Å
21	L	30	Very low	31.4	Very low	163 Å²	163	149.2 Å²	149.2	85%	0.853	80%	0.801	S	S	*	*			trans	-66.5	97.5	166.8	-89.7	145.4	0	0	0	108
22	V	31.5	Very low	32.1	Very low	119 Å²	119	150.5 Å²	150.5	72%	0.721	81%	0.811	S	S	*	*			trans	-91.8	126.7	162.3	-175.7	0	0	0	0	106.5	L20 G24	L20-V22 PolarHBondContact O-N 2.96Å; L20-V22 VanDerWaalsContact O-N 3.09Å; V22-G24 PolarHBondContact O-N 3.09Å
23	P	32.3	Very low	32.7	Very low	116 Å²	116	148.1 Å²	148.1	75%	0.753	80%	0.801	S	S	*	*			trans	-65.8	106.2	176.3	25.7	-29.1	0	0	0	108.1	S25	P23-S25 PolarHBondContact O-N 2.95Å; P23-S25 VanDerWaalsContact O-N 3.1Å
24	G	29.6	Very low	33.4	Very low	68 Å²	68	152.6 Å²	152.6	70%	0.701	81%	0.805	S	S	*	*			trans	-67.2	106	170.8	0	0	0	0	0	108.8	V22 R26	V22-G24 PolarHBondContact O-N 3.09Å; G24-R26 PolarHBondContact O-N 3.1Å
25	S	30.5	Very low	34.1	Very low	101 Å²	101	147.9 Å²	147.9	71%	0.706	79%	0.794	S	S	*	*			trans	-58.1	104.1	163	-68.6	0	0	0	0	107.7	P23 H27	P23-S25 PolarHBondContact O-N 2.95Å; P23-S25 VanDerWaalsContact O-N 3.1Å; S25-H27 VanDerWaalsContact C-N 3.35Å; S25-H27 PolarHBondContact O-N 2.9Å
26	R	31.4	Very low	34.9	Very low	232 Å²	232	146.6 Å²	146.6	88%	0.875	79%	0.793	S	S	*	*			trans	-64.8	100.6	165.8	-73.4	-176.3	-178.5	-168.7	0	106.6	G24 I28	G24-R26 PolarHBondContact O-N 3.1Å; R26-I28 PolarHBondContact O-N 2.98Å
27	H	31.6	Very low	36.1	Very low	179 Å²	179	142.9 Å²	142.9	83%	0.829	78%	0.783	S	S	*	*			trans	-69	88.5	158.5	-73.5	-63.1	0	0	0	106.8	S25 S29	S25-H27 VanDerWaalsContact C-N 3.35Å; S25-H27 PolarHBondContact O-N 2.9Å; H27-S29 PolarHBondContact O-N 2.76Å; H27-S29 VanDerWaalsContact O-N 3.15Å
28	I	33.9	Very low	37.8	Very low	142 Å²	142	147.6 Å²	147.6	73%	0.728	80%	0.795	S	S	*	*			trans	-56.7	116.5	159.5	-61.7	172.9	0	0	0	104.4	R26 Q30	R26-I28 PolarHBondContact O-N 2.98Å; I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 PolarHBondContact O-N 2.67Å
29	S	38.8	Very low	40.6	Very low	112 Å²	112	138.5 Å²	138.5	78%	0.783	76%	0.761	S	S	*	*			trans	-53.4	104.8	169.6	-175	0	0	0	0	106.6	H27 A31	H27-S29 PolarHBondContact O-N 2.76Å; H27-S29 VanDerWaalsContact O-N 3.15Å; S29-A31 PolarHBondContact O-N 2.77Å
30	Q	38.1	Very low	43.6	Very low	176 Å²	176	129.5 Å²	129.5	82%	0.822	73%	0.731	S	S	*	*			trans	-59.7	125	171	-76	-179.3	-18.2	0	0	105.4	I28 A32	I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 PolarHBondContact O-N 2.67Å; Q30-A32 PolarHBondContact O-N 3.26Å
31	A	43.1	Very low	46.7	Very low	96 Å²	96	124.3 Å²	124.3	79%	0.793	70%	0.7	S	S	*	*			trans	-42	121.3	169.3	0	0	0	0	0	107.6	S29 A33	S29-A31 PolarHBondContact O-N 2.77Å; A31-A33 PolarHBondContact O-N 2.74Å; A31-A33 VanDerWaalsContact O-N 3.08Å
32	A	42.2	Very low	49.9	Very low	96 Å²	96	124.7 Å²	124.7	79%	0.793	70%	0.703	S	S	*	*			trans	-47.1	123.6	-174.8	0	0	0	0	0	108.5	Q30 K34	Q30-A32 PolarHBondContact O-N 3.26Å; A32-K34 PolarHBondContact O-N 2.99Å
33	A	39.1	Very low	52.9	Low	83 Å²	83	119.8 Å²	119.8	69%	0.686	68%	0.677	S	S	*	*			trans	-50.3	129	173.4	0	0	0	0	0	107.5	A31 V35	A31-A33 PolarHBondContact O-N 2.74Å; A31-A33 VanDerWaalsContact O-N 3.08Å; A33-V35 WeakPolarHBondContact O-CG2 3.42Å; A33-V35 PolarHBondContact O-N 3.41Å
34	K	41.4	Very low	56.1	Low	215 Å²	215	118.3 Å²	118.3	94%	0.935	67%	0.667	S	S	*	*			trans	-52.9	104.4	171.5	-94.1	-174.8	172.9	-175.3	0	107.4	A32	A32-K34 PolarHBondContact O-N 2.99Å
35	V	44.2	Very low	59.4	Low	116 Å²	116	119.2 Å²	119.2	70%	0.703	66%	0.655	S	S	*	*			trans	-86.9	112.5	168	-166.1	0	0	0	0	105.1	A33 V37	A33-V35 WeakPolarHBondContact O-CG2 3.42Å; A33-V35 PolarHBondContact O-N 3.41Å; V35-V37 VanDerWaalsContact C-N 3.35Å; V35-V37 HydrophobicContact CB-CG2 4.27Å; V35-V37 HydrophobicContact CG1-CG2 3.57Å; V35-V37 PolarHBondContact O-N 2.89Å
36	D	47.6	Very low	62.6	Low	169 Å²	169	119 Å²	119	90%	0.904	65%	0.645	S	S	*	*			trans	-55.9	101	161	-92.5	-30	0	0	0	108
37	V	53.2	Low	65.8	Low	99 Å²	99	114.9 Å²	114.9	60%	0.6	63%	0.633	S	S	*	*			trans	-142.3	125	161.1	-165.6	0	0	0	0	106.4	V35 F39	V35-V37 VanDerWaalsContact C-N 3.35Å; V35-V37 HydrophobicContact CB-CG2 4.27Å; V35-V37 HydrophobicContact CG1-CG2 3.57Å; V35-V37 PolarHBondContact O-N 2.89Å; V37-F39 HydrophobicContact CB-CB 4.29Å; V37-F39 HydrophobicContact CG1-CB 4.17Å; V37-F39 PolarHBondContact O-N 3.46Å
38	E	67.4	Low	69	Low	184 Å²	184	108.3 Å²	108.3	86%	0.86	61%	0.606	S	S	*	*			trans	-61.3	59.1	160	-73.6	178.2	144.1	0	0	109.8
39	F	86.2	Confident	72.1	Confident	43 Å²	43	106.8 Å²	106.8	19%	0.189	60%	0.595	C	S	.	*			trans	-82.3	-27.9	178.3	171.5	-116.5	0	0	0	110.7	V37 R81 Y107 H109 P110	V37-F39 HydrophobicContact CB-CB 4.29Å; V37-F39 HydrophobicContact CG1-CB 4.17Å; V37-F39 PolarHBondContact O-N 3.46Å; F39-R81 HydrophobicContact CD2-CG 4.19Å; F39-R81 HydrophobicContact CE2-CG 3.73Å; F39-R81 HydrophobicContact CZ-CG 4.28Å; F39-R81 WeakPolarHBondContact O-CD 3.44Å; F39-R81 WeakPolarHBondContact O-CG 3.44Å; F39-Y107 WeakPolarHBondContact CZ-O 3.32Å; F39-H109 AromaticContact CE1-CD2 3.88Å; F39-H109 HydrophobicContact CZ-CB 4.07Å; F39-H109 AromaticContact CZ-CD2 3.96Å; F39-P110 VanDerWaalsContact CD2-CD 3.45Å; F39-P110 HydrophobicContact CD2-CG 3.36Å; F39-P110 HydrophobicContact CE2-CG 3.63Å; F39-P110 HydrophobicContact CG-CG 4.27Å
40	D	93.8	Very high	74.9	Confident	51 Å²	51	104.1 Å²	104.1	27%	0.273	57%	0.574	S	S	.	*	S	Bend	trans	-109	167.8	-178	-145.4	-11	0	0	0	111.8	G82 N83 Y84	D40-G82 WeakPolarHBondContact OD1-CA 3.07Å; D40-N83 PolarHBondContact OD1-N 3.35Å; D40-N83 PolarHBondContact OD2-N 3.31Å; D40-N83 VanDerWaalsContact OD2-N 3.14Å; D40-N83 PolarHBondContact OD2-ND2 3.22Å; D40-Y84 WeakPolarHBondContact OD1-CD2 3.37Å; D40-Y84 WeakPolarHBondContact OD1-CE2 3.3Å
41	Y	95.6	Very high	77.8	Confident	50 Å²	50	97.5 Å²	97.5	20%	0.196	55%	0.547	C	S	.	.			trans	-81.5	153.9	168.2	-64.2	-80.6	0	0	0	111.3	G43 E79 R81 Y84 R92	Y41-G43 VanDerWaalsContact C-N 3.29Å; Y41-G43 PolarHBondContact O-N 2.86Å; Y41-E79 PolarHBondContact OH-O 3.26Å; Y41-R81 HydrophobicContact CD2-CB 4.08Å; Y41-R81 HydrophobicContact CE2-CB 3.59Å; Y41-Y84 AromaticContact CD2-CD2 3.97Å; Y41-Y84 HydrophobicContact CD2-CD2 3.97Å; Y41-Y84 HydrophobicContact CD2-CG 4.07Å; Y41-Y84 HydrophobicContact CG-CD2 4.33Å; Y41-Y84 WeakPolarHBondContact O-CE2 3.42Å; Y41-Y84 PolarHBondContact O-OH 3.25Å; Y41-R92 VanDerWaalsContact CD2-CD 3.43Å; Y41-R92 HydrophobicContact CD2-CG 4.47Å
42	D	95.9	Very high	80.4	Confident	171 Å²	171	93 Å²	93	91%	0.914	51%	0.509	S	S	*	.	S	Bend	trans	-73.5	-18.1	179.3	-62.8	-43.2	0	0	0	114.2
43	G	95.9	Very high	83.1	Confident	16 Å²	16	91.9 Å²	91.9	17%	0.165	49%	0.494	C	S	.	.	S	Bend	trans	176.3	166.3	-173.9	0	0	0	0	0	114.3	Y41 Y84 R92	Y41-G43 VanDerWaalsContact C-N 3.29Å; Y41-G43 PolarHBondContact O-N 2.86Å; G43-Y84 VanDerWaalsContact CA-OH 3.23Å; G43-Y84 WeakPolarHBondContact CA-OH 3.44Å; G43-Y84 PolarHBondContact N-OH 3.4Å; G43-R92 PolarHBondContact O-NE 3.38Å; G43-R92 PolarHBondContact O-NH2 3.17Å
44	P	98.3	Very high	86	Confident	85 Å²	85	94.3 Å²	94.3	55%	0.552	49%	0.485	S	S	*	.			trans	-64.6	152.9	174.3	29.3	-34.6	0	0	0	110.8	R92	P44-R92 CarbonylContact C-O 3.52Å; P44-R92 WeakPolarHBondContact CA-O 3.39Å; P44-R92 WeakPolarHBondContact CB-O 3.41Å
45	L	98.5	Very high	88.7	Confident	87 Å²	87	84 Å²	84	46%	0.455	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-143.1	102.6	177.9	-178.5	68.2	0	0	0	109.3	R92	L45-R92 HydrophobicContact CB-CB 4.19Å; L45-R92 PolarHBondContact N-O 2.84Å; L45-R92 PolarHBondContact O-N 2.79Å
46	M	98.6	Very high	91.3	Very high	98 Å²	98	83.7 Å²	83.7	48%	0.483	43%	0.427	S	S	.	.			trans	-96.1	136.7	-177.2	-53.5	-53.6	-67.8	0	0	110.7	V50 N91 M93	M46-V50 HydrophobicContact CE-CG2 3.66Å; M46-N91 HydrophobicContact CE-CB 3.78Å; M46-N91 HydrophobicContact SD-CB 4.16Å; M46-M93 HydrophobicContact CE-CG 4.03Å; M46-M93 HydrophobicContact CE-SD 4.47Å; M46-M93 HydrophobicContact SD-CG 3.88Å
47	K	98.4	Very high	93.7	Very high	144 Å²	144	79.6 Å²	79.6	63%	0.626	40%	0.402	S	S	*	.			trans	-116.9	-31	178	-64.3	-176.9	-175.9	168.1	0	112.4	G90 N91	K47-G90 WeakPolarHBondContact CD-O 3.48Å; K47-G90 WeakPolarHBondContact CE-O 3.3Å; K47-N91 PolarHBondContact N-OD1 3.34Å
48	T	98.6	Very high	95.9	Very high	42 Å²	42	76.2 Å²	76.2	26%	0.258	38%	0.38	S	S	.	.	S	Bend	trans	-137.9	174.8	-179.3	70.9	0	0	0	0	110.6	N91	T48-N91 PolarHBondContact N-OD1 3.49Å; T48-N91 PolarHBondContact O-OD1 3.44Å; T48-N91 PolarHBondContact OG1-ND2 2.59Å
49	E	98.4	Very high	97.4	Very high	109 Å²	109	69.4 Å²	69.4	51%	0.509	35%	0.349	S	S	.	.			trans	-63.4	159.6	156.4	75.1	-71.8	174.4	0	0	111.5	P51 G52 R56	E49-P51 CarbonylContact O-C 3.49Å; E49-G52 VanDerWaalsContact O-CA 3.26Å; E49-G52 WeakPolarHBondContact O-CA 3.49Å; E49-G52 PolarHBondContact O-N 2.94Å; E49-G52 VanDerWaalsContact O-N 3.15Å; E49-R56 IonicContact OE1-CZ 3.26Å; E49-R56 VanDerWaalsContact OE1-CZ 3.26Å; E49-R56 IonicContact OE1-NH1 2.75Å; E49-R56 PolarHBondContact OE1-NH1 3.45Å; E49-R56 IonicContact OE1-NH2 2.79Å; E49-R56 PolarHBondContact OE1-NH2 3.32Å
50	V	98.6	Very high	98	Very high	56 Å²	56	74.1 Å²	74.1	34%	0.339	37%	0.37	S	S	.	.	S	Bend	trans	-119	127.8	178.7	-178.7	0	0	0	0	109.2	M46 F73 N91 M93	M46-V50 HydrophobicContact CE-CG2 3.66Å; V50-F73 HydrophobicContact CG1-CB 4.06Å; V50-F73 HydrophobicContact CG1-CD1 3.34Å; V50-F73 HydrophobicContact CG1-CE1 3.94Å; V50-F73 HydrophobicContact CG1-CG 3.83Å; V50-N91 HydrophobicContact CG2-CB 4.43Å; V50-M93 HydrophobicContact CG1-SD 4.44Å; V50-M93 HydrophobicContact CG2-SD 4.12Å
51	P	98.6	Very high	98.2	Very high	38 Å²	38	76.4 Å²	76.4	25%	0.247	38%	0.379	C	S	.	.	S	Bend	cis	-70.6	137.4	-3.6	27.6	-33.2	0	0	0	111.9	E49 R56 M59 F73	E49-P51 CarbonylContact O-C 3.49Å; P51-R56 HydrophobicContact CB-CG 4.23Å; P51-R56 HydrophobicContact CG-CG 4.07Å; P51-R56 PolarHBondContact O-NH1 3Å; P51-M59 HydrophobicContact CB-SD 3.92Å; P51-M59 HydrophobicContact CG-SD 4.05Å; P51-F73 HydrophobicContact CB-CB 4.07Å
52	G	98.6	Very high	98.4	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.379	C	S	.	.			trans	-76.9	179.3	176.9	0	0	0	0	0	113.9	E49 R54 S55 R56 D89	E49-G52 VanDerWaalsContact O-CA 3.26Å; E49-G52 WeakPolarHBondContact O-CA 3.49Å; E49-G52 PolarHBondContact O-N 2.94Å; E49-G52 VanDerWaalsContact O-N 3.15Å; G52-R54 VanDerWaalsContact C-N 3.33Å; G52-R54 PolarHBondContact O-N 2.85Å; G52-S55 PolarHBondContact O-N 3.15Å; G52-R56 WeakPolarHBondContact O-CG 3.33Å; G52-R56 PolarHBondContact O-N 3.11Å; G52-D89 VanDerWaalsContact C-OD1 3.31Å; G52-D89 VanDerWaalsContact CA-CG 3.43Å; G52-D89 VanDerWaalsContact CA-OD2 3.31Å; G52-D89 WeakPolarHBondContact CA-OD2 3.33Å; G52-D89 PolarHBondContact N-OD2 2.87Å
53	P	98.8	Very high	98.5	Very high	73 Å²	73	71.7 Å²	71.7	47%	0.474	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-38.2	-175.7	23.1	-33.8	0	0	0	113.9	E57 D89	P53-E57 PolarHBondContact O-N 3.42Å; P53-D89 WeakPolarHBondContact CD-OD1 3.45Å; P53-D89 VanDerWaalsContact N-OD1 3.15Å
54	R	98.8	Very high	98.6	Very high	134 Å²	134	77.6 Å²	77.6	51%	0.506	38%	0.383	S	S	.	.	H	α-helix	trans	-70.3	-43.8	177.9	-177.7	58.7	179	174.1	2.4	111	G52 E57 L58 V88 D89	G52-R54 VanDerWaalsContact C-N 3.33Å; G52-R54 PolarHBondContact O-N 2.85Å; R54-E57 PolarHBondContact O-N 3.2Å; R54-L58 HydrophobicContact CG-CD1 4.44Å; R54-L58 WeakPolarHBondContact O-CG 3.38Å; R54-L58 PolarHBondContact O-N 3.37Å; R54-L58 VanDerWaalsContact O-N 3.11Å; R54-V88 HydrophobicContact CB-CG2 3.97Å; R54-V88 HydrophobicContact CG-CB 3.91Å; R54-V88 HydrophobicContact CG-CG2 3.65Å; R54-D89 WeakPolarHBondContact CA-OD1 3.32Å; R54-D89 WeakPolarHBondContact CB-OD1 3.36Å; R54-D89 PolarHBondContact N-OD1 3.18Å
55	S	98.8	Very high	98.6	Very high	0 Å²	0	80 Å²	80	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-58	-47.5	174.2	-66.4	0	0	0	0	111.7	G52 E57 L58 M59 F74 V88 D89	G52-S55 PolarHBondContact O-N 3.15Å; S55-E57 VanDerWaalsContact C-N 3.32Å; S55-E57 PolarHBondContact O-N 2.93Å; S55-L58 PolarHBondContact O-N 3.26Å; S55-L58 VanDerWaalsContact O-N 3.16Å; S55-M59 VanDerWaalsContact O-CG 3.22Å; S55-M59 WeakPolarHBondContact O-CG 3.2Å; S55-M59 PolarHBondContact O-N 3.2Å; S55-F74 PolarHBondContact OG-N 3.46Å; S55-V88 VanDerWaalsContact OG-CG2 3.24Å; S55-V88 WeakPolarHBondContact OG-CG2 3.29Å; S55-D89 VanDerWaalsContact CB-OD2 3.31Å; S55-D89 WeakPolarHBondContact CB-OD2 3.3Å; S55-D89 PolarHBondContact N-OD2 3.43Å; S55-D89 PolarHBondContact OG-OD2 2.91Å
56	R	98.8	Very high	98.6	Very high	108 Å²	108	81.2 Å²	81.2	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-38.7	179	-71.7	-175.5	-65.1	-108.4	7.6	113.1	E49 P51 G52 M59 K60	E49-R56 IonicContact OE1-CZ 3.26Å; E49-R56 VanDerWaalsContact OE1-CZ 3.26Å; E49-R56 IonicContact OE1-NH1 2.75Å; E49-R56 PolarHBondContact OE1-NH1 3.45Å; E49-R56 IonicContact OE1-NH2 2.79Å; E49-R56 PolarHBondContact OE1-NH2 3.32Å; P51-R56 HydrophobicContact CB-CG 4.23Å; P51-R56 HydrophobicContact CG-CG 4.07Å; P51-R56 PolarHBondContact O-NH1 3Å; G52-R56 WeakPolarHBondContact O-CG 3.33Å; G52-R56 PolarHBondContact O-N 3.11Å; R56-M59 PolarHBondContact O-N 2.82Å; R56-K60 PolarHBondContact O-N 2.86Å
57	E	98.8	Very high	98.6	Very high	83 Å²	83	81.8 Å²	81.8	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-45	175	176.7	53.8	-149.3	0	0	111.5	P53 R54 S55 K60 Q61	P53-E57 PolarHBondContact O-N 3.42Å; R54-E57 PolarHBondContact O-N 3.2Å; S55-E57 VanDerWaalsContact C-N 3.32Å; S55-E57 PolarHBondContact O-N 2.93Å; E57-K60 WeakPolarHBondContact O-CB 3.37Å; E57-K60 PolarHBondContact O-N 3.35Å; E57-Q61 WeakPolarHBondContact O-CG 3.44Å; E57-Q61 PolarHBondContact O-N 2.91Å; E57-Q61 VanDerWaalsContact O-N 3.08Å; E57-Q61 PolarHBondContact OE1-NE2 3.07Å
58	L	98.8	Very high	98.6	Very high	28 Å²	28	75.2 Å²	75.2	15%	0.147	37%	0.371	C	S	.	.	H	α-helix	trans	-66.4	-37.9	176.9	-66.3	174.1	0	0	0	112.4	R54 S55 K60 Q61 L62 F74 V88	R54-L58 HydrophobicContact CG-CD1 4.44Å; R54-L58 WeakPolarHBondContact O-CG 3.38Å; R54-L58 PolarHBondContact O-N 3.37Å; R54-L58 VanDerWaalsContact O-N 3.11Å; S55-L58 PolarHBondContact O-N 3.26Å; S55-L58 VanDerWaalsContact O-N 3.16Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 2.69Å; L58-Q61 PolarHBondContact O-N 2.69Å; L58-L62 PolarHBondContact O-N 3.23Å; L58-F74 VanDerWaalsContact C-CE2 3.46Å; L58-F74 HydrophobicContact CB-CB 4.48Å; L58-F74 HydrophobicContact CB-CD1 3.82Å; L58-F74 HydrophobicContact CB-CD2 3.51Å; L58-F74 HydrophobicContact CB-CE1 3.82Å; L58-F74 HydrophobicContact CB-CE2 3.53Å; L58-F74 HydrophobicContact CB-CG 3.66Å; L58-F74 HydrophobicContact CB-CZ 3.68Å; L58-F74 HydrophobicContact CD1-CB 3.7Å; L58-F74 HydrophobicContact CD1-CD1 3.66Å; L58-F74 HydrophobicContact CD1-CD2 4.3Å; L58-F74 HydrophobicContact CD1-CE1 4.36Å; L58-F74 HydrophobicContact CD1-CG 3.62Å; L58-F74 HydrophobicContact CG-CD1 4.33Å; L58-F74 HydrophobicContact CG-CG 4.3Å; L58-V88 HydrophobicContact CD1-CG1 4.21Å; L58-V88 HydrophobicContact CD1-CG2 4.08Å
59	M	98.8	Very high	98.5	Very high	42 Å²	42	81 Å²	81	21%	0.207	40%	0.395	C	S	.	.	H	α-helix	trans	-60.3	-43.7	173.5	-69.9	166.7	71.1	0	0	111	P51 S55 R56 Q61 L62 N63 V71 F74	P51-M59 HydrophobicContact CB-SD 3.92Å; P51-M59 HydrophobicContact CG-SD 4.05Å; S55-M59 VanDerWaalsContact O-CG 3.22Å; S55-M59 WeakPolarHBondContact O-CG 3.2Å; S55-M59 PolarHBondContact O-N 3.2Å; R56-M59 PolarHBondContact O-N 2.82Å; M59-Q61 VanDerWaalsContact C-N 3.32Å; M59-Q61 PolarHBondContact O-N 2.8Å; M59-L62 PolarHBondContact O-N 3.34Å; M59-N63 VanDerWaalsContact O-CB 3.31Å; M59-N63 WeakPolarHBondContact O-CB 3.36Å; M59-N63 PolarHBondContact O-N 3.26Å; M59-V71 VanDerWaalsContact CE-O 3.27Å; M59-V71 WeakPolarHBondContact CE-O 3.48Å; M59-V71 HydrophobicContact CG-CB 4.47Å; M59-V71 HydrophobicContact CG-CG1 3.97Å; M59-F74 HydrophobicContact CB-CE2 4.3Å; M59-F74 HydrophobicContact CG-CD2 3.95Å; M59-F74 HydrophobicContact CG-CE2 3.67Å; M59-F74 VanDerWaalsContact N-CE2 3.34Å
60	K	98.7	Very high	98.5	Very high	142 Å²	142	79.9 Å²	79.9	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-60.3	-42.3	175.4	-176.1	-177.1	176.9	-173.5	0	111.8	R56 E57 L58 N63	R56-K60 PolarHBondContact O-N 2.86Å; E57-K60 WeakPolarHBondContact O-CB 3.37Å; E57-K60 PolarHBondContact O-N 3.35Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 2.69Å; K60-N63 PolarHBondContact O-N 3.39Å
61	Q	98.8	Very high	98.5	Very high	98 Å²	98	79 Å²	79	46%	0.458	40%	0.399	S	S	.	.	H	α-helix	trans	-64.4	-46.5	177.2	-68.3	172.5	21.2	0	0	111.8	E57 L58 M59 N63 I64	E57-Q61 WeakPolarHBondContact O-CG 3.44Å; E57-Q61 PolarHBondContact O-N 2.91Å; E57-Q61 VanDerWaalsContact O-N 3.08Å; E57-Q61 PolarHBondContact OE1-NE2 3.07Å; L58-Q61 PolarHBondContact O-N 2.69Å; M59-Q61 VanDerWaalsContact C-N 3.32Å; M59-Q61 PolarHBondContact O-N 2.8Å; Q61-N63 VanDerWaalsContact C-N 3.29Å; Q61-N63 PolarHBondContact O-N 2.9Å; Q61-I64 WeakPolarHBondContact O-CB 3.44Å; Q61-I64 PolarHBondContact O-N 3.13Å
62	L	98.6	Very high	98.5	Very high	38 Å²	38	83.6 Å²	83.6	20%	0.199	42%	0.417	C	S	.	.	H	α-helix	trans	-63.9	-36.2	178.4	-176.5	60.4	0	0	0	111.9	L58 M59 I64 I65 Q66 A68 V71 F74	L58-L62 PolarHBondContact O-N 3.23Å; M59-L62 PolarHBondContact O-N 3.34Å; L62-I64 PolarHBondContact O-N 3.37Å; L62-I64 VanDerWaalsContact O-N 3.1Å; L62-I65 HydrophobicContact CD1-CD1 4.07Å; L62-I65 HydrophobicContact CD1-CG1 4.07Å; L62-I65 VanDerWaalsContact O-CG1 3.25Å; L62-I65 WeakPolarHBondContact O-CG1 3.18Å; L62-I65 PolarHBondContact O-N 3.28Å; L62-Q66 HydrophobicContact CD1-CG 3.79Å; L62-Q66 HydrophobicContact CG-CG 3.98Å; L62-Q66 PolarHBondContact O-N 3.13Å; L62-A68 HydrophobicContact CB-CB 4.3Å; L62-A68 HydrophobicContact CD2-CB 4.17Å; L62-A68 HydrophobicContact CG-CB 4.05Å; L62-V71 HydrophobicContact CD2-CG2 3.96Å; L62-F74 HydrophobicContact CB-CZ 4.13Å; L62-F74 HydrophobicContact CD2-CZ 3.92Å
63	N	98.4	Very high	98.5	Very high	84 Å²	84	85.6 Å²	85.6	45%	0.449	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.6	-180	-156.8	61.5	0	0	0	113.9	M59 K60 Q61 I65 Q66 A68	M59-N63 VanDerWaalsContact O-CB 3.31Å; M59-N63 WeakPolarHBondContact O-CB 3.36Å; M59-N63 PolarHBondContact O-N 3.26Å; K60-N63 PolarHBondContact O-N 3.39Å; Q61-N63 VanDerWaalsContact C-N 3.29Å; Q61-N63 PolarHBondContact O-N 2.9Å; N63-I65 VanDerWaalsContact C-N 3.34Å; N63-Q66 CarbonylContact C-O 3.49Å; N63-Q66 VanDerWaalsContact CA-O 3.24Å; N63-Q66 WeakPolarHBondContact CA-O 3.42Å; N63-A68 HydrophobicContact CB-CB 3.99Å; N63-A68 PolarHBondContact OD1-N 3.35Å
64	I	98.5	Very high	98.5	Very high	140 Å²	140	84.6 Å²	84.6	72%	0.718	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.3	173.2	-58.9	-56	0	0	0	111.6	Q61 L62	Q61-I64 WeakPolarHBondContact O-CB 3.44Å; Q61-I64 PolarHBondContact O-N 3.13Å; L62-I64 PolarHBondContact O-N 3.37Å; L62-I64 VanDerWaalsContact O-N 3.1Å
65	I	98.3	Very high	98.5	Very high	136 Å²	136	79.8 Å²	79.8	70%	0.697	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-16	-170.4	62.3	170	0	0	0	114	L62 N63	L62-I65 HydrophobicContact CD1-CD1 4.07Å; L62-I65 HydrophobicContact CD1-CG1 4.07Å; L62-I65 VanDerWaalsContact O-CG1 3.25Å; L62-I65 WeakPolarHBondContact O-CG1 3.18Å; L62-I65 PolarHBondContact O-N 3.28Å; N63-I65 VanDerWaalsContact C-N 3.34Å
66	Q	98.1	Very high	98.5	Very high	113 Å²	113	82.1 Å²	82.1	53%	0.528	41%	0.413	S	S	.	.	S	Bend	trans	-156.6	160	173.3	62	-176	-110.3	0	0	109.7	L62 N63 A68	L62-Q66 HydrophobicContact CD1-CG 3.79Å; L62-Q66 HydrophobicContact CG-CG 3.98Å; L62-Q66 PolarHBondContact O-N 3.13Å; N63-Q66 CarbonylContact C-O 3.49Å; N63-Q66 VanDerWaalsContact CA-O 3.24Å; N63-Q66 WeakPolarHBondContact CA-O 3.42Å; Q66-A68 PolarHBondContact O-N 3.14Å; Q66-A68 VanDerWaalsContact O-N 3.16Å
67	N	98	Very high	98.5	Very high	110 Å²	110	81.9 Å²	81.9	59%	0.588	41%	0.413	S	S	*	.			trans	-64	118.8	169.5	-175	-51.3	0	0	0	109	E69	N67-E69 PolarHBondContact ND2-OE1 3.38Å; N67-E69 VanDerWaalsContact OD1-CB 3.3Å; N67-E69 WeakPolarHBondContact OD1-CB 3.39Å; N67-E69 WeakPolarHBondContact OD1-CG 3.34Å; N67-E69 PolarHBondContact OD1-N 3.35Å
68	A	98	Very high	98.4	Very high	6 Å²	6	85.5 Å²	85.5	5%	0.05	43%	0.43	C	S	.	.			trans	-110.7	16.3	-176.6	0	0	0	0	0	113	L62 N63 Q66 A70 V71	L62-A68 HydrophobicContact CB-CB 4.3Å; L62-A68 HydrophobicContact CD2-CB 4.17Å; L62-A68 HydrophobicContact CG-CB 4.05Å; N63-A68 HydrophobicContact CB-CB 3.99Å; N63-A68 PolarHBondContact OD1-N 3.35Å; Q66-A68 PolarHBondContact O-N 3.14Å; Q66-A68 VanDerWaalsContact O-N 3.16Å; A68-A70 PolarHBondContact O-N 3.49Å; A68-V71 HydrophobicContact CB-CG2 4.09Å; A68-V71 WeakPolarHBondContact O-CB 3.31Å; A68-V71 WeakPolarHBondContact O-CG2 3.46Å; A68-V71 PolarHBondContact O-N 3.06Å
69	E	98.1	Very high	98.4	Very high	163 Å²	163	89.1 Å²	89.1	76%	0.762	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.8	-177.8	-68.8	173	-137.4	0	0	113	N67 V71	N67-E69 PolarHBondContact ND2-OE1 3.38Å; N67-E69 VanDerWaalsContact OD1-CB 3.3Å; N67-E69 WeakPolarHBondContact OD1-CB 3.39Å; N67-E69 WeakPolarHBondContact OD1-CG 3.34Å; N67-E69 PolarHBondContact OD1-N 3.35Å; E69-V71 VanDerWaalsContact C-N 3.31Å
70	A	97.8	Very high	98.4	Very high	86 Å²	86	87.1 Å²	87.1	71%	0.711	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.5	176.2	0	0	0	0	0	113.9	A68 H72	A68-A70 PolarHBondContact O-N 3.49Å; A70-H72 PolarHBondContact O-CD2 3.46Å; A70-H72 PolarHBondContact O-N 3.47Å
71	V	98.6	Very high	98.4	Very high	38 Å²	38	85.2 Å²	85.2	23%	0.23	43%	0.425	C	S	.	.			trans	-74.4	122	-177.7	178.3	0	0	0	0	109.8	M59 L62 A68 E69 F74	M59-V71 VanDerWaalsContact CE-O 3.27Å; M59-V71 WeakPolarHBondContact CE-O 3.48Å; M59-V71 HydrophobicContact CG-CB 4.47Å; M59-V71 HydrophobicContact CG-CG1 3.97Å; L62-V71 HydrophobicContact CD2-CG2 3.96Å; A68-V71 HydrophobicContact CB-CG2 4.09Å; A68-V71 WeakPolarHBondContact O-CB 3.31Å; A68-V71 WeakPolarHBondContact O-CG2 3.46Å; A68-V71 PolarHBondContact O-N 3.06Å; E69-V71 VanDerWaalsContact C-N 3.31Å; V71-F74 HydrophobicContact CG1-CD2 4.28Å; V71-F74 HydrophobicContact CG1-CE2 4Å
72	H	98.6	Very high	98.3	Very high	133 Å²	133	80.6 Å²	80.6	62%	0.616	40%	0.404	S	S	*	.			trans	-76.3	-50.6	177.9	-62.8	178.9	0	0	0	111.9	A70	A70-H72 PolarHBondContact O-CD2 3.46Å; A70-H72 PolarHBondContact O-N 3.47Å
73	F	98.8	Very high	98.3	Very high	42 Å²	42	82.9 Å²	82.9	18%	0.184	42%	0.416	C	S	.	.			trans	-168.7	171.4	177.7	50.9	-93.3	0	0	0	109.6	V50 P51 L85 D87 M93	V50-F73 HydrophobicContact CG1-CB 4.06Å; V50-F73 HydrophobicContact CG1-CD1 3.34Å; V50-F73 HydrophobicContact CG1-CE1 3.94Å; V50-F73 HydrophobicContact CG1-CG 3.83Å; P51-F73 HydrophobicContact CB-CB 4.07Å; F73-L85 HydrophobicContact CE2-CD2 3.84Å; F73-L85 HydrophobicContact CE2-CG 4.39Å; F73-L85 HydrophobicContact CZ-CD2 3.93Å; F73-D87 HydrophobicContact CD2-CB 3.72Å; F73-D87 HydrophobicContact CE2-CB 4.14Å; F73-M93 HydrophobicContact CD2-CE 4.3Å; F73-M93 HydrophobicContact CE1-CE 4.22Å; F73-M93 HydrophobicContact CE1-SD 4.28Å; F73-M93 HydrophobicContact CE2-CE 3.6Å; F73-M93 HydrophobicContact CZ-CE 3.55Å; F73-M93 HydrophobicContact CZ-SD 4.07Å
74	F	98.8	Very high	98.3	Very high	52 Å²	52	80 Å²	80	23%	0.228	40%	0.399	C	S	.	.			trans	-96.2	139.9	176.2	-83.4	-106.7	0	0	0	110.8	S55 L58 M59 L62 V71 D87 V88	S55-F74 PolarHBondContact OG-N 3.46Å; L58-F74 VanDerWaalsContact C-CE2 3.46Å; L58-F74 HydrophobicContact CB-CB 4.48Å; L58-F74 HydrophobicContact CB-CD1 3.82Å; L58-F74 HydrophobicContact CB-CD2 3.51Å; L58-F74 HydrophobicContact CB-CE1 3.82Å; L58-F74 HydrophobicContact CB-CE2 3.53Å; L58-F74 HydrophobicContact CB-CG 3.66Å; L58-F74 HydrophobicContact CB-CZ 3.68Å; L58-F74 HydrophobicContact CD1-CB 3.7Å; L58-F74 HydrophobicContact CD1-CD1 3.66Å; L58-F74 HydrophobicContact CD1-CD2 4.3Å; L58-F74 HydrophobicContact CD1-CE1 4.36Å; L58-F74 HydrophobicContact CD1-CG 3.62Å; L58-F74 HydrophobicContact CG-CD1 4.33Å; L58-F74 HydrophobicContact CG-CG 4.3Å; M59-F74 HydrophobicContact CB-CE2 4.3Å; M59-F74 HydrophobicContact CG-CD2 3.95Å; M59-F74 HydrophobicContact CG-CE2 3.67Å; M59-F74 VanDerWaalsContact N-CE2 3.34Å; L62-F74 HydrophobicContact CB-CZ 4.13Å; L62-F74 HydrophobicContact CD2-CZ 3.92Å; V71-F74 HydrophobicContact CG1-CD2 4.28Å; V71-F74 HydrophobicContact CG1-CE2 4Å; F74-D87 WeakPolarHBondContact O-CA 3.47Å; F74-D87 WeakPolarHBondContact O-CB 3.23Å; F74-V88 HydrophobicContact CB-CB 4.44Å; F74-V88 HydrophobicContact CB-CG1 3.84Å; F74-V88 HydrophobicContact CB-CG2 3.71Å; F74-V88 PolarHBondContact O-N 3.38Å
75	C	98.8	Very high	98.3	Very high	34 Å²	34	73.7 Å²	73.7	23%	0.23	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-103	149.1	-172.8	-57.5	0	0	0	0	112.2	Y77 L85	C75-Y77 HydrophobicContact CB-CD1 4.49Å; C75-Y77 HydrophobicContact CB-CD2 4.02Å; C75-Y77 HydrophobicContact CB-CE1 4.15Å; C75-Y77 HydrophobicContact CB-CE2 3.64Å; C75-Y77 HydrophobicContact CB-CG 4.44Å; C75-L85 HydrophobicContact CB-CD1 4.05Å
76	N	98.7	Very high	98.3	Very high	49 Å²	49	67.9 Å²	67.9	26%	0.262	34%	0.338	S	S	.	.			trans	-106.8	92	163.6	-178.8	-13.4	0	0	0	108	E78 E79 S80 V86	N76-E78 VanDerWaalsContact C-N 3.33Å; N76-E78 PolarHBondContact OD1-N 2.72Å; N76-E78 PolarHBondContact OD1-OE2 3.22Å; N76-E79 WeakPolarHBondContact ND2-CG 3.34Å; N76-E79 PolarHBondContact O-N 2.91Å; N76-E79 PolarHBondContact OD1-N 3.36Å; N76-S80 PolarHBondContact O-N 3Å; N76-S80 PolarHBondContact O-OG 3.19Å; N76-V86 HydrophobicContact CB-CG1 4.34Å; N76-V86 PolarHBondContact N-O 3.26Å
77	Y	98.4	Very high	98.4	Very high	103 Å²	103	62.5 Å²	62.5	40%	0.404	31%	0.313	S	S	.	.	S	Bend	trans	-73.5	-27	-174.8	-73.3	-70.2	0	0	0	112.6	C75 E79 S80 L85 Q99 Y107 S108	C75-Y77 HydrophobicContact CB-CD1 4.49Å; C75-Y77 HydrophobicContact CB-CD2 4.02Å; C75-Y77 HydrophobicContact CB-CE1 4.15Å; C75-Y77 HydrophobicContact CB-CE2 3.64Å; C75-Y77 HydrophobicContact CB-CG 4.44Å; Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 2.92Å; Y77-S80 WeakPolarHBondContact O-CB 3.36Å; Y77-S80 PolarHBondContact O-N 2.76Å; Y77-S80 VanDerWaalsContact O-N 3.08Å; Y77-L85 HydrophobicContact CD1-CD1 4.02Å; Y77-L85 HydrophobicContact CE1-CD1 3.65Å; Y77-Q99 PolarHBondContact OH-OE1 3.19Å; Y77-Y107 HydrophobicContact CD1-CD1 4.19Å; Y77-Y107 HydrophobicContact CD1-CE1 4.23Å; Y77-Y107 HydrophobicContact CE1-CD1 4.38Å; Y77-Y107 AromaticContact CE1-CE1 3.95Å; Y77-Y107 HydrophobicContact CE1-CE1 3.95Å; Y77-S108 PolarHBondContact O-OG 3.34Å
78	E	98.1	Very high	98.4	Very high	158 Å²	158	59.5 Å²	59.5	74%	0.738	30%	0.298	S	S	*	.	S	Bend	trans	-61.2	-36.1	176.5	-66.5	75.7	-171.5	0	0	111.8	N76	N76-E78 VanDerWaalsContact C-N 3.33Å; N76-E78 PolarHBondContact OD1-N 2.72Å; N76-E78 PolarHBondContact OD1-OE2 3.22Å
79	E	98.1	Very high	98.5	Very high	104 Å²	104	60.5 Å²	60.5	49%	0.486	30%	0.303	S	S	.	.	S	Bend	trans	-91.4	-6	174.8	-65.3	-62.5	149.7	0	0	113.2	Y41 N76 Y77 V86	Y41-E79 PolarHBondContact OH-O 3.26Å; N76-E79 WeakPolarHBondContact ND2-CG 3.34Å; N76-E79 PolarHBondContact O-N 2.91Å; N76-E79 PolarHBondContact OD1-N 3.36Å; Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 2.92Å; E79-V86 HydrophobicContact CB-CB 4.16Å; E79-V86 HydrophobicContact CB-CG1 4.09Å; E79-V86 HydrophobicContact CB-CG2 4.27Å; E79-V86 WeakPolarHBondContact O-CG2 3.31Å
80	S	98.4	Very high	98.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	28%	0.277	C	S	.	.			trans	-78.3	139.1	177.2	-60.6	0	0	0	0	110.3	N76 Y77 Y84 V86 S108	N76-S80 PolarHBondContact O-N 3Å; N76-S80 PolarHBondContact O-OG 3.19Å; Y77-S80 WeakPolarHBondContact O-CB 3.36Å; Y77-S80 PolarHBondContact O-N 2.76Å; Y77-S80 VanDerWaalsContact O-N 3.08Å; S80-Y84 WeakPolarHBondContact CA-O 3.48Å; S80-Y84 WeakPolarHBondContact CB-O 3.37Å; S80-V86 PolarHBondContact OG-N 2.85Å; S80-S108 WeakPolarHBondContact O-CB 3.29Å; S80-S108 PolarHBondContact O-OG 2.97Å
81	R	98.1	Very high	98.5	Very high	101 Å²	101	49.6 Å²	49.6	38%	0.381	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-151.9	140.5	-175.4	-155.6	-174.2	-65.7	178.1	-0.9	111.5	F39 Y41 N83 Y84 Y107	F39-R81 HydrophobicContact CD2-CG 4.19Å; F39-R81 HydrophobicContact CE2-CG 3.73Å; F39-R81 HydrophobicContact CZ-CG 4.28Å; F39-R81 WeakPolarHBondContact O-CD 3.44Å; F39-R81 WeakPolarHBondContact O-CG 3.44Å; Y41-R81 HydrophobicContact CD2-CB 4.08Å; Y41-R81 HydrophobicContact CE2-CB 3.59Å; R81-N83 PolarHBondContact O-N 3.47Å; R81-Y84 PolarHBondContact N-O 2.98Å; R81-Y84 VanDerWaalsContact N-O 3.1Å; R81-Y84 PolarHBondContact O-N 2.87Å; R81-Y107 WeakPolarHBondContact CA-O 3.46Å
82	G	97.5	Very high	98.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.01	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	55.2	-121.5	177.3	0	0	0	0	0	111.1	D40 G106 Y107	D40-G82 WeakPolarHBondContact OD1-CA 3.07Å; G82-G106 CarbonylContact O-C 3.58Å; G82-G106 WeakPolarHBondContact O-CA 3.44Å; G82-Y107 PolarHBondContact N-O 3.5Å; G82-Y107 WeakPolarHBondContact O-CD2 3.14Å; G82-Y107 PolarHBondContact O-N 3.09Å
83	N	98.2	Very high	98.5	Very high	87 Å²	87	45.5 Å²	45.5	47%	0.465	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.9	-179.7	-60.7	-71.8	0	0	0	113.7	D40 R81 L94 D95	D40-N83 PolarHBondContact OD1-N 3.35Å; D40-N83 PolarHBondContact OD2-N 3.31Å; D40-N83 VanDerWaalsContact OD2-N 3.14Å; D40-N83 PolarHBondContact OD2-ND2 3.22Å; R81-N83 PolarHBondContact O-N 3.47Å; N83-L94 HydrophobicContact CB-CD1 3.73Å; N83-D95 PolarHBondContact O-N 2.65Å
84	Y	98.6	Very high	98.5	Very high	22 Å²	22	47.6 Å²	47.6	9%	0.086	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.4	-176	-58.9	-96.5	0	0	0	113.1	D40 Y41 G43 S80 R81 R92 M93 L94	D40-Y84 WeakPolarHBondContact OD1-CD2 3.37Å; D40-Y84 WeakPolarHBondContact OD1-CE2 3.3Å; Y41-Y84 AromaticContact CD2-CD2 3.97Å; Y41-Y84 HydrophobicContact CD2-CD2 3.97Å; Y41-Y84 HydrophobicContact CD2-CG 4.07Å; Y41-Y84 HydrophobicContact CG-CD2 4.33Å; Y41-Y84 WeakPolarHBondContact O-CE2 3.42Å; Y41-Y84 PolarHBondContact O-OH 3.25Å; G43-Y84 VanDerWaalsContact CA-OH 3.23Å; G43-Y84 WeakPolarHBondContact CA-OH 3.44Å; G43-Y84 PolarHBondContact N-OH 3.4Å; S80-Y84 WeakPolarHBondContact CA-O 3.48Å; S80-Y84 WeakPolarHBondContact CB-O 3.37Å; R81-Y84 PolarHBondContact N-O 2.98Å; R81-Y84 VanDerWaalsContact N-O 3.1Å; R81-Y84 PolarHBondContact O-N 2.87Å; Y84-R92 HydrophobicContact CD1-CG 3.88Å; Y84-R92 HydrophobicContact CG-CG 4.04Å; Y84-M93 WeakPolarHBondContact CA-O 3.48Å; Y84-L94 HydrophobicContact CD1-CB 4.31Å; Y84-L94 HydrophobicContact CE1-CB 3.99Å; Y84-L94 HydrophobicContact CE1-CD1 4.26Å
85	L	98.9	Very high	98.5	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.2	170.5	-174.9	62.9	0	0	0	108.9	F73 C75 Y77 M93 D95 Y107	F73-L85 HydrophobicContact CE2-CD2 3.84Å; F73-L85 HydrophobicContact CE2-CG 4.39Å; F73-L85 HydrophobicContact CZ-CD2 3.93Å; C75-L85 HydrophobicContact CB-CD1 4.05Å; Y77-L85 HydrophobicContact CD1-CD1 4.02Å; Y77-L85 HydrophobicContact CE1-CD1 3.65Å; L85-M93 PolarHBondContact N-O 3Å; L85-M93 PolarHBondContact O-N 3.08Å; L85-D95 HydrophobicContact CB-CB 4.04Å; L85-Y107 HydrophobicContact CB-CE2 4.06Å; L85-Y107 HydrophobicContact CD1-CE1 4.17Å; L85-Y107 HydrophobicContact CD1-CE2 4.31Å
86	V	98.8	Very high	98.5	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.6	175.9	-179.5	0	0	0	0	108.9	N76 E79 S80 N91 R92	N76-V86 HydrophobicContact CB-CG1 4.34Å; N76-V86 PolarHBondContact N-O 3.26Å; E79-V86 HydrophobicContact CB-CB 4.16Å; E79-V86 HydrophobicContact CB-CG1 4.09Å; E79-V86 HydrophobicContact CB-CG2 4.27Å; E79-V86 WeakPolarHBondContact O-CG2 3.31Å; S80-V86 PolarHBondContact OG-N 2.85Å; V86-N91 CarbonylContact C-O 3.59Å; V86-N91 VanDerWaalsContact CA-O 3.27Å; V86-N91 WeakPolarHBondContact CA-O 3.48Å; V86-R92 HydrophobicContact CG2-CB 4.17Å; V86-R92 HydrophobicContact CG2-CG 4.01Å
87	D	98.8	Very high	98.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-91.2	170.7	174.5	80.4	4.2	0	0	0	112.6	F73 F74 D89 G90 N91 M93	F73-D87 HydrophobicContact CD2-CB 3.72Å; F73-D87 HydrophobicContact CE2-CB 4.14Å; F74-D87 WeakPolarHBondContact O-CA 3.47Å; F74-D87 WeakPolarHBondContact O-CB 3.23Å; D87-D89 PolarHBondContact O-N 2.9Å; D87-D89 WeakPolarHBondContact OD1-CA 3.48Å; D87-D89 WeakPolarHBondContact OD1-CB 3.29Å; D87-D89 PolarHBondContact OD1-N 2.98Å; D87-G90 PolarHBondContact O-N 3.15Å; D87-G90 VanDerWaalsContact O-N 3.09Å; D87-G90 PolarHBondContact OD1-N 3.44Å; D87-N91 PolarHBondContact N-O 2.89Å; D87-N91 WeakPolarHBondContact OD1-CB 3.46Å; D87-N91 PolarHBondContact OD1-N 3.17Å; D87-N91 PolarHBondContact OD1-ND2 2.71Å; D87-N91 WeakPolarHBondContact OD2-CB 3.33Å; D87-N91 PolarHBondContact OD2-ND2 3.29Å; D87-M93 HydrophobicContact CB-CE 4Å
88	V	98.8	Very high	98.4	Very high	47 Å²	47	52.2 Å²	52.2	29%	0.285	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.6	179.3	-65.4	0	0	0	0	114.2	R54 S55 L58 F74 G90	R54-V88 HydrophobicContact CB-CG2 3.97Å; R54-V88 HydrophobicContact CG-CB 3.91Å; R54-V88 HydrophobicContact CG-CG2 3.65Å; S55-V88 VanDerWaalsContact OG-CG2 3.24Å; S55-V88 WeakPolarHBondContact OG-CG2 3.29Å; L58-V88 HydrophobicContact CD1-CG1 4.21Å; L58-V88 HydrophobicContact CD1-CG2 4.08Å; F74-V88 HydrophobicContact CB-CB 4.44Å; F74-V88 HydrophobicContact CB-CG1 3.84Å; F74-V88 HydrophobicContact CB-CG2 3.71Å; F74-V88 PolarHBondContact O-N 3.38Å; V88-G90 VanDerWaalsContact C-N 3.34Å
89	D	98.8	Very high	98.4	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.139	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.5	174.7	-66	-81.6	0	0	0	111.3	G52 P53 R54 S55 D87	G52-D89 VanDerWaalsContact C-OD1 3.31Å; G52-D89 VanDerWaalsContact CA-CG 3.43Å; G52-D89 VanDerWaalsContact CA-OD2 3.31Å; G52-D89 WeakPolarHBondContact CA-OD2 3.33Å; G52-D89 PolarHBondContact N-OD2 2.87Å; P53-D89 WeakPolarHBondContact CD-OD1 3.45Å; P53-D89 VanDerWaalsContact N-OD1 3.15Å; R54-D89 WeakPolarHBondContact CA-OD1 3.32Å; R54-D89 WeakPolarHBondContact CB-OD1 3.36Å; R54-D89 PolarHBondContact N-OD1 3.18Å; S55-D89 VanDerWaalsContact CB-OD2 3.31Å; S55-D89 WeakPolarHBondContact CB-OD2 3.3Å; S55-D89 PolarHBondContact N-OD2 3.43Å; S55-D89 PolarHBondContact OG-OD2 2.91Å; D87-D89 PolarHBondContact O-N 2.9Å; D87-D89 WeakPolarHBondContact OD1-CA 3.48Å; D87-D89 WeakPolarHBondContact OD1-CB 3.29Å; D87-D89 PolarHBondContact OD1-N 2.98Å
90	G	98.5	Very high	98.4	Very high	21 Å²	21	46.9 Å²	46.9	22%	0.216	24%	0.235	C	C	.	.			trans	81.9	15.9	177.2	0	0	0	0	0	113.9	K47 D87 V88	K47-G90 WeakPolarHBondContact CD-O 3.48Å; K47-G90 WeakPolarHBondContact CE-O 3.3Å; D87-G90 PolarHBondContact O-N 3.15Å; D87-G90 VanDerWaalsContact O-N 3.09Å; D87-G90 PolarHBondContact OD1-N 3.44Å; V88-G90 VanDerWaalsContact C-N 3.34Å
91	N	98.8	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.			trans	-72.8	138.1	167.3	-58.4	-58.5	0	0	0	109.3	M46 K47 T48 V50 V86 D87 M93	M46-N91 HydrophobicContact CE-CB 3.78Å; M46-N91 HydrophobicContact SD-CB 4.16Å; K47-N91 PolarHBondContact N-OD1 3.34Å; T48-N91 PolarHBondContact N-OD1 3.49Å; T48-N91 PolarHBondContact O-OD1 3.44Å; T48-N91 PolarHBondContact OG1-ND2 2.59Å; V50-N91 HydrophobicContact CG2-CB 4.43Å; V86-N91 CarbonylContact C-O 3.59Å; V86-N91 VanDerWaalsContact CA-O 3.27Å; V86-N91 WeakPolarHBondContact CA-O 3.48Å; D87-N91 PolarHBondContact N-O 2.89Å; D87-N91 WeakPolarHBondContact OD1-CB 3.46Å; D87-N91 PolarHBondContact OD1-N 3.17Å; D87-N91 PolarHBondContact OD1-ND2 2.71Å; D87-N91 WeakPolarHBondContact OD2-CB 3.33Å; D87-N91 PolarHBondContact OD2-ND2 3.29Å; N91-M93 HydrophobicContact CB-CE 4.48Å
92	R	98.8	Very high	98.4	Very high	51 Å²	51	47 Å²	47	19%	0.192	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.9	174	-177.8	174.3	65.9	-139.5	3.4	109.3	Y41 G43 P44 L45 Y84 V86	Y41-R92 VanDerWaalsContact CD2-CD 3.43Å; Y41-R92 HydrophobicContact CD2-CG 4.47Å; G43-R92 PolarHBondContact O-NE 3.38Å; G43-R92 PolarHBondContact O-NH2 3.17Å; P44-R92 CarbonylContact C-O 3.52Å; P44-R92 WeakPolarHBondContact CA-O 3.39Å; P44-R92 WeakPolarHBondContact CB-O 3.41Å; L45-R92 HydrophobicContact CB-CB 4.19Å; L45-R92 PolarHBondContact N-O 2.84Å; L45-R92 PolarHBondContact O-N 2.79Å; Y84-R92 HydrophobicContact CD1-CG 3.88Å; Y84-R92 HydrophobicContact CG-CG 4.04Å; V86-R92 HydrophobicContact CG2-CB 4.17Å; V86-R92 HydrophobicContact CG2-CG 4.01Å
93	M	98.8	Very high	98.4	Very high	33 Å²	33	48.7 Å²	48.7	16%	0.163	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.5	-174.7	-66.4	161.4	-76.3	0	0	110.2	M46 V50 F73 Y84 L85 D87 N91 D95	M46-M93 HydrophobicContact CE-CG 4.03Å; M46-M93 HydrophobicContact CE-SD 4.47Å; M46-M93 HydrophobicContact SD-CG 3.88Å; V50-M93 HydrophobicContact CG1-SD 4.44Å; V50-M93 HydrophobicContact CG2-SD 4.12Å; F73-M93 HydrophobicContact CD2-CE 4.3Å; F73-M93 HydrophobicContact CE1-CE 4.22Å; F73-M93 HydrophobicContact CE1-SD 4.28Å; F73-M93 HydrophobicContact CE2-CE 3.6Å; F73-M93 HydrophobicContact CZ-CE 3.55Å; F73-M93 HydrophobicContact CZ-SD 4.07Å; Y84-M93 WeakPolarHBondContact CA-O 3.48Å; L85-M93 PolarHBondContact N-O 3Å; L85-M93 PolarHBondContact O-N 3.08Å; D87-M93 HydrophobicContact CB-CE 4Å; N91-M93 HydrophobicContact CB-CE 4.48Å; M93-D95 PolarHBondContact O-N 2.65Å
94	L	98.7	Very high	98.3	Very high	86 Å²	86	49.8 Å²	49.8	45%	0.45	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	115.8	164.8	177.1	65.3	0	0	0	107.7	N83 Y84 L96	N83-L94 HydrophobicContact CB-CD1 3.73Å; Y84-L94 HydrophobicContact CD1-CB 4.31Å; Y84-L94 HydrophobicContact CE1-CB 3.99Å; Y84-L94 HydrophobicContact CE1-CD1 4.26Å; L94-L96 HydrophobicContact CD1-CD2 4.35Å; L94-L96 HydrophobicContact CD2-CD1 4.4Å; L94-L96 HydrophobicContact CD2-CD2 4.08Å; L94-L96 HydrophobicContact CD2-CG 4.31Å; L94-L96 HydrophobicContact CG-CD2 3.95Å; L94-L96 HydrophobicContact CG-CG 4.16Å
95	D	98.8	Very high	98.2	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.128	29%	0.29	C	S	.	.			trans	-95.1	103.9	-176.7	-177	8.1	0	0	0	110.8	N83 L85 M93 Y97 S98 Y107	N83-D95 PolarHBondContact O-N 2.65Å; L85-D95 HydrophobicContact CB-CB 4.04Å; M93-D95 PolarHBondContact O-N 2.65Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.3Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.24Å; D95-Y97 PolarHBondContact OD1-N 3.12Å; D95-S98 PolarHBondContact OD1-N 3.19Å; D95-S98 PolarHBondContact OD2-N 3.36Å; D95-Y107 HydrophobicContact CB-CE2 4.17Å; D95-Y107 WeakPolarHBondContact OD2-CE2 3.47Å; D95-Y107 PolarHBondContact OD2-OH 3.49Å
96	L	98.3	Very high	98.1	Very high	152 Å²	152	53.1 Å²	53.1	80%	0.796	30%	0.295	S	S	*	.	S	Bend	trans	-99.2	11.7	174.5	-55.8	-179	0	0	0	112.5	L94	L94-L96 HydrophobicContact CD1-CD2 4.35Å; L94-L96 HydrophobicContact CD2-CD1 4.4Å; L94-L96 HydrophobicContact CD2-CD2 4.08Å; L94-L96 HydrophobicContact CD2-CG 4.31Å; L94-L96 HydrophobicContact CG-CD2 3.95Å; L94-L96 HydrophobicContact CG-CG 4.16Å
97	Y	98.3	Very high	98.1	Very high	124 Å²	124	53.4 Å²	53.4	49%	0.486	30%	0.295	S	S	.	.	S	Bend	trans	-108.9	-28.7	176.7	-169.8	-125.3	0	0	0	112	D95 Q99 I100 S101	D95-Y97 WeakPolarHBondContact OD1-CA 3.3Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.24Å; D95-Y97 PolarHBondContact OD1-N 3.12Å; Y97-Q99 VanDerWaalsContact C-N 3.34Å; Y97-Q99 PolarHBondContact O-N 3.49Å; Y97-I100 HydrophobicContact CE1-CB 4.35Å; Y97-I100 HydrophobicContact CE1-CG1 3.62Å; Y97-I100 PolarHBondContact O-N 3.01Å; Y97-I100 VanDerWaalsContact O-N 3.15Å; Y97-I100 WeakPolarHBondContact OH-CG1 3.45Å; Y97-S101 PolarHBondContact O-N 3.37Å
98	S	97.3	Very high	98	Very high	35 Å²	35	55.4 Å²	55.4	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	52.8	45.8	169	62.1	0	0	0	0	113.9	D95 I100 S101 S102 V103	D95-S98 PolarHBondContact OD1-N 3.19Å; D95-S98 PolarHBondContact OD2-N 3.36Å; S98-I100 PolarHBondContact O-N 3.08Å; S98-S101 PolarHBondContact O-N 3.22Å; S98-S101 WeakPolarHBondContact OG-CA 3.39Å; S98-S102 PolarHBondContact O-N 3.12Å; S98-V103 PolarHBondContact O-N 3.46Å
99	Q	97.9	Very high	98	Very high	62 Å²	62	55.5 Å²	55.5	29%	0.29	31%	0.306	S	S	.	.	H	α-helix	trans	53.7	52.1	-176.3	-51.5	-58.9	-41.5	0	0	112.7	Y77 Y97 S102 V103 Y107	Y77-Q99 PolarHBondContact OH-OE1 3.19Å; Y97-Q99 VanDerWaalsContact C-N 3.34Å; Y97-Q99 PolarHBondContact O-N 3.49Å; Q99-S102 WeakPolarHBondContact CB-OG 3.42Å; Q99-S102 PolarHBondContact O-OG 3.42Å; Q99-V103 HydrophobicContact CB-CG2 3.98Å; Q99-V103 HydrophobicContact CG-CG2 3.67Å; Q99-Y107 HydrophobicContact CG-CE1 4.22Å; Q99-Y107 WeakPolarHBondContact CG-OH 3.41Å; Q99-Y107 PolarHBondContact NE2-OH 2.84Å
100	I	97.4	Very high	97.8	Very high	89 Å²	89	57.4 Å²	57.4	46%	0.456	32%	0.32	S	S	.	.	H	α-helix	trans	62.1	48.2	-176.3	-33	-173.9	0	0	0	110.9	Y97 S98 S102	Y97-I100 HydrophobicContact CE1-CB 4.35Å; Y97-I100 HydrophobicContact CE1-CG1 3.62Å; Y97-I100 PolarHBondContact O-N 3.01Å; Y97-I100 VanDerWaalsContact O-N 3.15Å; Y97-I100 WeakPolarHBondContact OH-CG1 3.45Å; S98-I100 PolarHBondContact O-N 3.08Å; I100-S102 VanDerWaalsContact C-N 3.33Å; I100-S102 PolarHBondContact O-N 3.05Å
101	S	97.6	Very high	97.8	Very high	56 Å²	56	58.9 Å²	58.9	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	57.8	36.9	178.7	-167.1	0	0	0	0	114.7	Y97 S98	Y97-S101 PolarHBondContact O-N 3.37Å; S98-S101 PolarHBondContact O-N 3.22Å; S98-S101 WeakPolarHBondContact OG-CA 3.39Å
102	S	97.9	Very high	97.7	Very high	48 Å²	48	62.7 Å²	62.7	34%	0.336	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	0	-178	66.8	0	0	0	0	114.7	S98 Q99 I100 P104 G357	S98-S102 PolarHBondContact O-N 3.12Å; Q99-S102 WeakPolarHBondContact CB-OG 3.42Å; Q99-S102 PolarHBondContact O-OG 3.42Å; I100-S102 VanDerWaalsContact C-N 3.33Å; I100-S102 PolarHBondContact O-N 3.05Å; S102-P104 VanDerWaalsContact O-CD 3.27Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å; S102-G357 VanDerWaalsContact O-OXT 3.05Å
103	V	98.1	Very high	97.5	Very high	37 Å²	37	63.9 Å²	63.9	22%	0.224	36%	0.36	C	S	.	.			trans	-100.6	102.1	174.8	-179.6	0	0	0	0	109.3	S98 Q99 Y107	S98-V103 PolarHBondContact O-N 3.46Å; Q99-V103 HydrophobicContact CB-CG2 3.98Å; Q99-V103 HydrophobicContact CG-CG2 3.67Å; V103-Y107 HydrophobicContact CG1-CD1 4.45Å; V103-Y107 HydrophobicContact CG1-CE1 4.4Å; V103-Y107 HydrophobicContact CG2-CE1 3.89Å
104	P	96.3	Very high	97.5	Very high	110 Å²	110	68.8 Å²	68.8	71%	0.714	38%	0.38	S	S	*	.	S	Bend	trans	-75.7	-32.2	-166.7	26.8	-35.8	0	0	0	115	S102	S102-P104 VanDerWaalsContact O-CD 3.27Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å
105	I	96.9	Very high	97.4	Very high	85 Å²	85	69.1 Å²	69.1	44%	0.436	38%	0.382	S	S	.	.	S	Bend	trans	-137	30	-172.6	59.5	174.3	0	0	0	112.9	H109 L112	I105-H109 HydrophobicContact CD1-CB 4.11Å; I105-H109 HydrophobicContact CG1-CB 4.13Å; I105-H109 PolarHBondContact O-CD2 3.47Å; I105-L112 HydrophobicContact CD1-CD1 4.09Å; I105-L112 HydrophobicContact CD1-CD2 4.38Å; I105-L112 HydrophobicContact CD1-CG 4.12Å; I105-L112 HydrophobicContact CG1-CD1 4.26Å
106	G	97.3	Very high	97.2	Very high	16 Å²	16	73 Å²	73	17%	0.165	40%	0.402	C	S	.	.			trans	77.5	168.8	179.3	0	0	0	0	0	115	G82	G82-G106 CarbonylContact O-C 3.58Å; G82-G106 WeakPolarHBondContact O-CA 3.44Å
107	Y	98.4	Very high	97.2	Very high	18 Å²	18	72.7 Å²	72.7	7%	0.071	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-71.8	143.7	-177.5	-60.6	-72.6	0	0	0	111.9	F39 Y77 R81 G82 L85 D95 Q99 V103 H109	F39-Y107 WeakPolarHBondContact CZ-O 3.32Å; Y77-Y107 HydrophobicContact CD1-CD1 4.19Å; Y77-Y107 HydrophobicContact CD1-CE1 4.23Å; Y77-Y107 HydrophobicContact CE1-CD1 4.38Å; Y77-Y107 AromaticContact CE1-CE1 3.95Å; Y77-Y107 HydrophobicContact CE1-CE1 3.95Å; R81-Y107 WeakPolarHBondContact CA-O 3.46Å; G82-Y107 PolarHBondContact N-O 3.5Å; G82-Y107 WeakPolarHBondContact O-CD2 3.14Å; G82-Y107 PolarHBondContact O-N 3.09Å; L85-Y107 HydrophobicContact CB-CE2 4.06Å; L85-Y107 HydrophobicContact CD1-CE1 4.17Å; L85-Y107 HydrophobicContact CD1-CE2 4.31Å; D95-Y107 HydrophobicContact CB-CE2 4.17Å; D95-Y107 WeakPolarHBondContact OD2-CE2 3.47Å; D95-Y107 PolarHBondContact OD2-OH 3.49Å; Q99-Y107 HydrophobicContact CG-CE1 4.22Å; Q99-Y107 WeakPolarHBondContact CG-OH 3.41Å; Q99-Y107 PolarHBondContact NE2-OH 2.84Å; V103-Y107 HydrophobicContact CG1-CD1 4.45Å; V103-Y107 HydrophobicContact CG1-CE1 4.4Å; V103-Y107 HydrophobicContact CG2-CE1 3.89Å; Y107-H109 PolarHBondContact O-N 3.39Å; Y107-H109 VanDerWaalsContact O-N 3.1Å
108	S	97.1	Very high	97.1	Very high	43 Å²	43	69.8 Å²	69.8	30%	0.301	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	35.8	173	-58.7	0	0	0	0	114.7	Y77 S80 L113	Y77-S108 PolarHBondContact O-OG 3.34Å; S80-S108 WeakPolarHBondContact O-CB 3.29Å; S80-S108 PolarHBondContact O-OG 2.97Å; S108-L113 WeakPolarHBondContact O-CD1 3.43Å
109	H	97.6	Very high	97.1	Very high	50 Å²	50	73.3 Å²	73.3	23%	0.231	41%	0.409	C	S	.	.			trans	-57	130.8	-177.5	-172.2	-82.3	0	0	0	112	F39 I105 Y107 A111 L112 L113	F39-H109 AromaticContact CE1-CD2 3.88Å; F39-H109 HydrophobicContact CZ-CB 4.07Å; F39-H109 AromaticContact CZ-CD2 3.96Å; I105-H109 HydrophobicContact CD1-CB 4.11Å; I105-H109 HydrophobicContact CG1-CB 4.13Å; I105-H109 PolarHBondContact O-CD2 3.47Å; Y107-H109 PolarHBondContact O-N 3.39Å; Y107-H109 VanDerWaalsContact O-N 3.1Å; H109-A111 VanDerWaalsContact C-N 3.26Å; H109-A111 WeakPolarHBondContact ND1-CB 3.34Å; H109-A111 PolarHBondContact ND1-N 3.2Å; H109-A111 PolarHBondContact O-N 3.35Å; H109-A111 VanDerWaalsContact O-N 3.17Å; H109-L112 HydrophobicContact CB-CD1 4.25Å; H109-L112 HydrophobicContact CB-CG 4.22Å; H109-L112 WeakPolarHBondContact O-CB 3.45Å; H109-L112 PolarHBondContact O-N 3.09Å; H109-L113 PolarHBondContact O-N 3.03Å; H109-L113 VanDerWaalsContact O-N 3.1Å
110	P	96.3	Very high	97	Very high	65 Å²	65	76.5 Å²	76.5	42%	0.422	42%	0.424	S	S	.	.	H	α-helix	trans	-68.7	-28.7	-164.5	-18.5	35.6	0	0	0	111.8	F39 K114	F39-P110 VanDerWaalsContact CD2-CD 3.45Å; F39-P110 HydrophobicContact CD2-CG 3.36Å; F39-P110 HydrophobicContact CE2-CG 3.63Å; F39-P110 HydrophobicContact CG-CG 4.27Å; P110-K114 VanDerWaalsContact O-CB 3.31Å; P110-K114 WeakPolarHBondContact O-CB 3.27Å; P110-K114 PolarHBondContact O-N 3.12Å
111	A	97.1	Very high	97	Very high	52 Å²	52	74.1 Å²	74.1	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-36.3	173.4	0	0	0	0	0	112.6	H109 K114 L115	H109-A111 VanDerWaalsContact C-N 3.26Å; H109-A111 WeakPolarHBondContact ND1-CB 3.34Å; H109-A111 PolarHBondContact ND1-N 3.2Å; H109-A111 PolarHBondContact O-N 3.35Å; H109-A111 VanDerWaalsContact O-N 3.17Å; A111-K114 PolarHBondContact O-N 3.34Å; A111-L115 WeakPolarHBondContact O-CG 3.08Å; A111-L115 PolarHBondContact O-N 2.95Å; A111-L115 VanDerWaalsContact O-N 3.1Å
112	L	96.8	Very high	96.9	Very high	80 Å²	80	74 Å²	74	42%	0.419	41%	0.414	S	S	.	.	H	α-helix	trans	-73.3	-41.2	177.4	-60.4	-176.9	0	0	0	110.8	I105 H109 K114 L115 I116	I105-L112 HydrophobicContact CD1-CD1 4.09Å; I105-L112 HydrophobicContact CD1-CD2 4.38Å; I105-L112 HydrophobicContact CD1-CG 4.12Å; I105-L112 HydrophobicContact CG1-CD1 4.26Å; H109-L112 HydrophobicContact CB-CD1 4.25Å; H109-L112 HydrophobicContact CB-CG 4.22Å; H109-L112 WeakPolarHBondContact O-CB 3.45Å; H109-L112 PolarHBondContact O-N 3.09Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 2.97Å; L112-L115 HydrophobicContact CD2-CD1 4.14Å; L112-L115 WeakPolarHBondContact O-CB 3.33Å; L112-L115 PolarHBondContact O-N 3.39Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L112-I116 WeakPolarHBondContact O-CG1 3.38Å; L112-I116 PolarHBondContact O-N 3.07Å; L112-I116 VanDerWaalsContact O-N 3.09Å
113	L	95.9	Very high	96.9	Very high	76 Å²	76	74.9 Å²	74.9	40%	0.398	42%	0.421	S	S	.	.	H	α-helix	trans	-59	-43.3	172.4	-65.5	178.4	0	0	0	111.3	S108 H109 L115 I116 Q117	S108-L113 WeakPolarHBondContact O-CD1 3.43Å; H109-L113 PolarHBondContact O-N 3.03Å; H109-L113 VanDerWaalsContact O-N 3.1Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.48Å; L113-I116 PolarHBondContact O-N 2.83Å; L113-Q117 VanDerWaalsContact O-CG 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.46Å; L113-Q117 PolarHBondContact O-N 2.9Å
114	K	97.1	Very high	96.8	Very high	137 Å²	137	78.8 Å²	78.8	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-60.4	-38.8	175.8	-172.9	175.6	-178.5	178.1	0	112.1	P110 A111 L112 Q117 Q118	P110-K114 VanDerWaalsContact O-CB 3.31Å; P110-K114 WeakPolarHBondContact O-CB 3.27Å; P110-K114 PolarHBondContact O-N 3.12Å; A111-K114 PolarHBondContact O-N 3.34Å; L112-K114 VanDerWaalsContact C-N 3.3Å; L112-K114 PolarHBondContact O-N 2.97Å; K114-Q117 PolarHBondContact O-N 3.15Å; K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.22Å; K114-Q118 PolarHBondContact O-NE2 3.4Å
115	L	96.9	Very high	96.9	Very high	93 Å²	93	79.1 Å²	79.1	49%	0.487	43%	0.428	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.3	-74.6	170.6	0	0	0	112.1	A111 L112 L113 Q117 Q118 N121	A111-L115 WeakPolarHBondContact O-CG 3.08Å; A111-L115 PolarHBondContact O-N 2.95Å; A111-L115 VanDerWaalsContact O-N 3.1Å; L112-L115 HydrophobicContact CD2-CD1 4.14Å; L112-L115 WeakPolarHBondContact O-CB 3.33Å; L112-L115 PolarHBondContact O-N 3.39Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.48Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q118 PolarHBondContact O-N 2.99Å; L115-N121 PolarHBondContact O-ND2 3.49Å
116	I	96	Very high	96.9	Very high	105 Å²	105	80.5 Å²	80.5	54%	0.538	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-37.7	179.1	-65.5	166.8	0	0	0	111	L112 L113 Q118 F125	L112-I116 WeakPolarHBondContact O-CG1 3.38Å; L112-I116 PolarHBondContact O-N 3.07Å; L112-I116 VanDerWaalsContact O-N 3.09Å; L113-I116 PolarHBondContact O-N 2.83Å; I116-Q118 VanDerWaalsContact C-N 3.25Å; I116-Q118 PolarHBondContact O-N 2.73Å; I116-F125 HydrophobicContact CG1-CZ 4Å
117	Q	96.8	Very high	97	Very high	145 Å²	145	84.6 Å²	84.6	68%	0.678	46%	0.459	S	S	*	.	H	α-helix	trans	-72.9	-12.7	-178.7	-70.1	170.4	-1.3	0	0	114.3	L113 K114 L115 P119	L113-Q117 VanDerWaalsContact O-CG 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.46Å; L113-Q117 PolarHBondContact O-N 2.9Å; K114-Q117 PolarHBondContact O-N 3.15Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; Q117-P119 WeakPolarHBondContact O-CD 3.45Å
118	Q	96.9	Very high	97	Very high	64 Å²	64	94.5 Å²	94.5	30%	0.299	50%	0.496	S	S	.	.			trans	-72.6	117.9	178.6	-72.8	-43.6	-68.4	0	0	111.4	K114 L115 I116 Q120 N121	K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-Q118 PolarHBondContact O-N 3.22Å; K114-Q118 PolarHBondContact O-NE2 3.4Å; L115-Q118 PolarHBondContact O-N 2.99Å; I116-Q118 VanDerWaalsContact C-N 3.25Å; I116-Q118 PolarHBondContact O-N 2.73Å; Q118-Q120 HydrophobicContact CB-CG 4.37Å; Q118-Q120 PolarHBondContact O-N 3.14Å; Q118-Q120 VanDerWaalsContact O-N 3.15Å; Q118-N121 HydrophobicContact CB-CB 4.42Å; Q118-N121 WeakPolarHBondContact O-CB 3.3Å; Q118-N121 PolarHBondContact O-N 3.12Å
119	P	96.9	Very high	97	Very high	108 Å²	108	95 Å²	95	70%	0.701	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-57.2	-34.1	-177.9	-26.6	35.7	0	0	0	114.1	Q117 N121 A122	Q117-P119 WeakPolarHBondContact O-CD 3.45Å; P119-N121 PolarHBondContact O-N 3.48Å; P119-A122 VanDerWaalsContact O-CB 3.29Å; P119-A122 WeakPolarHBondContact O-CB 3.41Å; P119-A122 PolarHBondContact O-N 2.76Å; P119-A122 VanDerWaalsContact O-N 3.12Å
120	Q	95.7	Very high	97	Very high	130 Å²	130	95.3 Å²	95.3	61%	0.607	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-62.7	-21.4	177.7	65.9	-85	22.2	0	0	113.6	Q118	Q118-Q120 HydrophobicContact CB-CG 4.37Å; Q118-Q120 PolarHBondContact O-N 3.14Å; Q118-Q120 VanDerWaalsContact O-N 3.15Å
121	N	97	Very high	97.2	Very high	39 Å²	39	95.5 Å²	95.5	21%	0.209	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-87.5	-10	178.9	-67.7	-18.2	0	0	0	112.7	L115 Q118 P119 S123 M124 F125	L115-N121 PolarHBondContact O-ND2 3.49Å; Q118-N121 HydrophobicContact CB-CB 4.42Å; Q118-N121 WeakPolarHBondContact O-CB 3.3Å; Q118-N121 PolarHBondContact O-N 3.12Å; P119-N121 PolarHBondContact O-N 3.48Å; N121-S123 VanDerWaalsContact C-N 3.32Å; N121-S123 PolarHBondContact O-N 3.48Å; N121-M124 VanDerWaalsContact O-CB 3.25Å; N121-M124 WeakPolarHBondContact O-CB 3.45Å; N121-M124 PolarHBondContact O-N 2.63Å; N121-F125 HydrophobicContact CB-CE2 3.95Å; N121-F125 WeakPolarHBondContact O-CD2 3.48Å
122	A	96.9	Very high	97.2	Very high	53 Å²	53	96.9 Å²	96.9	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-55	-44.7	-174.6	0	0	0	0	0	112.9	P119 M124 F125 V126	P119-A122 VanDerWaalsContact O-CB 3.29Å; P119-A122 WeakPolarHBondContact O-CB 3.41Å; P119-A122 PolarHBondContact O-N 2.76Å; P119-A122 VanDerWaalsContact O-N 3.12Å; A122-M124 PolarHBondContact O-N 3.28Å; A122-F125 PolarHBondContact O-N 3.35Å; A122-F125 VanDerWaalsContact O-N 3.11Å; A122-V126 PolarHBondContact O-N 3.06Å
123	S	97.6	Very high	97.3	Very high	67 Å²	67	99.3 Å²	99.3	47%	0.469	54%	0.538	S	S	.	.	H	α-helix	trans	-58.9	-34.3	178.9	-179.3	0	0	0	0	112.7	N121 F125 V126 N127	N121-S123 VanDerWaalsContact C-N 3.32Å; N121-S123 PolarHBondContact O-N 3.48Å; S123-F125 PolarHBondContact O-N 2.99Å; S123-V126 PolarHBondContact O-N 3.14Å; S123-N127 VanDerWaalsContact O-CB 3.3Å; S123-N127 WeakPolarHBondContact O-CB 3.46Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact OG-ND2 3.32Å
124	M	96.6	Very high	97.4	Very high	119 Å²	119	101.6 Å²	101.6	59%	0.586	55%	0.55	S	S	*	.	H	α-helix	trans	-62.2	-33.9	179.3	-176.4	-176.9	68.4	0	0	112	N121 A122	N121-M124 VanDerWaalsContact O-CB 3.25Å; N121-M124 WeakPolarHBondContact O-CB 3.45Å; N121-M124 PolarHBondContact O-N 2.63Å; A122-M124 PolarHBondContact O-N 3.28Å
125	F	96.8	Very high	97.5	Very high	117 Å²	117	98.4 Å²	98.4	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-83.4	-25.9	-177	-63.2	-72.6	0	0	0	113.6	I116 N121 A122 S123	I116-F125 HydrophobicContact CG1-CZ 4Å; N121-F125 HydrophobicContact CB-CE2 3.95Å; N121-F125 WeakPolarHBondContact O-CD2 3.48Å; A122-F125 PolarHBondContact O-N 3.35Å; A122-F125 VanDerWaalsContact O-N 3.11Å; S123-F125 PolarHBondContact O-N 2.99Å
126	V	97.8	Very high	97.5	Very high	114 Å²	114	96.6 Å²	96.6	69%	0.691	54%	0.537	S	S	*	.	H	α-helix	trans	-105.7	-20.1	-175.6	-57.8	0	0	0	0	113.9	A122 S123	A122-V126 PolarHBondContact O-N 3.06Å; S123-V126 PolarHBondContact O-N 3.14Å
127	N	98.2	Very high	97.7	Very high	102 Å²	102	101.3 Å²	101.3	55%	0.545	56%	0.557	S	S	.	*			trans	-112.4	87.1	-179.1	-62.9	-45.3	0	0	0	110.5	S123 P129	S123-N127 VanDerWaalsContact O-CB 3.3Å; S123-N127 WeakPolarHBondContact O-CB 3.46Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact OG-ND2 3.32Å; N127-P129 VanDerWaalsContact O-CD 3.26Å; N127-P129 WeakPolarHBondContact O-CD 3.41Å
128	R	98.4	Very high	97.7	Very high	225 Å²	225	98.2 Å²	98.2	85%	0.849	55%	0.545	S	S	*	.			trans	-83.8	111.4	178.6	-170.6	178.5	-174.7	178.5	3.4	111
129	P	98.2	Very high	97.8	Very high	53 Å²	53	97.4 Å²	97.4	34%	0.344	54%	0.541	S	S	.	.			trans	-82.8	157.7	-176.4	32.4	-34.2	0	0	0	112.8	N127 L131 L134	N127-P129 VanDerWaalsContact O-CD 3.26Å; N127-P129 WeakPolarHBondContact O-CD 3.41Å; P129-L131 VanDerWaalsContact C-N 3.35Å; P129-L131 HydrophobicContact CG-CD2 3.63Å; P129-L131 HydrophobicContact CG-CG 4.07Å; P129-L131 PolarHBondContact O-N 2.83Å; P129-L131 VanDerWaalsContact O-N 3.11Å; P129-L134 VanDerWaalsContact CB-O 3.28Å; P129-L134 WeakPolarHBondContact CB-O 3.28Å
130	A	98.4	Very high	97.9	Very high	58 Å²	58	96 Å²	96	48%	0.479	53%	0.529	S	S	.	.			trans	-76.8	86.8	158.9	0	0	0	0	0	109.1	G132 I133 L134	A130-G132 PolarHBondContact O-N 2.95Å; A130-I133 HydrophobicContact CB-CD1 3.89Å; A130-I133 HydrophobicContact CB-CG1 3.63Å; A130-I133 WeakPolarHBondContact O-CG1 3.37Å; A130-I133 PolarHBondContact O-N 3.26Å; A130-L134 PolarHBondContact O-N 2.84Å
131	L	98.4	Very high	98	Very high	68 Å²	68	93.6 Å²	93.6	36%	0.356	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.8	-169.1	-74.6	173.6	0	0	0	115.1	P129 I133 F139	P129-L131 VanDerWaalsContact C-N 3.35Å; P129-L131 HydrophobicContact CG-CD2 3.63Å; P129-L131 HydrophobicContact CG-CG 4.07Å; P129-L131 PolarHBondContact O-N 2.83Å; P129-L131 VanDerWaalsContact O-N 3.11Å; L131-I133 PolarHBondContact O-N 3.17Å; L131-F139 HydrophobicContact CD1-CE2 3.94Å; L131-F139 HydrophobicContact CD1-CZ 4.2Å; L131-F139 HydrophobicContact CD2-CD2 3.84Å; L131-F139 HydrophobicContact CD2-CE2 3.76Å; L131-F139 HydrophobicContact CD2-CG 4.35Å; L131-F139 HydrophobicContact CD2-CZ 4.19Å; L131-F139 HydrophobicContact CG-CE2 4.42Å
132	G	98.2	Very high	98.1	Very high	82 Å²	82	96.7 Å²	96.7	85%	0.845	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.1	178.4	0	0	0	0	0	114.9	A130	A130-G132 PolarHBondContact O-N 2.95Å
133	I	98.4	Very high	98.2	Very high	130 Å²	130	95.5 Å²	95.5	67%	0.667	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-30.5	-175.6	55.5	170.9	0	0	0	113.8	A130 L131	A130-I133 HydrophobicContact CB-CD1 3.89Å; A130-I133 HydrophobicContact CB-CG1 3.63Å; A130-I133 WeakPolarHBondContact O-CG1 3.37Å; A130-I133 PolarHBondContact O-N 3.26Å; L131-I133 PolarHBondContact O-N 3.17Å
134	L	98.4	Very high	98.2	Very high	124 Å²	124	98.7 Å²	98.7	65%	0.649	52%	0.518	S	S	*	.	S	Bend	trans	-135.3	61.7	-176.2	-65.7	170.9	0	0	0	110.5	P129 A130	P129-L134 VanDerWaalsContact CB-O 3.28Å; P129-L134 WeakPolarHBondContact CB-O 3.28Å; A130-L134 PolarHBondContact O-N 2.84Å
135	P	98.6	Very high	98.3	Very high	70 Å²	70	98.2 Å²	98.2	46%	0.455	51%	0.514	S	S	.	.			trans	-66.5	146.5	177.8	29.8	-35.1	0	0	0	111.1	F139	P135-F139 HydrophobicContact CB-CB 4.09Å; P135-F139 HydrophobicContact CB-CD1 3.92Å; P135-F139 HydrophobicContact CB-CG 4.16Å
136	P	98.4	Very high	98.3	Very high	55 Å²	55	95.2 Å²	95.2	36%	0.357	51%	0.508	S	S	.	.			trans	-68.6	157.6	173.9	29.9	-33.8	0	0	0	110.7	N138 F139	P136-N138 PolarHBondContact O-N 3.16Å; P136-N138 VanDerWaalsContact O-N 3.13Å; P136-F139 HydrophobicContact CG-CB 4.02Å; P136-F139 VanDerWaalsContact O-CB 3.28Å; P136-F139 WeakPolarHBondContact O-CB 3.44Å; P136-F139 PolarHBondContact O-N 3.18Å
137	E	98.4	Very high	98.3	Very high	204 Å²	204	92.2 Å²	92.2	95%	0.953	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-40.9	-177	-178.2	178.6	-168.6	0	0	113.3	F139	E137-F139 PolarHBondContact O-N 3.31Å
138	N	98.1	Very high	98.3	Very high	80 Å²	80	90.7 Å²	90.7	43%	0.428	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.3	-175.7	68.9	-10.8	0	0	0	114.5	P136 V140 E141 K142	P136-N138 PolarHBondContact O-N 3.16Å; P136-N138 VanDerWaalsContact O-N 3.13Å; N138-V140 PolarHBondContact O-N 3.43Å; N138-E141 PolarHBondContact O-N 3.29Å; N138-K142 HydrophobicContact CB-CG 4.5Å; N138-K142 WeakPolarHBondContact O-CG 3.43Å; N138-K142 PolarHBondContact O-N 2.62Å
139	F	98.6	Very high	98.3	Very high	48 Å²	48	84 Å²	84	21%	0.211	47%	0.466	C	S	.	.	H	α-helix	trans	-56.8	-50.8	-171.2	-176.5	-123.3	0	0	0	112.7	L131 P135 P136 E137 E141 K142 L143 T160	L131-F139 HydrophobicContact CD1-CE2 3.94Å; L131-F139 HydrophobicContact CD1-CZ 4.2Å; L131-F139 HydrophobicContact CD2-CD2 3.84Å; L131-F139 HydrophobicContact CD2-CE2 3.76Å; L131-F139 HydrophobicContact CD2-CG 4.35Å; L131-F139 HydrophobicContact CD2-CZ 4.19Å; L131-F139 HydrophobicContact CG-CE2 4.42Å; P135-F139 HydrophobicContact CB-CB 4.09Å; P135-F139 HydrophobicContact CB-CD1 3.92Å; P135-F139 HydrophobicContact CB-CG 4.16Å; P136-F139 HydrophobicContact CG-CB 4.02Å; P136-F139 VanDerWaalsContact O-CB 3.28Å; P136-F139 WeakPolarHBondContact O-CB 3.44Å; P136-F139 PolarHBondContact O-N 3.18Å; E137-F139 PolarHBondContact O-N 3.31Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 3.46Å; F139-K142 PolarHBondContact O-N 2.9Å; F139-L143 HydrophobicContact CD1-CD1 4.15Å; F139-L143 HydrophobicContact CE1-CD1 3.72Å; F139-L143 HydrophobicContact CE2-CD1 4.28Å; F139-L143 HydrophobicContact CE2-CD2 4.32Å; F139-L143 HydrophobicContact CE2-CG 4.3Å; F139-L143 HydrophobicContact CZ-CD1 3.79Å; F139-L143 HydrophobicContact CZ-CD2 4.37Å; F139-L143 HydrophobicContact CZ-CG 4.28Å; F139-L143 WeakPolarHBondContact O-CG 3.32Å; F139-L143 PolarHBondContact O-N 3.21Å; F139-T160 HydrophobicContact CZ-CG2 4.5Å
140	V	98.5	Very high	98.3	Very high	77 Å²	77	83.1 Å²	83.1	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-41.5	-178.4	-178.3	0	0	0	0	111.3	N138 K142 L143 R144	N138-V140 PolarHBondContact O-N 3.43Å; V140-K142 VanDerWaalsContact C-N 3.35Å; V140-L143 WeakPolarHBondContact O-CB 3.03Å; V140-L143 PolarHBondContact O-N 3.19Å; V140-R144 WeakPolarHBondContact O-CG 3.33Å; V140-R144 PolarHBondContact O-N 2.92Å
141	E	98.5	Very high	98.3	Very high	80 Å²	80	82.9 Å²	82.9	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-68.2	-37	179.7	-174.3	53	-150.8	0	0	111.7	N138 F139 L143 R144 Q145	N138-E141 PolarHBondContact O-N 3.29Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 3.46Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 2.98Å; E141-R144 WeakPolarHBondContact O-CB 3.4Å; E141-R144 PolarHBondContact O-N 3.39Å; E141-R144 IonicContact OE2-NH1 3.57Å; E141-R144 PolarHBondContact OE2-NH1 3.24Å; E141-Q145 WeakPolarHBondContact O-CG 3.33Å; E141-Q145 PolarHBondContact O-N 3.45Å; E141-Q145 PolarHBondContact OE1-NE2 2.91Å
142	K	98.4	Very high	98.3	Very high	104 Å²	104	80.5 Å²	80.5	45%	0.452	45%	0.447	S	S	.	.	H	α-helix	trans	-65.7	-35.3	173.2	-72.8	-70.8	158	-155.1	0	112.4	N138 F139 V140 Q145 S146	N138-K142 HydrophobicContact CB-CG 4.5Å; N138-K142 WeakPolarHBondContact O-CG 3.43Å; N138-K142 PolarHBondContact O-N 2.62Å; F139-K142 PolarHBondContact O-N 2.9Å; V140-K142 VanDerWaalsContact C-N 3.35Å; K142-Q145 PolarHBondContact O-N 3.33Å; K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 2.91Å; K142-S146 PolarHBondContact O-OG 3.18Å
143	L	98.6	Very high	98.3	Very high	28 Å²	28	82.1 Å²	82.1	15%	0.147	43%	0.431	C	S	.	.	H	α-helix	trans	-65.1	-39.9	171.3	-67	176.5	0	0	0	112.1	F139 V140 E141 S146 L147 L148 L158 T160	F139-L143 HydrophobicContact CD1-CD1 4.15Å; F139-L143 HydrophobicContact CE1-CD1 3.72Å; F139-L143 HydrophobicContact CE2-CD1 4.28Å; F139-L143 HydrophobicContact CE2-CD2 4.32Å; F139-L143 HydrophobicContact CE2-CG 4.3Å; F139-L143 HydrophobicContact CZ-CD1 3.79Å; F139-L143 HydrophobicContact CZ-CD2 4.37Å; F139-L143 HydrophobicContact CZ-CG 4.28Å; F139-L143 WeakPolarHBondContact O-CG 3.32Å; F139-L143 PolarHBondContact O-N 3.21Å; V140-L143 WeakPolarHBondContact O-CB 3.03Å; V140-L143 PolarHBondContact O-N 3.19Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 2.98Å; L143-S146 CarbonylContact O-C 3.51Å; L143-S146 PolarHBondContact O-N 3.26Å; L143-L147 HydrophobicContact CD2-CD1 4Å; L143-L147 PolarHBondContact O-N 3Å; L143-L148 HydrophobicContact CB-CD1 4.02Å; L143-L148 HydrophobicContact CB-CG 4.28Å; L143-L148 WeakPolarHBondContact O-CB 3.39Å; L143-L148 PolarHBondContact O-N 2.75Å; L143-L158 HydrophobicContact CD2-CD2 4.01Å; L143-T160 HydrophobicContact CD2-CG2 3.93Å
144	R	98.3	Very high	98.3	Very high	135 Å²	135	79.9 Å²	79.9	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-61.2	-43.6	174.7	-70.3	-171.2	-166.3	109.8	1.8	112.8	V140 E141 S146 L148 S149	V140-R144 WeakPolarHBondContact O-CG 3.33Å; V140-R144 PolarHBondContact O-N 2.92Å; E141-R144 WeakPolarHBondContact O-CB 3.4Å; E141-R144 PolarHBondContact O-N 3.39Å; E141-R144 IonicContact OE2-NH1 3.57Å; E141-R144 PolarHBondContact OE2-NH1 3.24Å; R144-S146 PolarHBondContact O-N 2.9Å; R144-L148 HydrophobicContact CG-CD1 4.12Å; R144-S149 WeakPolarHBondContact O-CB 3.33Å; R144-S149 PolarHBondContact O-N 2.92Å
145	Q	97.9	Very high	98.3	Very high	109 Å²	109	75.5 Å²	75.5	51%	0.509	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.4	-179.5	-67.7	172.5	4.4	0	0	113.7	E141 K142	E141-Q145 WeakPolarHBondContact O-CG 3.33Å; E141-Q145 PolarHBondContact O-N 3.45Å; E141-Q145 PolarHBondContact OE1-NE2 2.91Å; K142-Q145 PolarHBondContact O-N 3.33Å
146	S	98.1	Very high	98.3	Very high	54 Å²	54	76.9 Å²	76.9	38%	0.378	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-101.1	-178.9	59.3	0	0	0	0	110.5	K142 L143 R144 L148 S149	K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 2.91Å; K142-S146 PolarHBondContact O-OG 3.18Å; L143-S146 CarbonylContact O-C 3.51Å; L143-S146 PolarHBondContact O-N 3.26Å; R144-S146 PolarHBondContact O-N 2.9Å; S146-L148 PolarHBondContact O-N 3.46Å; S146-S149 WeakPolarHBondContact O-CB 3.5Å; S146-S149 PolarHBondContact O-N 2.9Å; S146-S149 PolarHBondContact O-OG 3.02Å
147	L	98.2	Very high	98.4	Very high	50 Å²	50	82.2 Å²	82.2	26%	0.262	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-60.8	-38.2	-167.3	-59.6	176.3	0	0	0	114.1	L143 S149 V150 A151 L158 T160 F355	L143-L147 HydrophobicContact CD2-CD1 4Å; L143-L147 PolarHBondContact O-N 3Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 3.29Å; L147-V150 VanDerWaalsContact O-CG2 3.29Å; L147-V150 WeakPolarHBondContact O-CG2 3.26Å; L147-V150 PolarHBondContact O-N 3.38Å; L147-A151 PolarHBondContact O-N 3.36Å; L147-L158 HydrophobicContact CB-CD2 3.63Å; L147-L158 HydrophobicContact CD1-CD1 4.37Å; L147-L158 HydrophobicContact CD1-CD2 4Å; L147-L158 HydrophobicContact CG-CD2 4.47Å; L147-T160 HydrophobicContact CD1-CG2 4.07Å; L147-F355 HydrophobicContact CD1-CE2 4.21Å; L147-F355 HydrophobicContact CD1-CZ 3.96Å; L147-F355 HydrophobicContact CD2-CD2 4.49Å; L147-F355 HydrophobicContact CD2-CE2 3.48Å; L147-F355 VanDerWaalsContact CD2-CE2 3.48Å; L147-F355 HydrophobicContact CD2-CZ 3.7Å; L147-F355 HydrophobicContact CG-CE2 4.44Å; L147-F355 HydrophobicContact CG-CZ 4.31Å
148	L	97.9	Very high	98.4	Very high	71 Å²	71	75.1 Å²	75.1	37%	0.372	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-76.5	-20.1	179.9	-62.1	173.4	0	0	0	112.6	L143 R144 S146 V150 A151 L158	L143-L148 HydrophobicContact CB-CD1 4.02Å; L143-L148 HydrophobicContact CB-CG 4.28Å; L143-L148 WeakPolarHBondContact O-CB 3.39Å; L143-L148 PolarHBondContact O-N 2.75Å; R144-L148 HydrophobicContact CG-CD1 4.12Å; S146-L148 PolarHBondContact O-N 3.46Å; L148-V150 PolarHBondContact O-N 3.13Å; L148-A151 PolarHBondContact O-N 3.45Å; L148-L158 HydrophobicContact CD2-CB 4.02Å; L148-L158 HydrophobicContact CD2-CD2 3.77Å; L148-L158 HydrophobicContact CG-CD2 4.04Å
149	S	98.5	Very high	98.4	Very high	83 Å²	83	77.4 Å²	77.4	58%	0.58	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-70.2	-17.3	174.8	73.9	0	0	0	0	112.8	R144 S146 L147	R144-S149 WeakPolarHBondContact O-CB 3.33Å; R144-S149 PolarHBondContact O-N 2.92Å; S146-S149 WeakPolarHBondContact O-CB 3.5Å; S146-S149 PolarHBondContact O-N 2.9Å; S146-S149 PolarHBondContact O-OG 3.02Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 3.29Å
150	V	98.4	Very high	98.4	Very high	36 Å²	36	77.5 Å²	77.5	22%	0.218	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-120.8	26.2	-179.7	-64	0	0	0	0	111.1	L147 L148 F338 W339	L147-V150 VanDerWaalsContact O-CG2 3.29Å; L147-V150 WeakPolarHBondContact O-CG2 3.26Å; L147-V150 PolarHBondContact O-N 3.38Å; L148-V150 PolarHBondContact O-N 3.13Å; V150-F338 HydrophobicContact CB-CD1 3.93Å; V150-F338 HydrophobicContact CB-CD2 4.42Å; V150-F338 HydrophobicContact CB-CE1 3.81Å; V150-F338 HydrophobicContact CB-CE2 4.31Å; V150-F338 HydrophobicContact CB-CG 4.25Å; V150-F338 HydrophobicContact CB-CZ 4.01Å; V150-F338 HydrophobicContact CG1-CD1 4.27Å; V150-F338 HydrophobicContact CG1-CD2 3.87Å; V150-F338 HydrophobicContact CG1-CE1 4.16Å; V150-F338 HydrophobicContact CG1-CE2 3.73Å; V150-F338 HydrophobicContact CG1-CG 4.14Å; V150-F338 HydrophobicContact CG1-CZ 3.89Å; V150-F338 HydrophobicContact CG2-CD1 4.24Å; V150-F338 HydrophobicContact CG2-CE1 3.62Å; V150-F338 HydrophobicContact CG2-CE2 4.44Å; V150-F338 HydrophobicContact CG2-CZ 3.73Å; V150-W339 HydrophobicContact CG2-CZ2 4.05Å; V150-W339 PolarHBondContact O-NE1 3.11Å
151	A	98.5	Very high	98.4	Very high	52 Å²	52	77.5 Å²	77.5	43%	0.43	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-60.5	130.5	-179.1	0	0	0	0	0	111.7	L147 L148	L147-A151 PolarHBondContact O-N 3.36Å; L148-A151 PolarHBondContact O-N 3.45Å
152	P	98.4	Very high	98.4	Very high	19 Å²	19	77.6 Å²	77.6	12%	0.123	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-60.4	154.6	173.5	-23.2	33.3	0	0	0	112.6	G154 M155 M353	P152-G154 PolarHBondContact O-N 3.48Å; P152-M155 HydrophobicContact CB-CB 4.44Å; P152-M155 HydrophobicContact CB-CG 4.29Å; P152-M155 HydrophobicContact CB-SD 3.88Å; P152-M155 HydrophobicContact CG-SD 4.02Å; P152-M155 PolarHBondContact O-N 2.9Å; P152-M353 HydrophobicContact CG-CE 3.55Å; P152-M353 HydrophobicContact CG-SD 3.62Å
153	K	98.3	Very high	98.4	Very high	116 Å²	116	75.3 Å²	75.3	50%	0.504	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	136.7	177.2	-69.6	-175.2	-179	178.1	0	111.1	M155 D347	K153-M155 PolarHBondContact O-N 2.91Å; K153-D347 IonicContact NZ-OD1 2.8Å; K153-D347 PolarHBondContact NZ-OD1 3.18Å
154	G	98.1	Very high	98.4	Very high	82 Å²	82	74.4 Å²	74.4	85%	0.845	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-9.5	178	0	0	0	0	0	115.3	P152	P152-G154 PolarHBondContact O-N 3.48Å
155	M	98.7	Very high	98.4	Very high	33 Å²	33	69.3 Å²	69.3	16%	0.163	42%	0.42	C	S	.	.			trans	-103.4	95.4	-176.2	-60.6	-173.1	-175.3	0	0	111.7	P152 K153 A350 M353	P152-M155 HydrophobicContact CB-CB 4.44Å; P152-M155 HydrophobicContact CB-CG 4.29Å; P152-M155 HydrophobicContact CB-SD 3.88Å; P152-M155 HydrophobicContact CG-SD 4.02Å; P152-M155 PolarHBondContact O-N 2.9Å; K153-M155 PolarHBondContact O-N 2.91Å; M155-A350 VanDerWaalsContact CE-C 3.5Å; M155-A350 HydrophobicContact CE-CB 3.54Å; M155-A350 WeakPolarHBondContact CE-O 3.26Å; M155-M353 HydrophobicContact CE-CB 3.95Å; M155-M353 HydrophobicContact SD-CB 3.86Å
156	S	98.3	Very high	98.4	Very high	99 Å²	99	65.8 Å²	65.8	69%	0.692	41%	0.407	S	S	*	.			trans	-91.2	-5.2	-179.5	88	0	0	0	0	114.3
157	Q	98.8	Very high	98.5	Very high	166 Å²	166	64 Å²	64	78%	0.776	40%	0.395	S	S	*	.			trans	-108.8	145.6	-174.1	-58	-59.4	-54.3	0	0	110
158	L	98.8	Very high	98.5	Very high	56 Å²	56	61.7 Å²	61.7	29%	0.293	38%	0.383	S	S	.	.			trans	-143.3	131.4	179.7	175.6	64.9	0	0	0	110	L143 L147 L148 F355	L143-L158 HydrophobicContact CD2-CD2 4.01Å; L147-L158 HydrophobicContact CB-CD2 3.63Å; L147-L158 HydrophobicContact CD1-CD1 4.37Å; L147-L158 HydrophobicContact CD1-CD2 4Å; L147-L158 HydrophobicContact CG-CD2 4.47Å; L148-L158 HydrophobicContact CD2-CB 4.02Å; L148-L158 HydrophobicContact CD2-CD2 3.77Å; L148-L158 HydrophobicContact CG-CD2 4.04Å; L158-F355 HydrophobicContact CD1-CE1 4.18Å; L158-F355 HydrophobicContact CD1-CZ 4.06Å
159	I	98.8	Very high	98.5	Very high	127 Å²	127	60.4 Å²	60.4	65%	0.651	38%	0.375	S	S	*	.			trans	-127.8	127.8	169.9	-61	176.4	0	0	0	107.5	M161	I159-M161 HydrophobicContact CG2-CE 3.76Å
160	T	98.7	Very high	98.6	Very high	51 Å²	51	58.6 Å²	58.6	31%	0.313	36%	0.359	S	S	.	.			trans	-86.6	137.3	179.6	55.2	0	0	0	0	111.6	F139 L143 L147	F139-T160 HydrophobicContact CZ-CG2 4.5Å; L143-T160 HydrophobicContact CD2-CG2 3.93Å; L147-T160 HydrophobicContact CD1-CG2 4.07Å
161	M	98.6	Very high	98.6	Very high	76 Å²	76	57.2 Å²	57.2	37%	0.374	35%	0.351	S	S	.	.			trans	-129.6	165.7	175.6	-72.2	-66.7	163.3	0	0	109.4	I159 S167 N170	I159-M161 HydrophobicContact CG2-CE 3.76Å; M161-S167 WeakPolarHBondContact CB-OG 3.28Å; M161-N170 HydrophobicContact CE-CB 3.68Å; M161-N170 WeakPolarHBondContact CE-ND2 3.47Å; M161-N170 HydrophobicContact SD-CB 4.44Å; M161-N170 PolarHBondContact SD-ND2 3.34Å
162	A	98.3	Very high	98.6	Very high	82 Å²	82	54.9 Å²	54.9	68%	0.678	33%	0.331	S	S	*	.	S	Bend	trans	-91	-17.9	-171.8	0	0	0	0	0	114.6	C166	A162-C166 PolarHBondContact N-SG 2.98Å; A162-C166 VanDerWaalsContact N-SG 3.42Å
163	C	98.2	Very high	98.6	Very high	57 Å²	57	59 Å²	59	39%	0.385	35%	0.347	S	S	.	.	S	Bend	trans	-158.3	169	178.8	72.1	0	0	0	0	111.3	S165 C166 S167	C163-S165 PolarHBondContact O-N 3.19Å; C163-C166 PolarHBondContact N-SG 3.1Å; C163-C166 PolarHBondContact O-N 3.2Å; C163-C166 PolarHBondContact O-SG 3.44Å; C163-C166 PolarHBondContact SG-SG 3.23Å; C163-S167 PolarHBondContact O-N 3.38Å; C163-S167 PolarHBondContact O-OG 3.39Å
164	G	98.3	Very high	98.7	Very high	9 Å²	9	56.7 Å²	56.7	9%	0.093	34%	0.343	C	S	.	.	H	α-helix	trans	-55.6	-44.4	177.9	0	0	0	0	0	114.1	C166 S167 N168	G164-C166 PolarHBondContact O-N 3.21Å; G164-S167 WeakPolarHBondContact O-CB 3.5Å; G164-S167 PolarHBondContact O-N 3.49Å; G164-N168 PolarHBondContact O-N 2.96Å
165	S	98.7	Very high	98.7	Very high	27 Å²	27	53 Å²	53	19%	0.189	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-47.4	-178.9	-57.7	0	0	0	0	112.6	C163 S167 N168 E169 G219 C224	C163-S165 PolarHBondContact O-N 3.19Å; S165-S167 VanDerWaalsContact C-N 3.28Å; S165-S167 PolarHBondContact O-N 2.63Å; S165-N168 PolarHBondContact O-N 2.79Å; S165-E169 VanDerWaalsContact O-CG 3.3Å; S165-E169 WeakPolarHBondContact O-CG 3.42Å; S165-E169 PolarHBondContact O-N 3.13Å; S165-G219 WeakPolarHBondContact OG-CA 3.45Å; S165-C224 PolarHBondContact O-SG 3.41Å
166	C	98.6	Very high	98.7	Very high	35 Å²	35	53.5 Å²	53.5	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-71.2	-24.6	178	64.8	0	0	0	0	112.9	A162 C163 G164 N170	A162-C166 PolarHBondContact N-SG 2.98Å; A162-C166 VanDerWaalsContact N-SG 3.42Å; C163-C166 PolarHBondContact N-SG 3.1Å; C163-C166 PolarHBondContact O-N 3.2Å; C163-C166 PolarHBondContact O-SG 3.44Å; C163-C166 PolarHBondContact SG-SG 3.23Å; G164-C166 PolarHBondContact O-N 3.21Å; C166-N170 WeakPolarHBondContact O-CB 3.4Å; C166-N170 PolarHBondContact O-N 3.35Å; C166-N170 VanDerWaalsContact O-N 3.15Å; C166-N170 PolarHBondContact O-ND2 2.9Å
167	S	98.9	Very high	98.7	Very high	16 Å²	16	55.3 Å²	55.3	11%	0.112	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-51.9	168.6	-55.7	0	0	0	0	110.8	M161 C163 G164 S165 N170 A171	M161-S167 WeakPolarHBondContact CB-OG 3.28Å; C163-S167 PolarHBondContact O-N 3.38Å; C163-S167 PolarHBondContact O-OG 3.39Å; G164-S167 WeakPolarHBondContact O-CB 3.5Å; G164-S167 PolarHBondContact O-N 3.49Å; S165-S167 VanDerWaalsContact C-N 3.28Å; S165-S167 PolarHBondContact O-N 2.63Å; S167-N170 PolarHBondContact O-N 2.91Å; S167-A171 WeakPolarHBondContact O-CB 3.36Å; S167-A171 PolarHBondContact O-N 3.38Å
168	N	98.9	Very high	98.7	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.011	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-49.8	177.8	-76.4	-21.5	0	0	0	112.1	G164 S165 N170 A171 L172 H218 D326 T354	G164-N168 PolarHBondContact O-N 2.96Å; S165-N168 PolarHBondContact O-N 2.79Å; N168-N170 VanDerWaalsContact C-N 3.28Å; N168-N170 PolarHBondContact O-N 3.23Å; N168-A171 WeakPolarHBondContact O-CA 3.04Å; N168-A171 WeakPolarHBondContact O-CB 3.27Å; N168-A171 PolarHBondContact O-N 3.29Å; N168-L172 VanDerWaalsContact O-CG 3.31Å; N168-L172 WeakPolarHBondContact O-CG 3.41Å; N168-L172 PolarHBondContact O-N 3.45Å; N168-H218 PolarHBondContact ND2-O 3.2Å; N168-D326 PolarHBondContact ND2-OD2 3.38Å; N168-T354 VanDerWaalsContact OD1-CB 3.28Å; N168-T354 WeakPolarHBondContact OD1-CB 3.4Å; N168-T354 WeakPolarHBondContact OD1-CG2 3.41Å; N168-T354 PolarHBondContact OD1-OG1 3.29Å
169	E	98.9	Very high	98.7	Very high	45 Å²	45	50.5 Å²	50.5	21%	0.21	28%	0.275	C	S	.	.	H	α-helix	trans	-53	-44.2	177	-70.5	-69.6	174.4	0	0	112.4	S165 L172 K173 T221 G223 C224	S165-E169 VanDerWaalsContact O-CG 3.3Å; S165-E169 WeakPolarHBondContact O-CG 3.42Å; S165-E169 PolarHBondContact O-N 3.13Å; E169-L172 PolarHBondContact O-N 3.44Å; E169-K173 WeakPolarHBondContact O-CG 3.33Å; E169-K173 PolarHBondContact O-N 2.76Å; E169-T221 VanDerWaalsContact CG-OG1 3.29Å; E169-T221 WeakPolarHBondContact CG-OG1 3.46Å; E169-T221 VanDerWaalsContact OE1-CB 3.24Å; E169-T221 WeakPolarHBondContact OE1-CB 3.3Å; E169-T221 PolarHBondContact OE1-OG1 3.38Å; E169-G223 VanDerWaalsContact OE1-CA 3.24Å; E169-G223 WeakPolarHBondContact OE1-CA 3.33Å; E169-G223 PolarHBondContact OE1-N 2.8Å; E169-C224 PolarHBondContact OE1-N 2.8Å
170	N	98.9	Very high	98.7	Very high	45 Å²	45	47.2 Å²	47.2	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-75.9	-28.7	179.1	-74.7	-80.7	0	0	0	112.8	M161 C166 S167 N168 K173 T174	M161-N170 HydrophobicContact CE-CB 3.68Å; M161-N170 WeakPolarHBondContact CE-ND2 3.47Å; M161-N170 HydrophobicContact SD-CB 4.44Å; M161-N170 PolarHBondContact SD-ND2 3.34Å; C166-N170 WeakPolarHBondContact O-CB 3.4Å; C166-N170 PolarHBondContact O-N 3.35Å; C166-N170 VanDerWaalsContact O-N 3.15Å; C166-N170 PolarHBondContact O-ND2 2.9Å; S167-N170 PolarHBondContact O-N 2.91Å; N168-N170 VanDerWaalsContact C-N 3.28Å; N168-N170 PolarHBondContact O-N 3.23Å; N170-K173 WeakPolarHBondContact OD1-CE 3.19Å; N170-K173 PolarHBondContact OD1-NZ 3.47Å; N170-T174 WeakPolarHBondContact O-CB 3.17Å; N170-T174 PolarHBondContact O-N 3.34Å; N170-T174 PolarHBondContact O-OG1 3.43Å
171	A	98.9	Very high	98.7	Very high	6 Å²	6	47.9 Å²	47.9	5%	0.05	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-45.5	168.7	0	0	0	0	0	110.8	S167 N168 K173 T174 I175 L324 V352 T354	S167-A171 WeakPolarHBondContact O-CB 3.36Å; S167-A171 PolarHBondContact O-N 3.38Å; N168-A171 WeakPolarHBondContact O-CA 3.04Å; N168-A171 WeakPolarHBondContact O-CB 3.27Å; N168-A171 PolarHBondContact O-N 3.29Å; A171-K173 PolarHBondContact O-N 3.37Å; A171-T174 WeakPolarHBondContact O-CB 3.38Å; A171-T174 PolarHBondContact O-N 2.94Å; A171-I175 VanDerWaalsContact O-CG1 3.3Å; A171-I175 WeakPolarHBondContact O-CG1 3.35Å; A171-I175 PolarHBondContact O-N 3Å; A171-L324 HydrophobicContact CB-CD1 3.84Å; A171-L324 HydrophobicContact CB-CD2 3.84Å; A171-V352 HydrophobicContact CB-CG1 3.9Å; A171-T354 HydrophobicContact CB-CG2 3.74Å
172	L	98.9	Very high	98.7	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-47.2	176.1	-57.6	-167.7	0	0	0	111.3	N168 E169 T174 I175 F176 I210 W243 L324	N168-L172 VanDerWaalsContact O-CG 3.31Å; N168-L172 WeakPolarHBondContact O-CG 3.41Å; N168-L172 PolarHBondContact O-N 3.45Å; E169-L172 PolarHBondContact O-N 3.44Å; L172-T174 PolarHBondContact O-N 2.91Å; L172-I175 WeakPolarHBondContact O-CB 3.5Å; L172-I175 PolarHBondContact O-N 3.32Å; L172-F176 HydrophobicContact CB-CE2 4.05Å; L172-F176 WeakPolarHBondContact O-CD2 3.46Å; L172-F176 VanDerWaalsContact O-CG 3.29Å; L172-F176 WeakPolarHBondContact O-CG 3.5Å; L172-F176 PolarHBondContact O-N 3.2Å; L172-I210 HydrophobicContact CD1-CG1 4.35Å; L172-I210 HydrophobicContact CD2-CB 4.48Å; L172-I210 HydrophobicContact CD2-CD1 4.04Å; L172-I210 HydrophobicContact CD2-CG1 3.89Å; L172-I210 HydrophobicContact CD2-CG2 4Å; L172-I210 HydrophobicContact CG-CG1 4.48Å; L172-W243 HydrophobicContact CD1-CH2 4.17Å; L172-W243 HydrophobicContact CD1-CZ3 4.07Å; L172-L324 HydrophobicContact CD2-CD2 3.78Å
173	K	98.9	Very high	98.7	Very high	107 Å²	107	48.7 Å²	48.7	47%	0.465	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-44.3	175.5	-71.8	-175.4	-60.7	176.1	0	112.6	E169 N170 A171 I175 F176 M177	E169-K173 WeakPolarHBondContact O-CG 3.33Å; E169-K173 PolarHBondContact O-N 2.76Å; N170-K173 WeakPolarHBondContact OD1-CE 3.19Å; N170-K173 PolarHBondContact OD1-NZ 3.47Å; A171-K173 PolarHBondContact O-N 3.37Å; K173-I175 VanDerWaalsContact C-N 3.27Å; K173-I175 PolarHBondContact O-N 3.03Å; K173-F176 PolarHBondContact O-N 3.49Å; K173-M177 WeakPolarHBondContact O-CB 3.4Å; K173-M177 VanDerWaalsContact O-CG 3.28Å; K173-M177 WeakPolarHBondContact O-CG 3.41Å; K173-M177 PolarHBondContact O-N 2.96Å
174	T	98.9	Very high	98.7	Very high	67 Å²	67	47.9 Å²	47.9	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-56.2	-44.4	175.2	-59.8	0	0	0	0	111	N170 A171 L172 M177 W178	N170-T174 WeakPolarHBondContact O-CB 3.17Å; N170-T174 PolarHBondContact O-N 3.34Å; N170-T174 PolarHBondContact O-OG1 3.43Å; A171-T174 WeakPolarHBondContact O-CB 3.38Å; A171-T174 PolarHBondContact O-N 2.94Å; L172-T174 PolarHBondContact O-N 2.91Å; T174-M177 PolarHBondContact O-N 3.48Å; T174-W178 WeakPolarHBondContact O-CB 3.41Å; T174-W178 PolarHBondContact O-N 2.94Å
175	I	98.9	Very high	98.6	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-46.6	177	-69.9	167.9	0	0	0	111.3	A171 L172 K173 M177 W178 Y179 I210 A288 A322 L324 V352	A171-I175 VanDerWaalsContact O-CG1 3.3Å; A171-I175 WeakPolarHBondContact O-CG1 3.35Å; A171-I175 PolarHBondContact O-N 3Å; L172-I175 WeakPolarHBondContact O-CB 3.5Å; L172-I175 PolarHBondContact O-N 3.32Å; K173-I175 VanDerWaalsContact C-N 3.27Å; K173-I175 PolarHBondContact O-N 3.03Å; I175-M177 PolarHBondContact O-N 3.37Å; I175-W178 PolarHBondContact O-N 2.94Å; I175-Y179 WeakPolarHBondContact O-CB 3.22Å; I175-Y179 PolarHBondContact O-N 3.04Å; I175-I210 HydrophobicContact CG2-CD1 4.12Å; I175-A288 HydrophobicContact CG2-CB 3.95Å; I175-A288 WeakPolarHBondContact CG2-O 3.45Å; I175-A322 HydrophobicContact CB-CB 4.29Å; I175-A322 HydrophobicContact CD1-CB 3.95Å; I175-A322 HydrophobicContact CG1-CB 3.67Å; I175-A322 HydrophobicContact CG2-CB 3.76Å; I175-L324 HydrophobicContact CD1-CB 3.95Å; I175-L324 HydrophobicContact CD1-CD2 4.19Å; I175-V352 HydrophobicContact CG1-CG2 4.31Å
176	F	98.9	Very high	98.3	Very high	44 Å²	44	56.6 Å²	56.6	19%	0.193	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-42.4	178	-63.4	-43.5	0	0	0	112.2	L172 K173 Y179 R180 Y208 I210 W243 A288	L172-F176 HydrophobicContact CB-CE2 4.05Å; L172-F176 WeakPolarHBondContact O-CD2 3.46Å; L172-F176 VanDerWaalsContact O-CG 3.29Å; L172-F176 WeakPolarHBondContact O-CG 3.5Å; L172-F176 PolarHBondContact O-N 3.2Å; K173-F176 PolarHBondContact O-N 3.49Å; F176-Y179 PolarHBondContact O-N 3.47Å; F176-R180 PolarHBondContact O-N 3.2Å; F176-Y208 HydrophobicContact CB-CD2 4.5Å; F176-Y208 HydrophobicContact CD1-CD2 4.06Å; F176-Y208 HydrophobicContact CD1-CG 4.44Å; F176-I210 HydrophobicContact CD1-CD1 4.41Å; F176-I210 HydrophobicContact CE1-CD1 3.64Å; F176-I210 HydrophobicContact CE1-CG1 3.7Å; F176-I210 HydrophobicContact CE2-CG1 4.47Å; F176-I210 HydrophobicContact CZ-CD1 3.86Å; F176-I210 HydrophobicContact CZ-CG1 3.48Å; F176-I210 VanDerWaalsContact CZ-CG1 3.48Å; F176-W243 HydrophobicContact CE2-CH2 4.38Å; F176-W243 HydrophobicContact CE2-CZ2 4.44Å; F176-W243 AromaticContact CZ-CH2 3.91Å; F176-W243 HydrophobicContact CZ-CH2 3.91Å; F176-W243 AromaticContact CZ-CZ2 3.79Å; F176-W243 HydrophobicContact CZ-CZ2 3.79Å; F176-A288 HydrophobicContact CD1-CB 3.73Å; F176-A288 HydrophobicContact CE1-CB 4.04Å
177	M	98.8	Very high	98.1	Very high	138 Å²	138	63.4 Å²	63.4	68%	0.68	31%	0.305	S	S	*	.	H	α-helix	trans	-63.2	-45.7	175.7	-71.9	167.4	58.6	0	0	111.6	K173 T174 I175 Y179 R180 S181	K173-M177 WeakPolarHBondContact O-CB 3.4Å; K173-M177 VanDerWaalsContact O-CG 3.28Å; K173-M177 WeakPolarHBondContact O-CG 3.41Å; K173-M177 PolarHBondContact O-N 2.96Å; T174-M177 PolarHBondContact O-N 3.48Å; I175-M177 PolarHBondContact O-N 3.37Å; M177-Y179 VanDerWaalsContact C-N 3.33Å; M177-Y179 PolarHBondContact O-N 3.04Å; M177-R180 PolarHBondContact O-N 3.36Å; M177-S181 WeakPolarHBondContact O-CB 3.28Å; M177-S181 PolarHBondContact O-N 3.43Å
178	W	98.8	Very high	97.9	Very high	102 Å²	102	65.6 Å²	65.6	39%	0.386	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-45.8	174.2	164.3	84.1	0	0	0	111.4	T174 I175 S181 K182 G320 A322	T174-W178 WeakPolarHBondContact O-CB 3.41Å; T174-W178 PolarHBondContact O-N 2.94Å; I175-W178 PolarHBondContact O-N 2.94Å; W178-S181 WeakPolarHBondContact O-CB 3.47Å; W178-S181 PolarHBondContact O-N 3.04Å; W178-K182 HydrophobicContact CD2-CD 4.23Å; W178-K182 HydrophobicContact CH2-CD 4.13Å; W178-K182 VanDerWaalsContact CH2-CE 3.49Å; W178-K182 HydrophobicContact CZ2-CD 3.6Å; W178-K182 VanDerWaalsContact CZ2-CE 3.48Å; W178-K182 VanDerWaalsContact CZ2-NZ 3.31Å; W178-K182 PolarHBondContact O-N 3.11Å; W178-G320 WeakPolarHBondContact CH2-O 3.27Å; W178-A322 HydrophobicContact CE3-CB 4.14Å; W178-A322 HydrophobicContact CH2-CB 4.15Å; W178-A322 HydrophobicContact CZ3-CB 3.71Å
179	Y	98.8	Very high	97.8	Very high	19 Å²	19	72 Å²	72	8%	0.075	36%	0.358	C	S	.	.	H	α-helix	trans	-65.2	-45	-179.5	-154.7	-73.8	0	0	0	111.7	I175 F176 M177 S181 K182 E183 Y208 T286 A288 G320	I175-Y179 WeakPolarHBondContact O-CB 3.22Å; I175-Y179 PolarHBondContact O-N 3.04Å; F176-Y179 PolarHBondContact O-N 3.47Å; M177-Y179 VanDerWaalsContact C-N 3.33Å; M177-Y179 PolarHBondContact O-N 3.04Å; Y179-S181 VanDerWaalsContact C-N 3.28Å; Y179-S181 PolarHBondContact O-N 3.35Å; Y179-K182 WeakPolarHBondContact O-CB 3.24Å; Y179-K182 PolarHBondContact O-N 2.77Å; Y179-K182 VanDerWaalsContact O-N 3.15Å; Y179-E183 HydrophobicContact CD1-CG 4.24Å; Y179-E183 HydrophobicContact CE1-CG 4.14Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.5Å; Y179-E183 PolarHBondContact O-N 3.45Å; Y179-E183 VanDerWaalsContact O-N 3.17Å; Y179-Y208 HydrophobicContact CD1-CE1 4.31Å; Y179-Y208 HydrophobicContact CD1-CE2 4.04Å; Y179-Y208 AromaticContact CD1-CZ 3.78Å; Y179-Y208 HydrophobicContact CG-CE2 4.48Å; Y179-T286 HydrophobicContact CE1-CG2 3.72Å; Y179-T286 HydrophobicContact CE2-CG2 4.31Å; Y179-T286 VanDerWaalsContact CZ-CG2 3.47Å; Y179-T286 WeakPolarHBondContact OH-CG2 3.39Å; Y179-A288 VanDerWaalsContact CD2-CA 3.47Å; Y179-A288 HydrophobicContact CD2-CB 3.81Å; Y179-A288 HydrophobicContact CG-CB 3.94Å; Y179-G320 VanDerWaalsContact CE2-O 3.31Å; Y179-G320 WeakPolarHBondContact CE2-O 3.48Å
180	R	98.5	Very high	97.8	Very high	57 Å²	57	72.1 Å²	72.1	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-58.9	-40	171.9	-78.5	-50.5	-71.1	167.8	-5.5	112.2	F176 M177 K182 E183 R184 E193 P206 Y208	F176-R180 PolarHBondContact O-N 3.2Å; M177-R180 PolarHBondContact O-N 3.36Å; R180-K182 VanDerWaalsContact C-N 3.3Å; R180-K182 PolarHBondContact O-N 3.12Å; R180-E183 IonicContact CZ-OE2 3.98Å; R180-E183 IonicContact NH1-OE2 2.74Å; R180-E183 PolarHBondContact NH1-OE2 2.94Å; R180-E183 PolarHBondContact O-N 3.44Å; R180-R184 VanDerWaalsContact O-CB 3.3Å; R180-R184 WeakPolarHBondContact O-CB 3.4Å; R180-R184 PolarHBondContact O-N 2.84Å; R180-E193 IonicContact CZ-OE1 3.74Å; R180-E193 IonicContact NE-OE1 3.54Å; R180-E193 IonicContact NH2-OE1 3.08Å; R180-E193 PolarHBondContact NH2-OE1 2.68Å; R180-P206 HydrophobicContact CG-CG 4.1Å; R180-Y208 VanDerWaalsContact CD-CZ 3.48Å; R180-Y208 WeakPolarHBondContact CD-OH 3.44Å; R180-Y208 HydrophobicContact CG-CE2 3.66Å; R180-Y208 PolarHBondContact NH1-OH 2.79Å
181	S	98.4	Very high	97.8	Very high	66 Å²	66	75.8 Å²	75.8	46%	0.462	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-38.8	177.1	-169.5	0	0	0	0	111.8	M177 W178 Y179 G185	M177-S181 WeakPolarHBondContact O-CB 3.28Å; M177-S181 PolarHBondContact O-N 3.43Å; W178-S181 WeakPolarHBondContact O-CB 3.47Å; W178-S181 PolarHBondContact O-N 3.04Å; Y179-S181 VanDerWaalsContact C-N 3.28Å; Y179-S181 PolarHBondContact O-N 3.35Å; S181-G185 WeakPolarHBondContact O-CA 3.41Å; S181-G185 PolarHBondContact O-N 2.83Å
182	K	98	Very high	97.8	Very high	89 Å²	89	81.1 Å²	81.1	39%	0.387	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-44.8	174.8	-69.3	-173.6	-63	172.7	0	112.2	W178 Y179 R180 G320	W178-K182 HydrophobicContact CD2-CD 4.23Å; W178-K182 HydrophobicContact CH2-CD 4.13Å; W178-K182 VanDerWaalsContact CH2-CE 3.49Å; W178-K182 HydrophobicContact CZ2-CD 3.6Å; W178-K182 VanDerWaalsContact CZ2-CE 3.48Å; W178-K182 VanDerWaalsContact CZ2-NZ 3.31Å; W178-K182 PolarHBondContact O-N 3.11Å; Y179-K182 WeakPolarHBondContact O-CB 3.24Å; Y179-K182 PolarHBondContact O-N 2.77Å; Y179-K182 VanDerWaalsContact O-N 3.15Å; R180-K182 VanDerWaalsContact C-N 3.3Å; R180-K182 PolarHBondContact O-N 3.12Å; K182-G320 PolarHBondContact NZ-O 2.94Å
183	E	97.9	Very high	97.8	Very high	86 Å²	86	81.8 Å²	81.8	40%	0.402	41%	0.407	S	S	.	.	H	α-helix	trans	-70	-40.6	-179.5	-69.4	-171.7	169.8	0	0	112.7	Y179 R180 R187 Y208	Y179-E183 HydrophobicContact CD1-CG 4.24Å; Y179-E183 HydrophobicContact CE1-CG 4.14Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.5Å; Y179-E183 PolarHBondContact O-N 3.45Å; Y179-E183 VanDerWaalsContact O-N 3.17Å; R180-E183 IonicContact CZ-OE2 3.98Å; R180-E183 IonicContact NH1-OE2 2.74Å; R180-E183 PolarHBondContact NH1-OE2 2.94Å; R180-E183 PolarHBondContact O-N 3.44Å; E183-R187 PolarHBondContact O-NH2 3.3Å; E183-Y208 PolarHBondContact OE1-OH 3.04Å; E183-Y208 PolarHBondContact OE2-OH 3.29Å
184	R	97.8	Very high	97.7	Very high	39 Å²	39	80.6 Å²	80.6	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-77.1	-28.7	-178.7	-172.5	162.5	63.2	-144.5	-6	112.4	R180 R187 G188 F189 E193	R180-R184 VanDerWaalsContact O-CB 3.3Å; R180-R184 WeakPolarHBondContact O-CB 3.4Å; R180-R184 PolarHBondContact O-N 2.84Å; R184-R187 HydrophobicContact CG-CB 3.77Å; R184-R187 PolarHBondContact NE-O 3.31Å; R184-R187 PolarHBondContact O-NE 2.87Å; R184-R187 PolarHBondContact O-NH2 3.36Å; R184-G188 WeakPolarHBondContact CD-O 3.46Å; R184-F189 VanDerWaalsContact CZ-CD1 3.47Å; R184-E193 IonicContact CZ-OE2 3.79Å; R184-E193 IonicContact NH1-OE1 3.42Å; R184-E193 PolarHBondContact NH1-OE1 2.94Å; R184-E193 IonicContact NH1-OE2 3.76Å; R184-E193 PolarHBondContact NH1-OE2 3.12Å
185	G	96.8	Very high	97.7	Very high	42 Å²	42	82.9 Å²	82.9	43%	0.433	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	-141.8	-173.3	0	0	0	0	0	111.3	S181 R187	S181-G185 WeakPolarHBondContact O-CA 3.41Å; S181-G185 PolarHBondContact O-N 2.83Å; G185-R187 PolarHBondContact O-N 3.35Å
186	Q	93.1	Very high	97.7	Very high	178 Å²	178	83.6 Å²	83.6	83%	0.832	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	10.2	-179	-63.7	-175.4	-8.2	0	0	114.3
187	R	94.4	Very high	97.7	Very high	177 Å²	177	83.8 Å²	83.8	67%	0.668	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-76.1	141.8	178.1	-66.7	175.8	-76.6	-179.2	-4.2	110.3	E183 R184 G185	E183-R187 PolarHBondContact O-NH2 3.3Å; R184-R187 HydrophobicContact CG-CB 3.77Å; R184-R187 PolarHBondContact NE-O 3.31Å; R184-R187 PolarHBondContact O-NE 2.87Å; R184-R187 PolarHBondContact O-NH2 3.36Å; G185-R187 PolarHBondContact O-N 3.35Å
188	G	93.5	Very high	97.7	Very high	62 Å²	62	84.5 Å²	84.5	64%	0.639	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-66.3	171.2	168.8	0	0	0	0	0	112	R184	R184-G188 WeakPolarHBondContact CD-O 3.46Å
189	F	98.2	Very high	97.7	Very high	137 Å²	137	84.5 Å²	84.5	60%	0.601	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-60.6	138.2	173.1	-60.5	-80.4	0	0	0	110.5	R184 E193 L194	R184-F189 VanDerWaalsContact CZ-CD1 3.47Å; F189-E193 WeakPolarHBondContact CA-OE2 3.42Å; F189-L194 HydrophobicContact CB-CD1 4.34Å; F189-L194 HydrophobicContact CB-CD2 3.9Å; F189-L194 HydrophobicContact CB-CG 3.96Å; F189-L194 HydrophobicContact CG-CD2 4.24Å
190	S	98.1	Very high	97.7	Very high	47 Å²	47	90.4 Å²	90.4	33%	0.329	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-74.7	156.2	170.3	78	0	0	0	0	110.4	E192 E193 L194	S190-E192 PolarHBondContact O-N 3.48Å; S190-E193 PolarHBondContact N-OE2 3.48Å; S190-E193 VanDerWaalsContact N-OE2 3.08Å; S190-E193 PolarHBondContact O-N 2.87Å; S190-E193 WeakPolarHBondContact OG-CB 3.39Å; S190-E193 VanDerWaalsContact OG-CG 3.31Å; S190-E193 WeakPolarHBondContact OG-CG 3.42Å; S190-E193 PolarHBondContact OG-N 3.08Å; S190-L194 WeakPolarHBondContact O-CG 3.49Å; S190-L194 PolarHBondContact O-N 2.74Å; S190-L194 VanDerWaalsContact O-N 3.1Å
191	Q	98.6	Very high	97.7	Very high	123 Å²	123	92.9 Å²	92.9	58%	0.575	48%	0.479	S	S	*	.	H	α-helix	trans	-59.4	-40.1	174.7	-173.5	60.7	26.6	0	0	111.4	E193 L194 E195	Q191-E193 PolarHBondContact O-N 2.84Å; Q191-L194 PolarHBondContact O-N 2.91Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.34Å; Q191-E195 PolarHBondContact NE2-OE1 2.93Å; Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 3.18Å
192	E	98.6	Very high	97.7	Very high	117 Å²	117	93 Å²	93	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-42	175.7	-170.4	-172.3	-174.8	0	0	112.2	S190 L194 E195 T196 P203	S190-E192 PolarHBondContact O-N 3.48Å; E192-L194 VanDerWaalsContact C-N 3.31Å; E192-L194 PolarHBondContact O-N 3.35Å; E192-E195 PolarHBondContact O-N 3.07Å; E192-T196 HydrophobicContact CG-CG2 4.18Å; E192-T196 WeakPolarHBondContact O-CB 3.31Å; E192-T196 WeakPolarHBondContact O-CG2 3.12Å; E192-T196 PolarHBondContact O-N 3.3Å; E192-T196 PolarHBondContact O-OG1 3.34Å; E192-P203 HydrophobicContact CB-CG 4.44Å; E192-P203 HydrophobicContact CG-CG 3.9Å
193	E	98.7	Very high	97.7	Very high	18 Å²	18	90.7 Å²	90.7	8%	0.084	48%	0.478	C	S	.	.	H	α-helix	trans	-61.2	-40.2	174.7	-76.7	176.9	149	0	0	111.4	R180 R184 F189 S190 Q191 C197 P203 G204	R180-E193 IonicContact CZ-OE1 3.74Å; R180-E193 IonicContact NE-OE1 3.54Å; R180-E193 IonicContact NH2-OE1 3.08Å; R180-E193 PolarHBondContact NH2-OE1 2.68Å; R184-E193 IonicContact CZ-OE2 3.79Å; R184-E193 IonicContact NH1-OE1 3.42Å; R184-E193 PolarHBondContact NH1-OE1 2.94Å; R184-E193 IonicContact NH1-OE2 3.76Å; R184-E193 PolarHBondContact NH1-OE2 3.12Å; F189-E193 WeakPolarHBondContact CA-OE2 3.42Å; S190-E193 PolarHBondContact N-OE2 3.48Å; S190-E193 VanDerWaalsContact N-OE2 3.08Å; S190-E193 PolarHBondContact O-N 2.87Å; S190-E193 WeakPolarHBondContact OG-CB 3.39Å; S190-E193 VanDerWaalsContact OG-CG 3.31Å; S190-E193 WeakPolarHBondContact OG-CG 3.42Å; S190-E193 PolarHBondContact OG-N 3.08Å; Q191-E193 PolarHBondContact O-N 2.84Å; E193-C197 VanDerWaalsContact O-CB 3.32Å; E193-C197 WeakPolarHBondContact O-CB 3.29Å; E193-C197 PolarHBondContact O-N 2.88Å; E193-C197 PolarHBondContact O-SG 3.04Å; E193-P203 HydrophobicContact CG-CB 4.21Å; E193-P203 HydrophobicContact CG-CG 4Å; E193-G204 VanDerWaalsContact O-CA 3.24Å; E193-G204 WeakPolarHBondContact O-CA 3.45Å
194	L	98.8	Very high	97.7	Very high	81 Å²	81	87.6 Å²	87.6	42%	0.424	47%	0.469	S	S	.	.	H	α-helix	trans	-68.6	-39.4	179.2	-67	171.7	0	0	0	112.2	F189 S190 Q191 E192 C197	F189-L194 HydrophobicContact CB-CD1 4.34Å; F189-L194 HydrophobicContact CB-CD2 3.9Å; F189-L194 HydrophobicContact CB-CG 3.96Å; F189-L194 HydrophobicContact CG-CD2 4.24Å; S190-L194 WeakPolarHBondContact O-CG 3.49Å; S190-L194 PolarHBondContact O-N 2.74Å; S190-L194 VanDerWaalsContact O-N 3.1Å; Q191-L194 PolarHBondContact O-N 2.91Å; E192-L194 VanDerWaalsContact C-N 3.31Å; E192-L194 PolarHBondContact O-N 3.35Å; L194-C197 PolarHBondContact O-SG 2.85Å
195	E	98.8	Very high	97.8	Very high	116 Å²	116	88 Å²	88	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-74.9	-47	-179.7	-71.6	169.8	-177.1	0	0	111.8	Q191 E192 C197 M198	Q191-E195 WeakPolarHBondContact CG-OE1 3.34Å; Q191-E195 PolarHBondContact NE2-OE1 2.93Å; Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 3.18Å; E192-E195 PolarHBondContact O-N 3.07Å; E195-C197 PolarHBondContact O-N 3.03Å; E195-M198 PolarHBondContact O-N 3.41Å
196	T	98.9	Very high	97.9	Very high	18 Å²	18	88.2 Å²	88.2	11%	0.11	47%	0.471	C	S	.	.	H	α-helix	trans	-72.2	-29.8	-175.2	55.3	0	0	0	0	113.2	E192 M198 I199 N200 Q201 A202 P203 G204	E192-T196 HydrophobicContact CG-CG2 4.18Å; E192-T196 WeakPolarHBondContact O-CB 3.31Å; E192-T196 WeakPolarHBondContact O-CG2 3.12Å; E192-T196 PolarHBondContact O-N 3.3Å; E192-T196 PolarHBondContact O-OG1 3.34Å; T196-M198 VanDerWaalsContact C-N 3.27Å; T196-M198 PolarHBondContact O-N 3.47Å; T196-I199 WeakPolarHBondContact O-CG1 3.19Å; T196-I199 PolarHBondContact O-N 3.03Å; T196-N200 PolarHBondContact O-N 3.14Å; T196-Q201 CarbonylContact C-O 3.46Å; T196-Q201 WeakPolarHBondContact CB-O 3.45Å; T196-Q201 PolarHBondContact O-N 3.44Å; T196-A202 WeakPolarHBondContact CG2-O 3.07Å; T196-P203 WeakPolarHBondContact OG1-CD 3.42Å; T196-G204 WeakPolarHBondContact OG1-CA 3.42Å; T196-G204 PolarHBondContact OG1-N 3.07Å
197	C	98.6	Very high	98.1	Very high	47 Å²	47	83.6 Å²	83.6	32%	0.318	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-30.2	177.9	69.6	0	0	0	0	113	E193 L194 E195 I199 N200	E193-C197 VanDerWaalsContact O-CB 3.32Å; E193-C197 WeakPolarHBondContact O-CB 3.29Å; E193-C197 PolarHBondContact O-N 2.88Å; E193-C197 PolarHBondContact O-SG 3.04Å; L194-C197 PolarHBondContact O-SG 2.85Å; E195-C197 PolarHBondContact O-N 3.03Å; C197-I199 PolarHBondContact O-N 2.91Å; C197-N200 PolarHBondContact O-N 3.22Å
198	M	98.7	Very high	98.3	Very high	154 Å²	154	76 Å²	76	76%	0.759	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.1	178.8	-66.7	-58.1	-59.2	0	0	113.4	E195 T196	E195-M198 PolarHBondContact O-N 3.41Å; T196-M198 VanDerWaalsContact C-N 3.27Å; T196-M198 PolarHBondContact O-N 3.47Å
199	I	98.6	Very high	98.6	Very high	102 Å²	102	73.1 Å²	73.1	52%	0.523	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	20.8	-179.4	61.6	169.1	0	0	0	112.5	T196 C197 Q201	T196-I199 WeakPolarHBondContact O-CG1 3.19Å; T196-I199 PolarHBondContact O-N 3.03Å; C197-I199 PolarHBondContact O-N 2.91Å; I199-Q201 VanDerWaalsContact C-N 3.33Å; I199-Q201 HydrophobicContact CD1-CG 4.3Å; I199-Q201 HydrophobicContact CG1-CB 4.27Å; I199-Q201 HydrophobicContact CG1-CG 4.19Å; I199-Q201 PolarHBondContact O-N 3.43Å
200	N	98.7	Very high	98.6	Very high	142 Å²	142	66.6 Å²	66.6	76%	0.759	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	33.9	176.8	-54.1	-21.5	0	0	0	114.4	T196 C197	T196-N200 PolarHBondContact O-N 3.14Å; C197-N200 PolarHBondContact O-N 3.22Å
201	Q	98.8	Very high	98.7	Very high	110 Å²	110	64.4 Å²	64.4	51%	0.514	35%	0.349	S	S	.	.			trans	-118.4	155.3	-178.9	-69.3	-178.3	7.8	0	0	112.7	T196 I199 G204 C205	T196-Q201 CarbonylContact C-O 3.46Å; T196-Q201 WeakPolarHBondContact CB-O 3.45Å; T196-Q201 PolarHBondContact O-N 3.44Å; I199-Q201 VanDerWaalsContact C-N 3.33Å; I199-Q201 HydrophobicContact CD1-CG 4.3Å; I199-Q201 HydrophobicContact CG1-CB 4.27Å; I199-Q201 HydrophobicContact CG1-CG 4.19Å; I199-Q201 PolarHBondContact O-N 3.43Å; Q201-G204 PolarHBondContact O-N 3.01Å; Q201-C205 WeakPolarHBondContact O-CB 3.47Å; Q201-C205 PolarHBondContact O-N 3.22Å
202	A	98.3	Very high	98.7	Very high	69 Å²	69	58.5 Å²	58.5	57%	0.57	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	153	168.2	0	0	0	0	0	110.8	T196	T196-A202 WeakPolarHBondContact CG2-O 3.07Å
203	P	98.3	Very high	98.7	Very high	39 Å²	39	53 Å²	53	25%	0.253	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.2	-8.4	1.6	33.5	-36.3	0	0	0	114.8	E192 E193 T196 C205	E192-P203 HydrophobicContact CB-CG 4.44Å; E192-P203 HydrophobicContact CG-CG 3.9Å; E193-P203 HydrophobicContact CG-CB 4.21Å; E193-P203 HydrophobicContact CG-CG 4Å; T196-P203 WeakPolarHBondContact OG1-CD 3.42Å; P203-C205 PolarHBondContact O-N 3.2Å
204	G	98.5	Very high	98.7	Very high	22 Å²	22	57.1 Å²	57.1	23%	0.227	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-38.2	-178.9	0	0	0	0	0	113.9	E193 T196 Q201 P206	E193-G204 VanDerWaalsContact O-CA 3.24Å; E193-G204 WeakPolarHBondContact O-CA 3.45Å; T196-G204 WeakPolarHBondContact OG1-CA 3.42Å; T196-G204 PolarHBondContact OG1-N 3.07Å; Q201-G204 PolarHBondContact O-N 3.01Å; G204-P206 WeakPolarHBondContact O-CD 3.24Å
205	C	98.7	Very high	98.7	Very high	47 Å²	47	53.7 Å²	53.7	32%	0.318	30%	0.301	S	S	.	.	S	Bend	trans	-103.6	98.8	169.2	-63	0	0	0	0	109.4	Q201 P203	Q201-C205 WeakPolarHBondContact O-CB 3.47Å; Q201-C205 PolarHBondContact O-N 3.22Å; P203-C205 PolarHBondContact O-N 3.2Å
206	P	98.5	Very high	98.7	Very high	46 Å²	46	48.2 Å²	48.2	30%	0.299	28%	0.276	S	S	.	.			trans	-70.5	145.3	-179.7	30.3	-35.6	0	0	0	111.2	R180 G204 Y208	R180-P206 HydrophobicContact CG-CG 4.1Å; G204-P206 WeakPolarHBondContact O-CD 3.24Å; P206-Y208 HydrophobicContact CB-CD1 4.15Å; P206-Y208 HydrophobicContact CB-CD2 3.79Å; P206-Y208 HydrophobicContact CB-CE1 4.15Å; P206-Y208 HydrophobicContact CB-CE2 3.81Å; P206-Y208 HydrophobicContact CB-CG 3.98Å; P206-Y208 HydrophobicContact CG-CD2 3.7Å; P206-Y208 HydrophobicContact CG-CE2 3.88Å; P206-Y208 HydrophobicContact CG-CG 4.27Å; P206-Y208 PolarHBondContact O-N 3.46Å
207	D	98.6	Very high	98.7	Very high	82 Å²	82	49.6 Å²	49.6	44%	0.439	28%	0.28	S	S	.	.			trans	-84.1	50.9	175.3	-166.2	18.6	0	0	0	111.1	K285	D207-K285 WeakPolarHBondContact O-CA 3.44Å; D207-K285 IonicContact OD1-NZ 2.82Å; D207-K285 PolarHBondContact OD1-NZ 2.66Å; D207-K285 WeakPolarHBondContact OD2-CG 3.24Å; D207-K285 IonicContact OD2-NZ 3.84Å; D207-K285 PolarHBondContact OD2-NZ 2.74Å
208	Y	98.9	Very high	98.7	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.071	27%	0.266	C	S	.	.			trans	-77.6	162.6	177.1	-65.7	-27.3	0	0	0	112.6	F176 Y179 R180 E183 P206 W243 T286 A288	F176-Y208 HydrophobicContact CB-CD2 4.5Å; F176-Y208 HydrophobicContact CD1-CD2 4.06Å; F176-Y208 HydrophobicContact CD1-CG 4.44Å; Y179-Y208 HydrophobicContact CD1-CE1 4.31Å; Y179-Y208 HydrophobicContact CD1-CE2 4.04Å; Y179-Y208 AromaticContact CD1-CZ 3.78Å; Y179-Y208 HydrophobicContact CG-CE2 4.48Å; R180-Y208 VanDerWaalsContact CD-CZ 3.48Å; R180-Y208 WeakPolarHBondContact CD-OH 3.44Å; R180-Y208 HydrophobicContact CG-CE2 3.66Å; R180-Y208 PolarHBondContact NH1-OH 2.79Å; E183-Y208 PolarHBondContact OE1-OH 3.04Å; E183-Y208 PolarHBondContact OE2-OH 3.29Å; P206-Y208 HydrophobicContact CB-CD1 4.15Å; P206-Y208 HydrophobicContact CB-CD2 3.79Å; P206-Y208 HydrophobicContact CB-CE1 4.15Å; P206-Y208 HydrophobicContact CB-CE2 3.81Å; P206-Y208 HydrophobicContact CB-CG 3.98Å; P206-Y208 HydrophobicContact CG-CD2 3.7Å; P206-Y208 HydrophobicContact CG-CE2 3.88Å; P206-Y208 HydrophobicContact CG-CG 4.27Å; P206-Y208 PolarHBondContact O-N 3.46Å; Y208-W243 PolarHBondContact O-NE1 2.78Å; Y208-T286 WeakPolarHBondContact CA-O 3.45Å; Y208-A288 HydrophobicContact CD2-CB 4.4Å; Y208-A288 HydrophobicContact CG-CB 4.45Å
209	S	98.9	Very high	98.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158.5	176.3	64.6	0	0	0	0	113.2	K285 T286 V287 A288	S209-K285 PolarHBondContact OG-O 3.15Å; S209-T286 PolarHBondContact N-O 3.5Å; S209-T286 PolarHBondContact OG-O 3.06Å; S209-V287 CarbonylContact O-C 3.39Å; S209-V287 WeakPolarHBondContact O-CA 3.49Å; S209-V287 WeakPolarHBondContact OG-CA 3.45Å; S209-V287 WeakPolarHBondContact OG-CG2 3.37Å; S209-A288 PolarHBondContact O-N 2.97Å
210	I	98.9	Very high	98.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.2	169.3	-61.1	-68.9	0	0	0	107	L172 I175 F176 T227 W243 G289 I291	L172-I210 HydrophobicContact CD1-CG1 4.35Å; L172-I210 HydrophobicContact CD2-CB 4.48Å; L172-I210 HydrophobicContact CD2-CD1 4.04Å; L172-I210 HydrophobicContact CD2-CG1 3.89Å; L172-I210 HydrophobicContact CD2-CG2 4Å; L172-I210 HydrophobicContact CG-CG1 4.48Å; I175-I210 HydrophobicContact CG2-CD1 4.12Å; F176-I210 HydrophobicContact CD1-CD1 4.41Å; F176-I210 HydrophobicContact CE1-CD1 3.64Å; F176-I210 HydrophobicContact CE1-CG1 3.7Å; F176-I210 HydrophobicContact CE2-CG1 4.47Å; F176-I210 HydrophobicContact CZ-CD1 3.86Å; F176-I210 HydrophobicContact CZ-CG1 3.48Å; F176-I210 VanDerWaalsContact CZ-CG1 3.48Å; I210-T227 HydrophobicContact CB-CG2 4.17Å; I210-T227 HydrophobicContact CG2-CG2 3.85Å; I210-W243 HydrophobicContact CB-CD2 4.39Å; I210-W243 HydrophobicContact CB-CE3 3.79Å; I210-W243 HydrophobicContact CB-CH2 4.43Å; I210-W243 HydrophobicContact CB-CZ3 3.83Å; I210-W243 HydrophobicContact CG1-CE3 4.37Å; I210-W243 HydrophobicContact CG1-CH2 4.13Å; I210-W243 HydrophobicContact CG1-CZ3 3.99Å; I210-W243 WeakPolarHBondContact O-CB 3.49Å; I210-G289 WeakPolarHBondContact CA-O 3.21Å; I210-I291 HydrophobicContact CG2-CB 4.17Å; I210-I291 HydrophobicContact CG2-CG2 3.7Å
211	L	98.9	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.7	174	-173.8	149.2	0	0	0	109.1	F213 P244 A246 V273 L276 I277 V287 G289 I290 I291	L211-F213 HydrophobicContact CD2-CE2 4.07Å; L211-F213 HydrophobicContact CD2-CZ 4.13Å; L211-P244 WeakPolarHBondContact CA-O 3.39Å; L211-P244 HydrophobicContact CB-CB 4.44Å; L211-P244 HydrophobicContact CB-CG 3.88Å; L211-P244 HydrophobicContact CD1-CB 4.09Å; L211-P244 HydrophobicContact CD1-CG 4.18Å; L211-P244 HydrophobicContact CG-CB 4.16Å; L211-P244 HydrophobicContact CG-CG 4.15Å; L211-A246 HydrophobicContact CD2-CB 4.01Å; L211-V273 HydrophobicContact CD1-CG1 4.09Å; L211-V273 HydrophobicContact CD2-CG1 4.27Å; L211-V273 HydrophobicContact CD2-CG2 4.43Å; L211-L276 HydrophobicContact CD1-CB 3.94Å; L211-L276 HydrophobicContact CD1-CD1 4.48Å; L211-I277 HydrophobicContact CD1-CG1 3.99Å; L211-V287 HydrophobicContact CB-CG1 3.78Å; L211-G289 PolarHBondContact N-O 2.99Å; L211-I290 HydrophobicContact CB-CG1 4.11Å; L211-I290 HydrophobicContact CD2-CG1 4.34Å; L211-I290 HydrophobicContact CD2-CG2 3.94Å; L211-I290 WeakPolarHBondContact O-CA 3.44Å; L211-I291 PolarHBondContact O-N 2.85Å
212	S	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	174.7	178.6	54.2	0	0	0	0	110.3	T227 H229 P244 I245 A246	S212-T227 WeakPolarHBondContact CB-O 3.28Å; S212-H229 PolarHBondContact OG-NE2 3.11Å; S212-P244 PolarHBondContact N-O 3.04Å; S212-P244 VanDerWaalsContact N-O 3.13Å; S212-I245 CarbonylContact O-C 3.39Å; S212-I245 WeakPolarHBondContact O-CA 3.35Å; S212-A246 PolarHBondContact O-N 3.41Å
213	F	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143	-174.1	-68.5	-93.8	0	0	0	112	L211 G215 A216 H229 A246 P247 F248 V273 I290 I291 V292 F308 L312	L211-F213 HydrophobicContact CD2-CE2 4.07Å; L211-F213 HydrophobicContact CD2-CZ 4.13Å; F213-G215 PolarHBondContact O-N 3.44Å; F213-A216 WeakPolarHBondContact O-CB 3.36Å; F213-A216 PolarHBondContact O-N 3.35Å; F213-A216 VanDerWaalsContact O-N 3.08Å; F213-H229 PolarHBondContact O-CD2 3.43Å; F213-H229 VanDerWaalsContact O-CD2 3.28Å; F213-A246 CarbonylContact C-O 3.37Å; F213-A246 VanDerWaalsContact CA-O 3.3Å; F213-A246 WeakPolarHBondContact CA-O 3.47Å; F213-A246 HydrophobicContact CD1-CB 3.95Å; F213-A246 HydrophobicContact CE1-CB 3.92Å; F213-P247 WeakPolarHBondContact CD1-O 3.46Å; F213-F248 HydrophobicContact CB-CB 4.17Å; F213-F248 HydrophobicContact CB-CD2 4.24Å; F213-F248 HydrophobicContact CD1-CB 4.38Å; F213-F248 HydrophobicContact CD1-CD2 4.15Å; F213-F248 HydrophobicContact CG-CD2 4.23Å; F213-V273 HydrophobicContact CE1-CG2 3.71Å; F213-V273 HydrophobicContact CZ-CG2 3.89Å; F213-I290 HydrophobicContact CE2-CG2 3.82Å; F213-I290 HydrophobicContact CZ-CG2 4.35Å; F213-I291 WeakPolarHBondContact CD2-O 3.29Å; F213-V292 HydrophobicContact CD2-CB 3.96Å; F213-V292 HydrophobicContact CD2-CG2 3.73Å; F213-V292 HydrophobicContact CE2-CB 3.79Å; F213-V292 HydrophobicContact CE2-CG2 3.75Å; F213-V292 HydrophobicContact CG-CG2 4.46Å; F213-V292 HydrophobicContact CZ-CG2 4.48Å; F213-F308 HydrophobicContact CE1-CZ 4.18Å; F213-L312 HydrophobicContact CE1-CD2 4.46Å; F213-L312 HydrophobicContact CE2-CD2 3.97Å; F213-L312 HydrophobicContact CZ-CD1 3.88Å; F213-L312 HydrophobicContact CZ-CD2 3.53Å; F213-L312 HydrophobicContact CZ-CG 4.36Å
214	M	98.9	Very high	98.8	Very high	105 Å²	105	33.4 Å²	33.4	52%	0.517	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	139.8	167.8	-175.6	55.7	64.7	0	0	109.7	A216 H229 I245 A246 F248 Q296	M214-A216 VanDerWaalsContact C-N 3.29Å; M214-A216 PolarHBondContact O-N 3.25Å; M214-H229 HydrophobicContact SD-CB 3.9Å; M214-I245 HydrophobicContact CB-CG2 4.46Å; M214-I245 HydrophobicContact CE-CG2 4.21Å; M214-A246 PolarHBondContact N-O 3.36Å; M214-F248 WeakPolarHBondContact O-CB 3.42Å; M214-Q296 PolarHBondContact O-NE2 3.18Å; M214-Q296 PolarHBondContact O-OE1 3.45Å
215	G	98.6	Very high	98.8	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-17.1	-173.2	0	0	0	0	0	114.8	F213 H229 G299	F213-G215 PolarHBondContact O-N 3.44Å; G215-H229 WeakPolarHBondContact CA-O 3.32Å; G215-H229 PolarHBondContact N-O 3.28Å; G215-H229 VanDerWaalsContact N-O 3.09Å; G215-G299 WeakPolarHBondContact O-CA 3.23Å; G215-G299 PolarHBondContact O-N 2.75Å
216	A	98.8	Very high	98.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	16%	0.157	C	C	.	.			trans	-66.2	156.6	-172.2	0	0	0	0	0	114.4	F213 M214 T228 H229 S230 E293	F213-A216 WeakPolarHBondContact O-CB 3.36Å; F213-A216 PolarHBondContact O-N 3.35Å; F213-A216 VanDerWaalsContact O-N 3.08Å; M214-A216 VanDerWaalsContact C-N 3.29Å; M214-A216 PolarHBondContact O-N 3.25Å; A216-T228 CarbonylContact O-C 3.51Å; A216-T228 WeakPolarHBondContact O-CA 3.41Å; A216-H229 CarbonylContact O-C 3.55Å; A216-H229 PolarHBondContact O-N 3.08Å; A216-S230 PolarHBondContact O-N 3.5Å; A216-E293 WeakPolarHBondContact CA-OE2 3.34Å
217	F	98.9	Very high	98.8	Very high	47 Å²	47	28.7 Å²	28.7	21%	0.206	14%	0.143	C	C	.	.			trans	-138.4	112.9	168.7	-175.1	-83.8	0	0	0	111.6	R220 T228 S230 H234 E293 E298	F217-R220 HydrophobicContact CE2-CG 4.29Å; F217-R220 HydrophobicContact CZ-CG 4.05Å; F217-T228 HydrophobicContact CB-CG2 4.4Å; F217-T228 HydrophobicContact CD2-CG2 3.74Å; F217-T228 HydrophobicContact CE2-CG2 4.41Å; F217-T228 HydrophobicContact CG-CG2 4.31Å; F217-S230 WeakPolarHBondContact CD2-OG 3.41Å; F217-H234 AromaticContact CE2-ND1 3.98Å; F217-E293 PolarHBondContact N-OE2 3.44Å; F217-E298 HydrophobicContact CB-CB 3.54Å; F217-E298 HydrophobicContact CB-CG 4.01Å; F217-E298 HydrophobicContact CD1-CB 4.46Å; F217-E298 HydrophobicContact CD1-CG 3.98Å; F217-E298 HydrophobicContact CD2-CB 3.98Å; F217-E298 HydrophobicContact CD2-CG 3.97Å; F217-E298 HydrophobicContact CE1-CG 4.46Å; F217-E298 HydrophobicContact CE2-CG 4.45Å; F217-E298 HydrophobicContact CG-CB 3.77Å; F217-E298 HydrophobicContact CG-CG 3.73Å
218	H	98.9	Very high	98.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.019	12%	0.122	C	C	.	.			trans	-118.9	6.3	-176.7	-61.3	-53.2	0	0	0	113	N168 C224 T227 T228 I291 E293 D326	N168-H218 PolarHBondContact ND2-O 3.2Å; H218-C224 WeakPolarHBondContact O-CB 3.45Å; H218-C224 PolarHBondContact O-SG 3.15Å; H218-C224 VanDerWaalsContact O-SG 3.38Å; H218-T227 PolarHBondContact CD2-O 2.87Å; H218-T227 VanDerWaalsContact CD2-O 3.32Å; H218-T228 PolarHBondContact N-OG1 3.36Å; H218-I291 HydrophobicContact CB-CD1 3.94Å; H218-I291 VanDerWaalsContact CG-CD1 3.45Å; H218-E293 IonicContact CE1-OE2 2.86Å; H218-D326 IonicContact CE1-OD2 3.58Å; H218-D326 IonicContact CG-OD2 2.78Å; H218-D326 IonicContact ND1-OD2 3.7Å; H218-D326 PolarHBondContact ND1-OD2 2.96Å
219	G	98.5	Very high	98.8	Very high	4 Å²	4	24.9 Å²	24.9	4%	0.041	12%	0.123	C	C	.	.			trans	120.2	-176.5	179.5	0	0	0	0	0	114	S165 T228	S165-G219 WeakPolarHBondContact OG-CA 3.45Å; G219-T228 PolarHBondContact N-OG1 3.37Å; G219-T228 PolarHBondContact O-OG1 2.86Å; G219-T228 VanDerWaalsContact O-OG1 3.1Å
220	R	98.7	Very high	98.8	Very high	140 Å²	140	26 Å²	26	53%	0.528	13%	0.131	S	C	.	.	S	Bend	trans	-121.7	-3.8	-167.7	-59.5	-177	-174.9	-126.2	-2.7	115	F217 H234	F217-R220 HydrophobicContact CE2-CG 4.29Å; F217-R220 HydrophobicContact CZ-CG 4.05Å; R220-H234 PolarHBondContact NH1-CD2 2.88Å; R220-H234 VanDerWaalsContact NH1-CD2 3.34Å; R220-H234 PolarHBondContact NH2-CD2 3.23Å; R220-H234 PolarHBondContact NH2-CE1 2.92Å; R220-H234 PolarHBondContact NH2-NE2 3.32Å
221	T	98.8	Very high	98.7	Very high	62 Å²	62	30.3 Å²	30.3	38%	0.38	15%	0.15	S	C	.	.	S	Bend	trans	-68.1	155.6	165.6	53.2	0	0	0	0	109.7	E169 G223 C224 L225	E169-T221 VanDerWaalsContact CG-OG1 3.29Å; E169-T221 WeakPolarHBondContact CG-OG1 3.46Å; E169-T221 VanDerWaalsContact OE1-CB 3.24Å; E169-T221 WeakPolarHBondContact OE1-CB 3.3Å; E169-T221 PolarHBondContact OE1-OG1 3.38Å; T221-G223 VanDerWaalsContact C-N 3.33Å; T221-G223 PolarHBondContact O-N 3.02Å; T221-G223 VanDerWaalsContact O-N 3.17Å; T221-C224 CarbonylContact O-C 3.44Å; T221-C224 WeakPolarHBondContact O-CB 3.27Å; T221-C224 PolarHBondContact O-N 3.33Å; T221-C224 VanDerWaalsContact O-N 3.08Å; T221-C224 PolarHBondContact OG1-SG 2.61Å; T221-L225 WeakPolarHBondContact O-CB 3.32Å; T221-L225 PolarHBondContact O-N 2.96Å
222	M	98.8	Very high	98.7	Very high	105 Å²	105	34.1 Å²	34.1	52%	0.517	18%	0.181	S	C	.	.	H	α-helix	trans	-57.4	-37.6	-165.3	-66.7	-179	71.5	0	0	115	A226 P239	M222-A226 PolarHBondContact O-N 3.3Å; M222-P239 HydrophobicContact CE-CB 4.14Å
223	G	98.6	Very high	98.7	Very high	8 Å²	8	40.5 Å²	40.5	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-43.4	176.4	0	0	0	0	0	112.2	E169 T221 L225 A226	E169-G223 VanDerWaalsContact OE1-CA 3.24Å; E169-G223 WeakPolarHBondContact OE1-CA 3.33Å; E169-G223 PolarHBondContact OE1-N 2.8Å; T221-G223 VanDerWaalsContact C-N 3.33Å; T221-G223 PolarHBondContact O-N 3.02Å; T221-G223 VanDerWaalsContact O-N 3.17Å; G223-L225 VanDerWaalsContact C-N 3.32Å; G223-L225 PolarHBondContact O-N 3.08Å; G223-A226 PolarHBondContact O-N 2.89Å
224	C	98.9	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-37.2	172.6	-66.7	0	0	0	0	112.6	S165 E169 H218 T221 A226 T227 T228	S165-C224 PolarHBondContact O-SG 3.41Å; E169-C224 PolarHBondContact OE1-N 2.8Å; H218-C224 WeakPolarHBondContact O-CB 3.45Å; H218-C224 PolarHBondContact O-SG 3.15Å; H218-C224 VanDerWaalsContact O-SG 3.38Å; T221-C224 CarbonylContact O-C 3.44Å; T221-C224 WeakPolarHBondContact O-CB 3.27Å; T221-C224 PolarHBondContact O-N 3.33Å; T221-C224 VanDerWaalsContact O-N 3.08Å; T221-C224 PolarHBondContact OG1-SG 2.61Å; C224-A226 VanDerWaalsContact C-N 3.31Å; C224-A226 PolarHBondContact O-N 3.38Å; C224-T227 CarbonylContact O-C 3.57Å; C224-T227 PolarHBondContact O-N 3.04Å; C224-T227 VanDerWaalsContact O-N 3.14Å; C224-T227 PolarHBondContact O-OG1 2.79Å; C224-T228 PolarHBondContact O-N 3.38Å; C224-T228 PolarHBondContact O-OG1 3.28Å
225	L	98.9	Very high	98.6	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-72.2	-27.9	-177.2	-171.5	64.4	0	0	0	112.2	T221 G223 T227 T228 H234 K235 I238	T221-L225 WeakPolarHBondContact O-CB 3.32Å; T221-L225 PolarHBondContact O-N 2.96Å; G223-L225 VanDerWaalsContact C-N 3.32Å; G223-L225 PolarHBondContact O-N 3.08Å; L225-T227 PolarHBondContact O-N 3.35Å; L225-T228 HydrophobicContact CD1-CG2 4.37Å; L225-T228 PolarHBondContact O-N 2.87Å; L225-H234 VanDerWaalsContact CD1-O 3.25Å; L225-H234 WeakPolarHBondContact CD1-O 3.21Å; L225-K235 HydrophobicContact CD1-CD 4.1Å; L225-K235 HydrophobicContact CG-CD 4.4Å; L225-K235 PolarHBondContact O-NZ 2.68Å; L225-I238 HydrophobicContact CD2-CB 3.74Å; L225-I238 HydrophobicContact CD2-CG1 3.91Å; L225-I238 HydrophobicContact CD2-CG2 3.61Å
226	A	98.9	Very high	98.6	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-24.9	171.9	0	0	0	0	0	113.1	M222 G223 C224 H229 F241 W243	M222-A226 PolarHBondContact O-N 3.3Å; G223-A226 PolarHBondContact O-N 2.89Å; C224-A226 VanDerWaalsContact C-N 3.31Å; C224-A226 PolarHBondContact O-N 3.38Å; A226-H229 PolarHBondContact O-CE1 3.17Å; A226-H229 VanDerWaalsContact O-CE1 3.29Å; A226-H229 PolarHBondContact O-NE2 2.9Å; A226-F241 HydrophobicContact CB-CB 4.23Å; A226-F241 HydrophobicContact CB-CD2 3.69Å; A226-F241 HydrophobicContact CB-CG 4.45Å; A226-W243 HydrophobicContact CB-CE3 4.06Å; A226-W243 HydrophobicContact CB-CZ3 4.2Å
227	T	98.9	Very high	98.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-97.3	-8.1	175.1	56.4	0	0	0	0	113.4	I210 S212 H218 C224 L225 H229 W243 I291	I210-T227 HydrophobicContact CB-CG2 4.17Å; I210-T227 HydrophobicContact CG2-CG2 3.85Å; S212-T227 WeakPolarHBondContact CB-O 3.28Å; H218-T227 PolarHBondContact CD2-O 2.87Å; H218-T227 VanDerWaalsContact CD2-O 3.32Å; C224-T227 CarbonylContact O-C 3.57Å; C224-T227 PolarHBondContact O-N 3.04Å; C224-T227 VanDerWaalsContact O-N 3.14Å; C224-T227 PolarHBondContact O-OG1 2.79Å; L225-T227 PolarHBondContact O-N 3.35Å; T227-H229 PolarHBondContact O-CD2 2.93Å; T227-H229 VanDerWaalsContact O-CD2 3.3Å; T227-H229 PolarHBondContact O-NE2 2.92Å; T227-W243 HydrophobicContact CG2-CE3 3.76Å; T227-W243 HydrophobicContact CG2-CZ3 3.73Å; T227-I291 HydrophobicContact CG2-CG2 3.94Å
228	T	98.9	Very high	98.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.			trans	-86.6	136.2	173.8	-66.7	0	0	0	0	110.8	A216 F217 H218 G219 C224 L225 S230 K235	A216-T228 CarbonylContact O-C 3.51Å; A216-T228 WeakPolarHBondContact O-CA 3.41Å; F217-T228 HydrophobicContact CB-CG2 4.4Å; F217-T228 HydrophobicContact CD2-CG2 3.74Å; F217-T228 HydrophobicContact CE2-CG2 4.41Å; F217-T228 HydrophobicContact CG-CG2 4.31Å; H218-T228 PolarHBondContact N-OG1 3.36Å; G219-T228 PolarHBondContact N-OG1 3.37Å; G219-T228 PolarHBondContact O-OG1 2.86Å; G219-T228 VanDerWaalsContact O-OG1 3.1Å; C224-T228 PolarHBondContact O-N 3.38Å; C224-T228 PolarHBondContact O-OG1 3.28Å; L225-T228 HydrophobicContact CD1-CG2 4.37Å; L225-T228 PolarHBondContact O-N 2.87Å; T228-S230 WeakPolarHBondContact CG2-OG 3.43Å; T228-K235 WeakPolarHBondContact O-CD 3.44Å; T228-K235 WeakPolarHBondContact O-CE 3.48Å; T228-K235 PolarHBondContact O-NZ 3.1Å
229	H	98.8	Very high	98.6	Very high	20 Å²	20	56.8 Å²	56.8	9%	0.093	30%	0.303	C	S	.	.			trans	-144.1	38.4	178.9	-51.7	-71.4	0	0	0	112.1	S212 F213 M214 G215 A216 A226 T227 K235 I245	S212-H229 PolarHBondContact OG-NE2 3.11Å; F213-H229 PolarHBondContact O-CD2 3.43Å; F213-H229 VanDerWaalsContact O-CD2 3.28Å; M214-H229 HydrophobicContact SD-CB 3.9Å; G215-H229 WeakPolarHBondContact CA-O 3.32Å; G215-H229 PolarHBondContact N-O 3.28Å; G215-H229 VanDerWaalsContact N-O 3.09Å; A216-H229 CarbonylContact O-C 3.55Å; A216-H229 PolarHBondContact O-N 3.08Å; A226-H229 PolarHBondContact O-CE1 3.17Å; A226-H229 VanDerWaalsContact O-CE1 3.29Å; A226-H229 PolarHBondContact O-NE2 2.9Å; T227-H229 PolarHBondContact O-CD2 2.93Å; T227-H229 VanDerWaalsContact O-CD2 3.3Å; T227-H229 PolarHBondContact O-NE2 2.92Å; H229-K235 PolarHBondContact CE1-NZ 3.29Å; H229-K235 PolarHBondContact ND1-NZ 3.13Å; H229-I245 WeakPolarHBondContact CE1-CD1 3.46Å; H229-I245 VanDerWaalsContact CE1-CG1 3.47Å; H229-I245 WeakPolarHBondContact CE1-CG1 3.38Å
230	S	97.7	Very high	98.6	Very high	24 Å²	24	59.9 Å²	59.9	17%	0.168	32%	0.324	C	S	.	.	S	Bend	trans	-80.6	-62.2	-174.5	48.5	0	0	0	0	113.9	A216 F217 T228 H234	A216-S230 PolarHBondContact O-N 3.5Å; F217-S230 WeakPolarHBondContact CD2-OG 3.41Å; T228-S230 WeakPolarHBondContact CG2-OG 3.43Å; S230-H234 PolarHBondContact OG-ND1 3.38Å
231	K	98.3	Very high	98.6	Very high	91 Å²	91	58.4 Å²	58.4	40%	0.396	32%	0.322	S	S	.	.			trans	-137.6	141.4	-174.2	-55.7	179.3	178.3	75	0	110.1	I233 H234 E298	K231-I233 VanDerWaalsContact C-N 3.28Å; K231-I233 HydrophobicContact CB-CG2 4.28Å; K231-I233 PolarHBondContact O-N 3.01Å; K231-H234 WeakPolarHBondContact O-CB 3.3Å; K231-H234 PolarHBondContact O-N 2.76Å; K231-E298 PolarHBondContact NZ-O 3.49Å; K231-E298 IonicContact NZ-OE2 2.8Å; K231-E298 PolarHBondContact NZ-OE2 2.61Å
232	A	98.4	Very high	98.6	Very high	80 Å²	80	58.9 Å²	58.9	66%	0.661	32%	0.322	S	S	*	.	H	α-helix	trans	-58.4	-38.7	-177.5	0	0	0	0	0	112.9	H234 K235 I236	A232-H234 PolarHBondContact O-N 2.77Å; A232-H234 VanDerWaalsContact O-N 3.15Å; A232-K235 PolarHBondContact O-N 2.9Å; A232-I236 PolarHBondContact O-N 3.38Å
233	I	98.1	Very high	98.6	Very high	134 Å²	134	54.9 Å²	54.9	69%	0.687	30%	0.301	S	S	*	.	H	α-helix	trans	-63.2	-19.2	178.6	-164.4	58.7	0	0	0	113.4	K231 K235 I236	K231-I233 VanDerWaalsContact C-N 3.28Å; K231-I233 HydrophobicContact CB-CG2 4.28Å; K231-I233 PolarHBondContact O-N 3.01Å; I233-K235 VanDerWaalsContact C-N 3.34Å; I233-I236 HydrophobicContact CD1-CG2 4.49Å
234	H	98.4	Very high	98.6	Very high	26 Å²	26	54.5 Å²	54.5	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-78.1	-22.2	173.7	-58.8	165.2	0	0	0	112.4	F217 R220 L225 S230 K231 A232	F217-H234 AromaticContact CE2-ND1 3.98Å; R220-H234 PolarHBondContact NH1-CD2 2.88Å; R220-H234 VanDerWaalsContact NH1-CD2 3.34Å; R220-H234 PolarHBondContact NH2-CD2 3.23Å; R220-H234 PolarHBondContact NH2-CE1 2.92Å; R220-H234 PolarHBondContact NH2-NE2 3.32Å; L225-H234 VanDerWaalsContact CD1-O 3.25Å; L225-H234 WeakPolarHBondContact CD1-O 3.21Å; S230-H234 PolarHBondContact OG-ND1 3.38Å; K231-H234 WeakPolarHBondContact O-CB 3.3Å; K231-H234 PolarHBondContact O-N 2.76Å; A232-H234 PolarHBondContact O-N 2.77Å; A232-H234 VanDerWaalsContact O-N 3.15Å
235	K	98.7	Very high	98.6	Very high	57 Å²	57	58 Å²	58	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-112.4	-34.3	-163.9	-61.7	-88.5	-64.6	-162.5	0	113.9	L225 T228 H229 A232 I233 I238	L225-K235 HydrophobicContact CD1-CD 4.1Å; L225-K235 HydrophobicContact CG-CD 4.4Å; L225-K235 PolarHBondContact O-NZ 2.68Å; T228-K235 WeakPolarHBondContact O-CD 3.44Å; T228-K235 WeakPolarHBondContact O-CE 3.48Å; T228-K235 PolarHBondContact O-NZ 3.1Å; H229-K235 PolarHBondContact CE1-NZ 3.29Å; H229-K235 PolarHBondContact ND1-NZ 3.13Å; A232-K235 PolarHBondContact O-N 2.9Å; I233-K235 VanDerWaalsContact C-N 3.34Å; K235-I238 PolarHBondContact O-N 2.86Å
236	I	98.4	Very high	98.6	Very high	102 Å²	102	57.5 Å²	57.5	52%	0.523	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	143.4	-171.7	-164.4	166	0	0	0	110.7	A232 I233 I238	A232-I236 PolarHBondContact O-N 3.38Å; I233-I236 HydrophobicContact CD1-CG2 4.49Å; I236-I238 PolarHBondContact O-N 3.14Å; I236-I238 VanDerWaalsContact O-N 3.15Å
237	D	98.6	Very high	98.6	Very high	148 Å²	148	58.4 Å²	58.4	79%	0.791	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	3.9	179.6	-50.9	-38.1	0	0	0	117
238	I	98.8	Very high	98.6	Very high	82 Å²	82	59.2 Å²	59.2	42%	0.421	32%	0.322	S	S	.	.	S	Bend	trans	-104.3	126.6	176.9	-46.3	-57.8	0	0	0	111	L225 K235 I236	L225-I238 HydrophobicContact CD2-CB 3.74Å; L225-I238 HydrophobicContact CD2-CG1 3.91Å; L225-I238 HydrophobicContact CD2-CG2 3.61Å; K235-I238 PolarHBondContact O-N 2.86Å; I236-I238 PolarHBondContact O-N 3.14Å; I236-I238 VanDerWaalsContact O-N 3.15Å
239	P	98.7	Very high	98.6	Very high	95 Å²	95	59.3 Å²	59.3	62%	0.617	32%	0.322	S	S	*	.			trans	-55.4	146.5	172	-25	34.3	0	0	0	112.2	M222	M222-P239 HydrophobicContact CE-CB 4.14Å
240	S	98.7	Very high	98.6	Very high	69 Å²	69	68.1 Å²	68.1	48%	0.483	36%	0.355	S	S	.	.			trans	-139.4	176.9	-176.5	-154	0	0	0	0	112.4
241	F	98.8	Very high	98.7	Very high	109 Å²	109	68.2 Å²	68.2	48%	0.478	35%	0.353	S	S	.	.			trans	-103	141	178.4	-62.9	-84.3	0	0	0	110.6	A226 W243	A226-F241 HydrophobicContact CB-CB 4.23Å; A226-F241 HydrophobicContact CB-CD2 3.69Å; A226-F241 HydrophobicContact CB-CG 4.45Å; F241-W243 HydrophobicContact CB-CD2 3.83Å; F241-W243 HydrophobicContact CB-CG 3.87Å; F241-W243 HydrophobicContact CB-CZ2 4.29Å; F241-W243 HydrophobicContact CD1-CZ2 4.47Å; F241-W243 HydrophobicContact CD2-CH2 4.4Å; F241-W243 HydrophobicContact CD2-CZ2 4.25Å; F241-W243 HydrophobicContact CG-CD2 4.48Å; F241-W243 AromaticContact CG-CE2 3.97Å; F241-W243 HydrophobicContact CG-CZ2 4.09Å; F241-W243 PolarHBondContact O-N 3.44Å
242	D	98.8	Very high	98.7	Very high	71 Å²	71	69.2 Å²	69.2	38%	0.38	36%	0.358	S	S	.	.			trans	-72.5	81.2	167.1	175.7	22.8	0	0	0	108.9	Y280 K283 K285	D242-Y280 WeakPolarHBondContact O-CE1 3.1Å; D242-Y280 PolarHBondContact OD1-OH 3.41Å; D242-K283 IonicContact OD1-NZ 3.56Å; D242-K283 IonicContact OD2-NZ 3.62Å; D242-K283 PolarHBondContact OD2-NZ 3.3Å; D242-K285 HydrophobicContact CB-CD 4.5Å
243	W	98.9	Very high	98.7	Very high	21 Å²	21	71.6 Å²	71.6	8%	0.08	35%	0.35	C	S	.	.			trans	-114.4	151.6	175.9	-72	-3.7	0	0	0	110.6	L172 F176 Y208 I210 A226 T227 F241	L172-W243 HydrophobicContact CD1-CH2 4.17Å; L172-W243 HydrophobicContact CD1-CZ3 4.07Å; F176-W243 HydrophobicContact CE2-CH2 4.38Å; F176-W243 HydrophobicContact CE2-CZ2 4.44Å; F176-W243 AromaticContact CZ-CH2 3.91Å; F176-W243 HydrophobicContact CZ-CH2 3.91Å; F176-W243 AromaticContact CZ-CZ2 3.79Å; F176-W243 HydrophobicContact CZ-CZ2 3.79Å; Y208-W243 PolarHBondContact O-NE1 2.78Å; I210-W243 HydrophobicContact CB-CD2 4.39Å; I210-W243 HydrophobicContact CB-CE3 3.79Å; I210-W243 HydrophobicContact CB-CH2 4.43Å; I210-W243 HydrophobicContact CB-CZ3 3.83Å; I210-W243 HydrophobicContact CG1-CE3 4.37Å; I210-W243 HydrophobicContact CG1-CH2 4.13Å; I210-W243 HydrophobicContact CG1-CZ3 3.99Å; I210-W243 WeakPolarHBondContact O-CB 3.49Å; A226-W243 HydrophobicContact CB-CE3 4.06Å; A226-W243 HydrophobicContact CB-CZ3 4.2Å; T227-W243 HydrophobicContact CG2-CE3 3.76Å; T227-W243 HydrophobicContact CG2-CZ3 3.73Å; F241-W243 HydrophobicContact CB-CD2 3.83Å; F241-W243 HydrophobicContact CB-CG 3.87Å; F241-W243 HydrophobicContact CB-CZ2 4.29Å; F241-W243 HydrophobicContact CD1-CZ2 4.47Å; F241-W243 HydrophobicContact CD2-CH2 4.4Å; F241-W243 HydrophobicContact CD2-CZ2 4.25Å; F241-W243 HydrophobicContact CG-CD2 4.48Å; F241-W243 AromaticContact CG-CE2 3.97Å; F241-W243 HydrophobicContact CG-CZ2 4.09Å; F241-W243 PolarHBondContact O-N 3.44Å
244	P	98.9	Very high	98.7	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.			trans	-68.5	137.8	-178.5	17.7	-18.3	0	0	0	112.1	L211 S212 L276 Y280 V287	L211-P244 WeakPolarHBondContact CA-O 3.39Å; L211-P244 HydrophobicContact CB-CB 4.44Å; L211-P244 HydrophobicContact CB-CG 3.88Å; L211-P244 HydrophobicContact CD1-CB 4.09Å; L211-P244 HydrophobicContact CD1-CG 4.18Å; L211-P244 HydrophobicContact CG-CB 4.16Å; L211-P244 HydrophobicContact CG-CG 4.15Å; S212-P244 PolarHBondContact N-O 3.04Å; S212-P244 VanDerWaalsContact N-O 3.13Å; P244-L276 HydrophobicContact CB-CB 3.96Å; P244-L276 HydrophobicContact CB-CD1 4.31Å; P244-L276 HydrophobicContact CB-CD2 4.09Å; P244-L276 HydrophobicContact CB-CG 4.36Å; P244-Y280 HydrophobicContact CB-CD2 3.6Å; P244-Y280 HydrophobicContact CB-CE1 4.47Å; P244-Y280 HydrophobicContact CB-CE2 3.53Å; P244-Y280 HydrophobicContact CB-CG 4.1Å; P244-Y280 HydrophobicContact CG-CD1 4.06Å; P244-Y280 HydrophobicContact CG-CD2 3.86Å; P244-Y280 HydrophobicContact CG-CE1 4.34Å; P244-Y280 HydrophobicContact CG-CE2 4.13Å; P244-Y280 HydrophobicContact CG-CG 3.82Å; P244-V287 HydrophobicContact CG-CG2 3.73Å
245	I	98.9	Very high	98.7	Very high	73 Å²	73	70.4 Å²	70.4	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.6	177.3	-48.9	167.5	0	0	0	107.1	S212 M214 H229 L276	S212-I245 CarbonylContact O-C 3.39Å; S212-I245 WeakPolarHBondContact O-CA 3.35Å; M214-I245 HydrophobicContact CB-CG2 4.46Å; M214-I245 HydrophobicContact CE-CG2 4.21Å; H229-I245 WeakPolarHBondContact CE1-CD1 3.46Å; H229-I245 VanDerWaalsContact CE1-CG1 3.47Å; H229-I245 WeakPolarHBondContact CE1-CG1 3.38Å; I245-L276 WeakPolarHBondContact O-CD1 3Å
246	A	98.9	Very high	98.7	Very high	1 Å²	1	75 Å²	75	1%	0.008	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	155	176.6	0	0	0	0	0	111	L211 S212 F213 M214 V273 L276	L211-A246 HydrophobicContact CD2-CB 4.01Å; S212-A246 PolarHBondContact O-N 3.41Å; F213-A246 CarbonylContact C-O 3.37Å; F213-A246 VanDerWaalsContact CA-O 3.3Å; F213-A246 WeakPolarHBondContact CA-O 3.47Å; F213-A246 HydrophobicContact CD1-CB 3.95Å; F213-A246 HydrophobicContact CE1-CB 3.92Å; M214-A246 PolarHBondContact N-O 3.36Å; A246-V273 HydrophobicContact CB-CG2 3.54Å; A246-L276 HydrophobicContact CB-CD1 3.83Å
247	P	98.9	Very high	98.7	Very high	24 Å²	24	76.8 Å²	76.8	16%	0.156	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-68.7	140.4	167.6	31.8	-37	0	0	0	110.8	F213 C269 E272	F213-P247 WeakPolarHBondContact CD1-O 3.46Å; P247-C269 HydrophobicContact CG-CB 4.18Å; P247-E272 VanDerWaalsContact CD-OE2 3.32Å; P247-E272 WeakPolarHBondContact CD-OE2 3.25Å; P247-E272 HydrophobicContact CG-CB 4.22Å; P247-E272 VanDerWaalsContact CG-OE2 3.27Å; P247-E272 WeakPolarHBondContact CG-OE2 3.2Å
248	F	98.9	Very high	98.7	Very high	17 Å²	17	72.5 Å²	72.5	8%	0.075	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-89.9	141.5	163.4	-166	-94.7	0	0	0	109.1	F213 M214 R250 V292 Q296 N302 A304 F308 F309	F213-F248 HydrophobicContact CB-CB 4.17Å; F213-F248 HydrophobicContact CB-CD2 4.24Å; F213-F248 HydrophobicContact CD1-CB 4.38Å; F213-F248 HydrophobicContact CD1-CD2 4.15Å; F213-F248 HydrophobicContact CG-CD2 4.23Å; M214-F248 WeakPolarHBondContact O-CB 3.42Å; F248-R250 PolarHBondContact O-N 3.5Å; F248-V292 HydrophobicContact CE2-CG2 4.26Å; F248-Q296 HydrophobicContact CD1-CG 4.29Å; F248-Q296 HydrophobicContact CD2-CG 4.1Å; F248-Q296 HydrophobicContact CE1-CG 4.31Å; F248-Q296 HydrophobicContact CE2-CG 4.1Å; F248-Q296 HydrophobicContact CG-CG 4.19Å; F248-Q296 HydrophobicContact CZ-CG 4.21Å; F248-N302 HydrophobicContact CD1-CB 3.74Å; F248-N302 HydrophobicContact CE1-CB 3.74Å; F248-N302 WeakPolarHBondContact CE1-O 3.39Å; F248-A304 HydrophobicContact CE1-CB 4.1Å; F248-A304 HydrophobicContact CZ-CB 3.79Å; F248-F308 HydrophobicContact CE2-CE1 4.17Å; F248-F309 HydrophobicContact CE2-CE1 4.38Å; F248-F309 HydrophobicContact CE2-CZ 4.18Å; F248-F309 HydrophobicContact CZ-CZ 4.07Å
249	P	98.7	Very high	98.7	Very high	2 Å²	2	72 Å²	72	1%	0.013	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-57.5	133.4	-179.3	-23.6	33.5	0	0	0	112.5	L251 E265 E266 C269 A304 F308	P249-L251 HydrophobicContact CB-CD2 4.37Å; P249-E265 HydrophobicContact CB-CG 4.28Å; P249-E266 HydrophobicContact CB-CG 3.77Å; P249-E266 HydrophobicContact CG-CB 4.45Å; P249-E266 HydrophobicContact CG-CG 3.85Å; P249-C269 HydrophobicContact CG-CB 4.1Å; P249-A304 HydrophobicContact CB-CB 4.44Å; P249-A304 HydrophobicContact CG-CB 4.12Å; P249-F308 HydrophobicContact CG-CD1 4.44Å; P249-F308 HydrophobicContact CG-CD2 3.7Å; P249-F308 HydrophobicContact CG-CE1 4.27Å; P249-F308 HydrophobicContact CG-CE2 3.49Å; P249-F308 VanDerWaalsContact CG-CE2 3.49Å; P249-F308 HydrophobicContact CG-CG 4.18Å; P249-F308 HydrophobicContact CG-CZ 3.8Å
250	R	98.8	Very high	98.7	Very high	205 Å²	205	74.6 Å²	74.6	77%	0.774	36%	0.355	S	S	*	.			trans	-105.3	91.9	171.3	-172.9	176.8	179.7	169.6	1.7	110.3	F248	F248-R250 PolarHBondContact O-N 3.5Å
251	L	98.7	Very high	98.7	Very high	26 Å²	26	75 Å²	75	14%	0.136	35%	0.349	C	S	.	.			trans	-64	143.8	179.9	-54	-173.8	0	0	0	111.8	P249 Y253 L255 N262 E266 H303	P249-L251 HydrophobicContact CB-CD2 4.37Å; L251-Y253 HydrophobicContact CB-CE2 4.03Å; L251-L255 HydrophobicContact CB-CD2 4.33Å; L251-L255 HydrophobicContact CD1-CD2 4.13Å; L251-N262 WeakPolarHBondContact CA-OD1 3.37Å; L251-N262 HydrophobicContact CD2-CB 3.92Å; L251-E266 HydrophobicContact CD2-CG 4.22Å; L251-H303 WeakPolarHBondContact CD1-O 3.27Å; L251-H303 WeakPolarHBondContact CG-O 3.31Å
252	K	98.8	Very high	98.7	Very high	112 Å²	112	70.5 Å²	70.5	49%	0.487	33%	0.329	S	S	.	.			trans	-94	146.2	168.8	-66.2	-179.6	-178.4	174.9	0	110	F258 E261 N262	K252-F258 HydrophobicContact CB-CB 3.7Å; K252-F258 HydrophobicContact CB-CD1 3.88Å; K252-F258 HydrophobicContact CB-CD2 3.66Å; K252-F258 HydrophobicContact CB-CE1 4.44Å; K252-F258 HydrophobicContact CB-CE2 4.26Å; K252-F258 HydrophobicContact CB-CG 3.45Å; K252-F258 VanDerWaalsContact CB-CG 3.45Å; K252-F258 HydrophobicContact CD-CD1 3.72Å; K252-F258 HydrophobicContact CD-CE1 3.99Å; K252-F258 HydrophobicContact CD-CG 4.19Å; K252-F258 HydrophobicContact CG-CD1 4.48Å; K252-F258 HydrophobicContact CG-CG 4.49Å; K252-E261 HydrophobicContact CD-CB 4.43Å; K252-N262 PolarHBondContact N-OD1 2.92Å; K252-N262 PolarHBondContact O-ND2 3.28Å
253	Y	98.4	Very high	98.7	Very high	130 Å²	130	72.8 Å²	72.8	51%	0.51	34%	0.338	S	S	.	.	S	Bend	trans	-125.3	147.3	-176.2	-67.2	-94.2	0	0	0	110.4	L251 L255 F258	L251-Y253 HydrophobicContact CB-CE2 4.03Å; Y253-L255 HydrophobicContact CD1-CD2 3.83Å; Y253-L255 HydrophobicContact CD1-CG 3.81Å; Y253-L255 HydrophobicContact CE1-CD1 4.16Å; Y253-L255 HydrophobicContact CE1-CD2 3.58Å; Y253-L255 HydrophobicContact CE1-CG 3.74Å; Y253-L255 HydrophobicContact CG-CD2 4.48Å; Y253-F258 WeakPolarHBondContact O-CE2 3.11Å
254	P	98.4	Very high	98.7	Very high	62 Å²	62	78 Å²	78	40%	0.403	36%	0.363	S	S	.	.	S	Bend	cis	-67.4	144.7	0.1	-19.5	33.6	0	0	0	113.7	E256 E257 F258	P254-E256 VanDerWaalsContact C-N 3.26Å; P254-E256 PolarHBondContact O-N 3.42Å; P254-E257 PolarHBondContact O-N 3.09Å; P254-E257 VanDerWaalsContact O-N 3.15Å; P254-F258 WeakPolarHBondContact O-CD2 3.45Å
255	L	98.5	Very high	98.7	Very high	72 Å²	72	80.1 Å²	80.1	38%	0.377	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.2	-168.9	-67.8	177	0	0	0	112.9	L251 Y253 E257 F258 V259	L251-L255 HydrophobicContact CB-CD2 4.33Å; L251-L255 HydrophobicContact CD1-CD2 4.13Å; Y253-L255 HydrophobicContact CD1-CD2 3.83Å; Y253-L255 HydrophobicContact CD1-CG 3.81Å; Y253-L255 HydrophobicContact CE1-CD1 4.16Å; Y253-L255 HydrophobicContact CE1-CD2 3.58Å; Y253-L255 HydrophobicContact CE1-CG 3.74Å; Y253-L255 HydrophobicContact CG-CD2 4.48Å; L255-E257 PolarHBondContact O-N 2.8Å; L255-F258 PolarHBondContact O-N 3.04Å; L255-V259 WeakPolarHBondContact O-CG2 3.35Å; L255-V259 PolarHBondContact O-N 3.38Å
256	E	98.1	Very high	98.7	Very high	154 Å²	154	77.3 Å²	77.3	72%	0.72	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.9	-177.7	-58.4	72.4	-156.5	0	0	112.3	P254	P254-E256 VanDerWaalsContact C-N 3.26Å; P254-E256 PolarHBondContact O-N 3.42Å
257	E	98.6	Very high	98.7	Very high	139 Å²	139	79.1 Å²	79.1	65%	0.65	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-29.2	179.3	-65.5	-177.2	-155.7	0	0	112.4	P254 L255	P254-E257 PolarHBondContact O-N 3.09Å; P254-E257 VanDerWaalsContact O-N 3.15Å; L255-E257 PolarHBondContact O-N 2.8Å
258	F	98.6	Very high	98.7	Very high	58 Å²	58	82.1 Å²	82.1	25%	0.254	38%	0.382	S	S	.	.			trans	-111.3	27	-172	-65.6	-75.2	0	0	0	113.9	K252 Y253 P254 L255 K260 E261 N262	K252-F258 HydrophobicContact CB-CB 3.7Å; K252-F258 HydrophobicContact CB-CD1 3.88Å; K252-F258 HydrophobicContact CB-CD2 3.66Å; K252-F258 HydrophobicContact CB-CE1 4.44Å; K252-F258 HydrophobicContact CB-CE2 4.26Å; K252-F258 HydrophobicContact CB-CG 3.45Å; K252-F258 VanDerWaalsContact CB-CG 3.45Å; K252-F258 HydrophobicContact CD-CD1 3.72Å; K252-F258 HydrophobicContact CD-CE1 3.99Å; K252-F258 HydrophobicContact CD-CG 4.19Å; K252-F258 HydrophobicContact CG-CD1 4.48Å; K252-F258 HydrophobicContact CG-CG 4.49Å; Y253-F258 WeakPolarHBondContact O-CE2 3.11Å; P254-F258 WeakPolarHBondContact O-CD2 3.45Å; L255-F258 PolarHBondContact O-N 3.04Å; F258-K260 VanDerWaalsContact C-N 3.29Å; F258-K260 PolarHBondContact O-N 3.28Å; F258-E261 WeakPolarHBondContact CA-OE2 3.03Å; F258-E261 HydrophobicContact CB-CB 4.41Å; F258-E261 HydrophobicContact CD1-CB 4.48Å; F258-E261 HydrophobicContact CD1-CG 4.26Å; F258-E261 PolarHBondContact O-N 3.4Å; F258-N262 VanDerWaalsContact O-CB 3.26Å; F258-N262 WeakPolarHBondContact O-CB 3.5Å; F258-N262 PolarHBondContact O-N 3.29Å; F258-N262 PolarHBondContact O-ND2 3.2Å
259	V	98.6	Very high	98.7	Very high	73 Å²	73	81.3 Å²	81.3	44%	0.442	38%	0.378	S	S	.	.	H	α-helix	trans	-52.7	-44.8	-175.7	177.3	0	0	0	0	112.3	L255 Q263	L255-V259 WeakPolarHBondContact O-CG2 3.35Å; L255-V259 PolarHBondContact O-N 3.38Å; V259-Q263 WeakPolarHBondContact O-CB 3.34Å; V259-Q263 VanDerWaalsContact O-CG 3.23Å; V259-Q263 WeakPolarHBondContact O-CG 3.41Å; V259-Q263 PolarHBondContact O-N 3.48Å; V259-Q263 VanDerWaalsContact O-N 3.13Å
260	K	98.5	Very high	98.7	Very high	149 Å²	149	81.9 Å²	81.9	65%	0.648	38%	0.381	S	S	*	.	H	α-helix	trans	-73.2	-44.1	-177.2	-72.4	-176.6	179.2	177.1	0	111.9	F258 N262 Q263 Q264	F258-K260 VanDerWaalsContact C-N 3.29Å; F258-K260 PolarHBondContact O-N 3.28Å; K260-N262 VanDerWaalsContact C-N 3.3Å; K260-N262 PolarHBondContact O-N 3.24Å; K260-Q263 PolarHBondContact O-N 3.46Å; K260-Q264 WeakPolarHBondContact O-CB 3.4Å; K260-Q264 VanDerWaalsContact O-CG 3.26Å; K260-Q264 WeakPolarHBondContact O-CG 3.33Å; K260-Q264 PolarHBondContact O-N 3.42Å
261	E	98.8	Very high	98.7	Very high	78 Å²	78	78.3 Å²	78.3	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-41.7	179.5	-67.3	77.3	-178.8	0	0	110.7	K252 F258 Q264 E265	K252-E261 HydrophobicContact CD-CB 4.43Å; F258-E261 WeakPolarHBondContact CA-OE2 3.03Å; F258-E261 HydrophobicContact CB-CB 4.41Å; F258-E261 HydrophobicContact CD1-CB 4.48Å; F258-E261 HydrophobicContact CD1-CG 4.26Å; F258-E261 PolarHBondContact O-N 3.4Å; E261-Q264 PolarHBondContact O-N 2.78Å; E261-E265 WeakPolarHBondContact O-CB 3.34Å; E261-E265 PolarHBondContact O-N 3.42Å
262	N	98.8	Very high	98.7	Very high	13 Å²	13	80.5 Å²	80.5	7%	0.07	38%	0.382	C	S	.	.	H	α-helix	trans	-67.1	-43.1	177.7	-72.7	-14.6	0	0	0	111.5	L251 K252 F258 K260 Q264 E265 E266	L251-N262 WeakPolarHBondContact CA-OD1 3.37Å; L251-N262 HydrophobicContact CD2-CB 3.92Å; K252-N262 PolarHBondContact N-OD1 2.92Å; K252-N262 PolarHBondContact O-ND2 3.28Å; F258-N262 VanDerWaalsContact O-CB 3.26Å; F258-N262 WeakPolarHBondContact O-CB 3.5Å; F258-N262 PolarHBondContact O-N 3.29Å; F258-N262 PolarHBondContact O-ND2 3.2Å; K260-N262 VanDerWaalsContact C-N 3.3Å; K260-N262 PolarHBondContact O-N 3.24Å; N262-Q264 VanDerWaalsContact C-N 3.33Å; N262-Q264 PolarHBondContact O-N 3.44Å; N262-E265 PolarHBondContact O-N 3.45Å; N262-E266 WeakPolarHBondContact O-CG 3.34Å; N262-E266 PolarHBondContact O-N 2.87Å
263	Q	98.8	Very high	98.7	Very high	119 Å²	119	75.1 Å²	75.1	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-61.5	-40.1	173.7	-75.5	172.5	-2.8	0	0	112.5	V259 K260 A267	V259-Q263 WeakPolarHBondContact O-CB 3.34Å; V259-Q263 VanDerWaalsContact O-CG 3.23Å; V259-Q263 WeakPolarHBondContact O-CG 3.41Å; V259-Q263 PolarHBondContact O-N 3.48Å; V259-Q263 VanDerWaalsContact O-N 3.13Å; K260-Q263 PolarHBondContact O-N 3.46Å; Q263-A267 VanDerWaalsContact O-CB 3.29Å; Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 3Å
264	Q	98.8	Very high	98.7	Very high	132 Å²	132	71.3 Å²	71.3	62%	0.617	35%	0.346	S	S	*	.	H	α-helix	trans	-67.1	-41.6	177.1	-74.1	170	-5.3	0	0	112	K260 E261 N262 A267 R268	K260-Q264 WeakPolarHBondContact O-CB 3.4Å; K260-Q264 VanDerWaalsContact O-CG 3.26Å; K260-Q264 WeakPolarHBondContact O-CG 3.33Å; K260-Q264 PolarHBondContact O-N 3.42Å; E261-Q264 PolarHBondContact O-N 2.78Å; N262-Q264 VanDerWaalsContact C-N 3.33Å; N262-Q264 PolarHBondContact O-N 3.44Å; Q264-A267 PolarHBondContact O-N 3.24Å; Q264-R268 WeakPolarHBondContact O-CB 3.49Å; Q264-R268 PolarHBondContact O-N 3.32Å
265	E	98.9	Very high	98.7	Very high	44 Å²	44	73.7 Å²	73.7	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-65.5	-44.9	177.6	174.3	58.6	-176.2	0	0	111.7	P249 E261 N262 A267 R268 C269	P249-E265 HydrophobicContact CB-CG 4.28Å; E261-E265 WeakPolarHBondContact O-CB 3.34Å; E261-E265 PolarHBondContact O-N 3.42Å; N262-E265 PolarHBondContact O-N 3.45Å; E265-A267 PolarHBondContact O-N 3.42Å; E265-R268 VanDerWaalsContact CD-NH2 3.29Å; E265-R268 PolarHBondContact O-N 2.79Å; E265-R268 IonicContact OE1-CZ 2.61Å; E265-R268 IonicContact OE1-NH2 3.89Å; E265-R268 PolarHBondContact OE1-NH2 2.96Å; E265-R268 IonicContact OE2-CZ 2.8Å; E265-R268 IonicContact OE2-NE 3.78Å; E265-R268 PolarHBondContact OE2-NE 3.15Å; E265-R268 IonicContact OE2-NH2 3.56Å; E265-R268 PolarHBondContact OE2-NH2 3.12Å; E265-R268 VanDerWaalsContact OE2-NH2 3.08Å; E265-C269 PolarHBondContact O-N 3.42Å; E265-C269 PolarHBondContact O-SG 3.19Å; E265-C269 VanDerWaalsContact O-SG 3.32Å
266	E	98.9	Very high	98.8	Very high	14 Å²	14	71.5 Å²	71.5	7%	0.065	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-43.3	174.9	-73.2	-177.7	170.9	0	0	111.9	P249 L251 N262 C269 L270 S305 F308	P249-E266 HydrophobicContact CB-CG 3.77Å; P249-E266 HydrophobicContact CG-CB 4.45Å; P249-E266 HydrophobicContact CG-CG 3.85Å; L251-E266 HydrophobicContact CD2-CG 4.22Å; N262-E266 WeakPolarHBondContact O-CG 3.34Å; N262-E266 PolarHBondContact O-N 2.87Å; E266-C269 PolarHBondContact O-N 3.11Å; E266-L270 VanDerWaalsContact O-CG 3.3Å; E266-L270 WeakPolarHBondContact O-CG 3.24Å; E266-L270 PolarHBondContact O-N 2.98Å; E266-S305 VanDerWaalsContact CD-OG 3.29Å; E266-S305 VanDerWaalsContact OE1-CB 3.28Å; E266-S305 WeakPolarHBondContact OE1-CB 3.19Å; E266-S305 PolarHBondContact OE1-N 3.24Å; E266-S305 PolarHBondContact OE1-OG 2.86Å; E266-S305 WeakPolarHBondContact OE2-CB 3.44Å; E266-S305 PolarHBondContact OE2-OG 2.83Å; E266-F308 HydrophobicContact CB-CB 4.44Å; E266-F308 HydrophobicContact CB-CD2 4.08Å; E266-F308 HydrophobicContact CG-CB 4.2Å; E266-F308 HydrophobicContact CG-CD2 4.25Å; E266-F308 HydrophobicContact CG-CG 4.49Å
267	A	98.9	Very high	98.8	Very high	39 Å²	39	64.2 Å²	64.2	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-45.9	176.9	0	0	0	0	0	112	Q263 Q264 E265 C269 L270 E271	Q263-A267 VanDerWaalsContact O-CB 3.29Å; Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 3Å; Q264-A267 PolarHBondContact O-N 3.24Å; E265-A267 PolarHBondContact O-N 3.42Å; A267-C269 VanDerWaalsContact C-N 3.34Å; A267-C269 PolarHBondContact O-N 3.33Å; A267-L270 PolarHBondContact O-N 2.94Å; A267-E271 WeakPolarHBondContact O-CG 3.33Å; A267-E271 PolarHBondContact O-N 2.93Å
268	R	98.9	Very high	98.8	Very high	86 Å²	86	60.2 Å²	60.2	33%	0.325	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-46	176.2	-175.7	-166.2	66.1	75.8	2.5	111.5	Q264 E265 L270 E271 E272	Q264-R268 WeakPolarHBondContact O-CB 3.49Å; Q264-R268 PolarHBondContact O-N 3.32Å; E265-R268 VanDerWaalsContact CD-NH2 3.29Å; E265-R268 PolarHBondContact O-N 2.79Å; E265-R268 IonicContact OE1-CZ 2.61Å; E265-R268 IonicContact OE1-NH2 3.89Å; E265-R268 PolarHBondContact OE1-NH2 2.96Å; E265-R268 IonicContact OE2-CZ 2.8Å; E265-R268 IonicContact OE2-NE 3.78Å; E265-R268 PolarHBondContact OE2-NE 3.15Å; E265-R268 IonicContact OE2-NH2 3.56Å; E265-R268 PolarHBondContact OE2-NH2 3.12Å; E265-R268 VanDerWaalsContact OE2-NH2 3.08Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 2.95Å; R268-E271 PolarHBondContact O-N 3.12Å; R268-E272 IonicContact CZ-OE1 2.76Å; R268-E272 VanDerWaalsContact NH1-CD 3.29Å; R268-E272 IonicContact NH1-OE1 3.65Å; R268-E272 PolarHBondContact NH1-OE1 3.15Å; R268-E272 IonicContact NH1-OE2 3.75Å; R268-E272 PolarHBondContact O-N 2.7Å
269	C	98.9	Very high	98.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-41.9	177.7	-69.6	0	0	0	0	112.1	P247 P249 E265 E266 A267 E272 V273 F308	P247-C269 HydrophobicContact CG-CB 4.18Å; P249-C269 HydrophobicContact CG-CB 4.1Å; E265-C269 PolarHBondContact O-N 3.42Å; E265-C269 PolarHBondContact O-SG 3.19Å; E265-C269 VanDerWaalsContact O-SG 3.32Å; E266-C269 PolarHBondContact O-N 3.11Å; A267-C269 VanDerWaalsContact C-N 3.34Å; A267-C269 PolarHBondContact O-N 3.33Å; C269-E272 PolarHBondContact O-N 2.77Å; C269-V273 WeakPolarHBondContact O-CG2 3.26Å; C269-V273 PolarHBondContact O-N 3.37Å; C269-F308 HydrophobicContact CB-CE2 4.17Å
270	L	98.9	Very high	98.8	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-40.5	177.1	-70.6	166.2	0	0	0	112.5	E266 A267 R268 V273 E274 F308 K311 L312 I315	E266-L270 VanDerWaalsContact O-CG 3.3Å; E266-L270 WeakPolarHBondContact O-CG 3.24Å; E266-L270 PolarHBondContact O-N 2.98Å; A267-L270 PolarHBondContact O-N 2.94Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 2.95Å; L270-V273 PolarHBondContact O-N 3.27Å; L270-E274 PolarHBondContact O-N 2.95Å; L270-F308 HydrophobicContact CD1-CD2 4.04Å; L270-F308 HydrophobicContact CD2-CD2 3.84Å; L270-F308 HydrophobicContact CD2-CE2 3.74Å; L270-F308 HydrophobicContact CD2-CZ 4.5Å; L270-F308 HydrophobicContact CG-CD2 3.72Å; L270-F308 HydrophobicContact CG-CE2 3.77Å; L270-K311 HydrophobicContact CD1-CB 3.67Å; L270-K311 HydrophobicContact CD1-CD 3.71Å; L270-K311 HydrophobicContact CD1-CG 4.35Å; L270-K311 HydrophobicContact CD2-CB 4.13Å; L270-L312 HydrophobicContact CD2-CB 3.86Å; L270-L312 HydrophobicContact CD2-CD1 4.31Å; L270-I315 HydrophobicContact CB-CD1 3.94Å; L270-I315 HydrophobicContact CD2-CD1 3.76Å; L270-I315 HydrophobicContact CG-CD1 4.43Å
271	E	98.8	Very high	98.8	Very high	130 Å²	130	58 Å²	58	61%	0.607	28%	0.276	S	S	*	.	H	α-helix	trans	-61	-45.4	174.2	-72.5	175.9	-172.4	0	0	111.2	A267 R268 V273 E274 D275	A267-E271 WeakPolarHBondContact O-CG 3.33Å; A267-E271 PolarHBondContact O-N 2.93Å; R268-E271 PolarHBondContact O-N 3.12Å; E271-V273 VanDerWaalsContact C-N 3.33Å; E271-V273 PolarHBondContact O-N 3.05Å; E271-E274 PolarHBondContact O-N 3.41Å; E271-E274 VanDerWaalsContact O-N 3.15Å; E271-D275 PolarHBondContact O-N 3.47Å
272	E	98.8	Very high	98.8	Very high	72 Å²	72	62 Å²	62	34%	0.336	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-33.4	178.5	-74.7	-174.6	-149.9	0	0	113.4	P247 R268 C269 D275 L276	P247-E272 VanDerWaalsContact CD-OE2 3.32Å; P247-E272 WeakPolarHBondContact CD-OE2 3.25Å; P247-E272 HydrophobicContact CG-CB 4.22Å; P247-E272 VanDerWaalsContact CG-OE2 3.27Å; P247-E272 WeakPolarHBondContact CG-OE2 3.2Å; R268-E272 IonicContact CZ-OE1 2.76Å; R268-E272 VanDerWaalsContact NH1-CD 3.29Å; R268-E272 IonicContact NH1-OE1 3.65Å; R268-E272 PolarHBondContact NH1-OE1 3.15Å; R268-E272 IonicContact NH1-OE2 3.75Å; R268-E272 PolarHBondContact O-N 2.7Å; C269-E272 PolarHBondContact O-N 2.77Å; E272-D275 PolarHBondContact O-N 3.38Å; E272-L276 WeakPolarHBondContact O-CB 3.49Å; E272-L276 VanDerWaalsContact O-CG 3.27Å; E272-L276 WeakPolarHBondContact O-CG 3.29Å; E272-L276 PolarHBondContact O-N 3.14Å
273	V	98.9	Very high	98.8	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-49.5	171.2	169.9	0	0	0	0	110.3	L211 F213 A246 C269 L270 E271 D275 L276 I277 I290 L312 I315	L211-V273 HydrophobicContact CD1-CG1 4.09Å; L211-V273 HydrophobicContact CD2-CG1 4.27Å; L211-V273 HydrophobicContact CD2-CG2 4.43Å; F213-V273 HydrophobicContact CE1-CG2 3.71Å; F213-V273 HydrophobicContact CZ-CG2 3.89Å; A246-V273 HydrophobicContact CB-CG2 3.54Å; C269-V273 WeakPolarHBondContact O-CG2 3.26Å; C269-V273 PolarHBondContact O-N 3.37Å; L270-V273 PolarHBondContact O-N 3.27Å; E271-V273 VanDerWaalsContact C-N 3.33Å; E271-V273 PolarHBondContact O-N 3.05Å; V273-D275 PolarHBondContact O-N 3.09Å; V273-L276 PolarHBondContact O-N 2.85Å; V273-I277 HydrophobicContact CG1-CD1 4.01Å; V273-I277 WeakPolarHBondContact O-CG1 2.75Å; V273-I277 PolarHBondContact O-N 3.48Å; V273-I290 HydrophobicContact CG1-CD1 4.31Å; V273-L312 HydrophobicContact CB-CD1 4.47Å; V273-L312 HydrophobicContact CG1-CD1 3.87Å; V273-L312 HydrophobicContact CG2-CD1 4.2Å; V273-I315 HydrophobicContact CG1-CG2 4.06Å
274	E	98.8	Very high	98.8	Very high	50 Å²	50	68.4 Å²	68.4	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-179.2	-177.6	151.1	-103.1	0	0	111.7	L270 E271 L276 I277 V278 I315 K318 H319	L270-E274 PolarHBondContact O-N 2.95Å; E271-E274 PolarHBondContact O-N 3.41Å; E271-E274 VanDerWaalsContact O-N 3.15Å; E274-L276 PolarHBondContact O-N 3.01Å; E274-I277 PolarHBondContact O-N 3.14Å; E274-V278 WeakPolarHBondContact O-CG2 3.44Å; E274-V278 PolarHBondContact O-N 3.1Å; E274-V278 VanDerWaalsContact O-N 3.12Å; E274-I315 HydrophobicContact CB-CG2 4.41Å; E274-K318 WeakPolarHBondContact OE1-CD 3.19Å; E274-K318 WeakPolarHBondContact OE1-CE 3.35Å; E274-K318 IonicContact OE1-NZ 2.77Å; E274-K318 PolarHBondContact OE1-NZ 3.01Å; E274-K318 IonicContact OE2-NZ 3.62Å; E274-K318 PolarHBondContact OE2-NZ 3.15Å; E274-H319 WeakPolarHBondContact CG-NE2 3.3Å; E274-H319 IonicContact OE1-CD2 3.8Å; E274-H319 IonicContact OE1-CE1 3.41Å; E274-H319 IonicContact OE1-NE2 2.76Å; E274-H319 PolarHBondContact OE1-NE2 2.94Å
275	D	98.9	Very high	98.8	Very high	111 Å²	111	64 Å²	64	59%	0.594	30%	0.296	S	S	*	.	H	α-helix	trans	-61.1	-43	174.6	-82.4	-14.9	0	0	0	112.6	E271 E272 V273 V278 K279	E271-D275 PolarHBondContact O-N 3.47Å; E272-D275 PolarHBondContact O-N 3.38Å; V273-D275 PolarHBondContact O-N 3.09Å; D275-V278 PolarHBondContact O-N 2.9Å; D275-K279 VanDerWaalsContact O-CB 3.22Å; D275-K279 WeakPolarHBondContact O-CB 3.4Å; D275-K279 PolarHBondContact O-N 3.34Å
276	L	98.9	Very high	98.8	Very high	27 Å²	27	62.9 Å²	62.9	14%	0.141	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-41.5	177.4	-78.2	169	0	0	0	111.8	L211 P244 I245 A246 E272 V273 E274 V278 K279 Y280	L211-L276 HydrophobicContact CD1-CB 3.94Å; L211-L276 HydrophobicContact CD1-CD1 4.48Å; P244-L276 HydrophobicContact CB-CB 3.96Å; P244-L276 HydrophobicContact CB-CD1 4.31Å; P244-L276 HydrophobicContact CB-CD2 4.09Å; P244-L276 HydrophobicContact CB-CG 4.36Å; I245-L276 WeakPolarHBondContact O-CD1 3Å; A246-L276 HydrophobicContact CB-CD1 3.83Å; E272-L276 WeakPolarHBondContact O-CB 3.49Å; E272-L276 VanDerWaalsContact O-CG 3.27Å; E272-L276 WeakPolarHBondContact O-CG 3.29Å; E272-L276 PolarHBondContact O-N 3.14Å; V273-L276 PolarHBondContact O-N 2.85Å; E274-L276 PolarHBondContact O-N 3.01Å; L276-V278 PolarHBondContact O-N 3.2Å; L276-K279 PolarHBondContact O-N 3.5Å; L276-Y280 HydrophobicContact CD2-CD2 4.4Å; L276-Y280 HydrophobicContact CD2-CE2 4.11Å; L276-Y280 WeakPolarHBondContact O-CB 3.33Å; L276-Y280 WeakPolarHBondContact O-CD2 3.04Å; L276-Y280 PolarHBondContact O-N 3.49Å
277	I	98.9	Very high	98.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-47.6	176.2	-66	164.4	0	0	0	110.5	L211 V273 E274 R281 V287 I290 I315 H319	L211-I277 HydrophobicContact CD1-CG1 3.99Å; V273-I277 HydrophobicContact CG1-CD1 4.01Å; V273-I277 WeakPolarHBondContact O-CG1 2.75Å; V273-I277 PolarHBondContact O-N 3.48Å; E274-I277 PolarHBondContact O-N 3.14Å; I277-R281 WeakPolarHBondContact O-CB 3.34Å; I277-R281 PolarHBondContact O-N 2.98Å; I277-V287 HydrophobicContact CG1-CB 4.41Å; I277-V287 HydrophobicContact CG1-CG1 4.42Å; I277-V287 HydrophobicContact CG1-CG2 4.3Å; I277-V287 HydrophobicContact CG2-CB 4.5Å; I277-I290 HydrophobicContact CD1-CD1 4.05Å; I277-I315 HydrophobicContact CD1-CG2 3.9Å; I277-H319 HydrophobicContact CD1-CB 4.4Å; I277-H319 HydrophobicContact CG2-CB 3.78Å
278	V	98.8	Very high	98.8	Very high	54 Å²	54	60.4 Å²	60.4	33%	0.327	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-44.5	178.5	173.1	0	0	0	0	111.1	E274 D275 L276 K282	E274-V278 WeakPolarHBondContact O-CG2 3.44Å; E274-V278 PolarHBondContact O-N 3.1Å; E274-V278 VanDerWaalsContact O-N 3.12Å; D275-V278 PolarHBondContact O-N 2.9Å; L276-V278 PolarHBondContact O-N 3.2Å; V278-K282 WeakPolarHBondContact O-CG 3.08Å; V278-K282 PolarHBondContact O-N 2.93Å; V278-K282 VanDerWaalsContact O-N 3.14Å
279	K	98.9	Very high	98.8	Very high	119 Å²	119	56.3 Å²	56.3	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-48.9	178.8	-180	-178.8	179	-179.2	0	111.6	D275 L276 K282 K283	D275-K279 VanDerWaalsContact O-CB 3.22Å; D275-K279 WeakPolarHBondContact O-CB 3.4Å; D275-K279 PolarHBondContact O-N 3.34Å; L276-K279 PolarHBondContact O-N 3.5Å; K279-K282 WeakPolarHBondContact O-CB 3.47Å; K279-K282 PolarHBondContact O-N 3.45Å; K279-K283 WeakPolarHBondContact O-CG 3.15Å; K279-K283 PolarHBondContact O-N 3.28Å
280	Y	98.8	Very high	98.8	Very high	19 Å²	19	56.3 Å²	56.3	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-70.6	-33.7	-177.2	-90	-100.8	0	0	0	112.6	D242 P244 L276 K282 K283 K284 K285	D242-Y280 WeakPolarHBondContact O-CE1 3.1Å; D242-Y280 PolarHBondContact OD1-OH 3.41Å; P244-Y280 HydrophobicContact CB-CD2 3.6Å; P244-Y280 HydrophobicContact CB-CE1 4.47Å; P244-Y280 HydrophobicContact CB-CE2 3.53Å; P244-Y280 HydrophobicContact CB-CG 4.1Å; P244-Y280 HydrophobicContact CG-CD1 4.06Å; P244-Y280 HydrophobicContact CG-CD2 3.86Å; P244-Y280 HydrophobicContact CG-CE1 4.34Å; P244-Y280 HydrophobicContact CG-CE2 4.13Å; P244-Y280 HydrophobicContact CG-CG 3.82Å; L276-Y280 HydrophobicContact CD2-CD2 4.4Å; L276-Y280 HydrophobicContact CD2-CE2 4.11Å; L276-Y280 WeakPolarHBondContact O-CB 3.33Å; L276-Y280 WeakPolarHBondContact O-CD2 3.04Å; L276-Y280 PolarHBondContact O-N 3.49Å; Y280-K282 VanDerWaalsContact C-N 3.32Å; Y280-K282 PolarHBondContact O-N 3.29Å; Y280-K283 CarbonylContact O-C 3.58Å; Y280-K283 PolarHBondContact O-N 2.98Å; Y280-K284 PolarHBondContact O-N 2.76Å; Y280-K285 HydrophobicContact CD1-CB 3.77Å; Y280-K285 HydrophobicContact CD1-CD 4.37Å; Y280-K285 HydrophobicContact CE1-CD 4.33Å; Y280-K285 CarbonylContact O-C 3.44Å; Y280-K285 WeakPolarHBondContact O-CA 3.39Å; Y280-K285 PolarHBondContact O-N 3.21Å
281	R	98.5	Very high	98.8	Very high	95 Å²	95	55.6 Å²	55.6	36%	0.358	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-41.5	168.9	-175.8	175.3	-76.8	152	-2.5	111.9	I277 K284 H319	I277-R281 WeakPolarHBondContact O-CB 3.34Å; I277-R281 PolarHBondContact O-N 2.98Å; R281-K284 PolarHBondContact O-N 3.47Å; R281-K284 VanDerWaalsContact O-N 3.16Å; R281-H319 PolarHBondContact NH2-O 2.83Å
282	K	98.5	Very high	98.8	Very high	164 Å²	164	49.5 Å²	49.5	71%	0.713	23%	0.227	S	C	*	.	H	α-helix	trans	-65.4	-36	174.5	-71.2	175.7	-178.8	174.9	0	112.6	V278 K279 Y280 K284	V278-K282 WeakPolarHBondContact O-CG 3.08Å; V278-K282 PolarHBondContact O-N 2.93Å; V278-K282 VanDerWaalsContact O-N 3.14Å; K279-K282 WeakPolarHBondContact O-CB 3.47Å; K279-K282 PolarHBondContact O-N 3.45Å; Y280-K282 VanDerWaalsContact C-N 3.32Å; Y280-K282 PolarHBondContact O-N 3.29Å; K282-K284 PolarHBondContact O-N 3.21Å; K282-K284 VanDerWaalsContact O-N 3.14Å
283	K	98.4	Very high	98.8	Very high	96 Å²	96	46.6 Å²	46.6	42%	0.417	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	3	173.2	-65.3	179.2	99.7	-162.1	0	114	D242 K279 Y280 K285	D242-K283 IonicContact OD1-NZ 3.56Å; D242-K283 IonicContact OD2-NZ 3.62Å; D242-K283 PolarHBondContact OD2-NZ 3.3Å; K279-K283 WeakPolarHBondContact O-CG 3.15Å; K279-K283 PolarHBondContact O-N 3.28Å; Y280-K283 CarbonylContact O-C 3.58Å; Y280-K283 PolarHBondContact O-N 2.98Å; K283-K285 HydrophobicContact CB-CB 4.49Å; K283-K285 PolarHBondContact O-N 3.1Å
284	K	98.5	Very high	98.8	Very high	170 Å²	170	46.9 Å²	46.9	74%	0.739	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	19	-171.7	-52.5	-60.4	-176.5	178.2	0	113.8	Y280 R281 K282	Y280-K284 PolarHBondContact O-N 2.76Å; R281-K284 PolarHBondContact O-N 3.47Å; R281-K284 VanDerWaalsContact O-N 3.16Å; K282-K284 PolarHBondContact O-N 3.21Å; K282-K284 VanDerWaalsContact O-N 3.14Å
285	K	98.7	Very high	98.8	Very high	39 Å²	39	46 Å²	46	17%	0.17	21%	0.211	C	C	.	.			trans	-106.3	53	176.2	-70.3	-176.1	177.2	-67.5	0	111.8	D207 S209 D242 Y280 K283 V287	D207-K285 WeakPolarHBondContact O-CA 3.44Å; D207-K285 IonicContact OD1-NZ 2.82Å; D207-K285 PolarHBondContact OD1-NZ 2.66Å; D207-K285 WeakPolarHBondContact OD2-CG 3.24Å; D207-K285 IonicContact OD2-NZ 3.84Å; D207-K285 PolarHBondContact OD2-NZ 2.74Å; S209-K285 PolarHBondContact OG-O 3.15Å; D242-K285 HydrophobicContact CB-CD 4.5Å; Y280-K285 HydrophobicContact CD1-CB 3.77Å; Y280-K285 HydrophobicContact CD1-CD 4.37Å; Y280-K285 HydrophobicContact CE1-CD 4.33Å; Y280-K285 CarbonylContact O-C 3.44Å; Y280-K285 WeakPolarHBondContact O-CA 3.39Å; Y280-K285 PolarHBondContact O-N 3.21Å; K283-K285 HydrophobicContact CB-CB 4.49Å; K283-K285 PolarHBondContact O-N 3.1Å; K285-V287 PolarHBondContact O-N 2.93Å
286	T	98.8	Very high	98.8	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	18%	0.184	C	C	.	.			trans	-48.3	129.3	-169.9	-59	0	0	0	0	112.4	Y179 Y208 S209 A288	Y179-T286 HydrophobicContact CE1-CG2 3.72Å; Y179-T286 HydrophobicContact CE2-CG2 4.31Å; Y179-T286 VanDerWaalsContact CZ-CG2 3.47Å; Y179-T286 WeakPolarHBondContact OH-CG2 3.39Å; Y208-T286 WeakPolarHBondContact CA-O 3.45Å; S209-T286 PolarHBondContact N-O 3.5Å; S209-T286 PolarHBondContact OG-O 3.06Å; T286-A288 PolarHBondContact O-N 3.1Å; T286-A288 VanDerWaalsContact O-N 3.17Å
287	V	98.9	Very high	98.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	106.2	175.5	-176.6	0	0	0	0	108.8	S209 L211 P244 I277 K285 G289 C321	S209-V287 CarbonylContact O-C 3.39Å; S209-V287 WeakPolarHBondContact O-CA 3.49Å; S209-V287 WeakPolarHBondContact OG-CA 3.45Å; S209-V287 WeakPolarHBondContact OG-CG2 3.37Å; L211-V287 HydrophobicContact CB-CG1 3.78Å; P244-V287 HydrophobicContact CG-CG2 3.73Å; I277-V287 HydrophobicContact CG1-CB 4.41Å; I277-V287 HydrophobicContact CG1-CG1 4.42Å; I277-V287 HydrophobicContact CG1-CG2 4.3Å; I277-V287 HydrophobicContact CG2-CB 4.5Å; K285-V287 PolarHBondContact O-N 2.93Å; V287-G289 VanDerWaalsContact CG1-O 3.24Å; V287-G289 WeakPolarHBondContact CG1-O 3.32Å; V287-C321 PolarHBondContact O-SG 2.83Å
288	A	98.9	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-29.4	-179.7	0	0	0	0	0	112.2	I175 F176 Y179 Y208 S209 T286 A322	I175-A288 HydrophobicContact CG2-CB 3.95Å; I175-A288 WeakPolarHBondContact CG2-O 3.45Å; F176-A288 HydrophobicContact CD1-CB 3.73Å; F176-A288 HydrophobicContact CE1-CB 4.04Å; Y179-A288 VanDerWaalsContact CD2-CA 3.47Å; Y179-A288 HydrophobicContact CD2-CB 3.81Å; Y179-A288 HydrophobicContact CG-CB 3.94Å; Y208-A288 HydrophobicContact CD2-CB 4.4Å; Y208-A288 HydrophobicContact CG-CB 4.45Å; S209-A288 PolarHBondContact O-N 2.97Å; T286-A288 PolarHBondContact O-N 3.1Å; T286-A288 VanDerWaalsContact O-N 3.17Å; A288-A322 PolarHBondContact O-N 3.09Å
289	G	98.9	Very high	98.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	167.5	177	0	0	0	0	0	113.4	I210 L211 V287 A322	I210-G289 WeakPolarHBondContact CA-O 3.21Å; L211-G289 PolarHBondContact N-O 2.99Å; V287-G289 VanDerWaalsContact CG1-O 3.24Å; V287-G289 WeakPolarHBondContact CG1-O 3.32Å; G289-A322 CarbonylContact C-O 3.53Å; G289-A322 WeakPolarHBondContact CA-O 3.44Å
290	I	99	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.1	175.1	-60.9	169.2	0	0	0	106.8	L211 F213 V273 I277 A316 C321 A322 F323 L324	L211-I290 HydrophobicContact CB-CG1 4.11Å; L211-I290 HydrophobicContact CD2-CG1 4.34Å; L211-I290 HydrophobicContact CD2-CG2 3.94Å; L211-I290 WeakPolarHBondContact O-CA 3.44Å; F213-I290 HydrophobicContact CE2-CG2 3.82Å; F213-I290 HydrophobicContact CZ-CG2 4.35Å; V273-I290 HydrophobicContact CG1-CD1 4.31Å; I277-I290 HydrophobicContact CD1-CD1 4.05Å; I290-A316 HydrophobicContact CD1-CB 3.83Å; I290-C321 HydrophobicContact CD1-CB 4.34Å; I290-C321 HydrophobicContact CG1-CB 4.24Å; I290-A322 PolarHBondContact N-O 3.25Å; I290-F323 HydrophobicContact CB-CD2 4.24Å; I290-F323 HydrophobicContact CG2-CD2 4.35Å; I290-F323 HydrophobicContact CG2-CE2 4.23Å; I290-L324 WeakPolarHBondContact O-CB 3.47Å; I290-L324 PolarHBondContact O-N 2.95Å
291	I	98.9	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.1	173.2	-172.2	173.3	0	0	0	110.1	I210 L211 F213 H218 T227 L324	I210-I291 HydrophobicContact CG2-CB 4.17Å; I210-I291 HydrophobicContact CG2-CG2 3.7Å; L211-I291 PolarHBondContact O-N 2.85Å; F213-I291 WeakPolarHBondContact CD2-O 3.29Å; H218-I291 HydrophobicContact CB-CD1 3.94Å; H218-I291 VanDerWaalsContact CG-CD1 3.45Å; T227-I291 HydrophobicContact CG2-CG2 3.94Å; I291-L324 WeakPolarHBondContact CA-O 3.4Å; I291-L324 HydrophobicContact CB-CB 4.35Å; I291-L324 HydrophobicContact CB-CD2 4.09Å; I291-L324 HydrophobicContact CB-CG 4.32Å; I291-L324 HydrophobicContact CD1-CD2 3.62Å; I291-L324 HydrophobicContact CD1-CG 4.21Å; I291-L324 HydrophobicContact CG1-CB 4.4Å; I291-L324 HydrophobicContact CG1-CD2 3.76Å; I291-L324 HydrophobicContact CG1-CG 3.88Å
292	V	98.9	Very high	98.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	144	-179.7	70.5	0	0	0	0	111.8	F213 F248 F309 L312 F323 L324 V325 D326	F213-V292 HydrophobicContact CD2-CB 3.96Å; F213-V292 HydrophobicContact CD2-CG2 3.73Å; F213-V292 HydrophobicContact CE2-CB 3.79Å; F213-V292 HydrophobicContact CE2-CG2 3.75Å; F213-V292 HydrophobicContact CG-CG2 4.46Å; F213-V292 HydrophobicContact CZ-CG2 4.48Å; F248-V292 HydrophobicContact CE2-CG2 4.26Å; V292-F309 HydrophobicContact CG2-CE1 3.95Å; V292-L312 HydrophobicContact CB-CD2 4.42Å; V292-L312 HydrophobicContact CG1-CD2 4.21Å; V292-L312 HydrophobicContact CG2-CD2 4.3Å; V292-F323 HydrophobicContact CG1-CE2 3.92Å; V292-F323 HydrophobicContact CG1-CZ 3.69Å; V292-L324 PolarHBondContact N-O 2.92Å; V292-L324 VanDerWaalsContact N-O 3.08Å; V292-V325 WeakPolarHBondContact O-CA 3.45Å; V292-D326 PolarHBondContact O-N 3.36Å
293	E	98.9	Very high	98.5	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.051	19%	0.191	C	C	.	.			trans	-85.6	138.7	167.4	-66.8	156.8	82.4	0	0	109.6	A216 F217 H218 I295 Q296 S297 D326	A216-E293 WeakPolarHBondContact CA-OE2 3.34Å; F217-E293 PolarHBondContact N-OE2 3.44Å; H218-E293 IonicContact CE1-OE2 2.86Å; E293-I295 WeakPolarHBondContact CB-O 3.47Å; E293-I295 PolarHBondContact O-N 3.36Å; E293-Q296 HydrophobicContact CB-CG 4.46Å; E293-Q296 WeakPolarHBondContact OE1-CA 3.24Å; E293-S297 PolarHBondContact OE1-N 3.05Å; E293-D326 HydrophobicContact CG-CB 4.27Å
294	P	98.9	Very high	98.5	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.039	18%	0.176	C	C	.	.	S	Bend	trans	-58.7	-32.1	171.5	-25.9	34.7	0	0	0	113.7	F309 V325 D326 E327 A340 W344	P294-F309 VanDerWaalsContact O-CE2 3.3Å; P294-F309 WeakPolarHBondContact O-CE2 3.48Å; P294-F309 WeakPolarHBondContact O-CZ 3.43Å; P294-V325 HydrophobicContact CG-CG1 3.65Å; P294-D326 WeakPolarHBondContact CD-O 3.36Å; P294-E327 HydrophobicContact CG-CG 3.94Å; P294-A340 HydrophobicContact CB-CB 3.8Å; P294-A340 HydrophobicContact CG-CB 4.15Å; P294-W344 HydrophobicContact CB-CZ2 3.95Å; P294-W344 HydrophobicContact CG-CH2 4.49Å; P294-W344 HydrophobicContact CG-CZ2 4.08Å
295	I	98.9	Very high	98.5	Very high	31 Å²	31	25.6 Å²	25.6	16%	0.159	16%	0.155	C	C	.	.	S	Bend	trans	-140.6	119.8	170.6	-58	164.6	0	0	0	105.5	E293 S297 H303 T330 T335	E293-I295 WeakPolarHBondContact CB-O 3.47Å; E293-I295 PolarHBondContact O-N 3.36Å; I295-S297 PolarHBondContact O-N 3.14Å; I295-S297 PolarHBondContact O-OG 2.75Å; I295-H303 VanDerWaalsContact CD1-CE1 3.46Å; I295-H303 WeakPolarHBondContact CD1-CE1 3.08Å; I295-T330 HydrophobicContact CB-CG2 3.98Å; I295-T330 HydrophobicContact CD1-CG2 4.5Å; I295-T330 HydrophobicContact CG1-CG2 4.45Å; I295-T335 HydrophobicContact CD1-CG2 4.14Å
296	Q	98.8	Very high	98.5	Very high	2 Å²	2	27 Å²	27	1%	0.009	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-70.8	122.4	179.8	-67.7	-173	-31.5	0	0	109.6	M214 F248 E293 D301 N302	M214-Q296 PolarHBondContact O-NE2 3.18Å; M214-Q296 PolarHBondContact O-OE1 3.45Å; F248-Q296 HydrophobicContact CD1-CG 4.29Å; F248-Q296 HydrophobicContact CD2-CG 4.1Å; F248-Q296 HydrophobicContact CE1-CG 4.31Å; F248-Q296 HydrophobicContact CE2-CG 4.1Å; F248-Q296 HydrophobicContact CG-CG 4.19Å; F248-Q296 HydrophobicContact CZ-CG 4.21Å; E293-Q296 HydrophobicContact CB-CG 4.46Å; E293-Q296 WeakPolarHBondContact OE1-CA 3.24Å; Q296-D301 CarbonylContact O-C 3.54Å; Q296-D301 WeakPolarHBondContact O-CA 3.08Å; Q296-D301 PolarHBondContact O-N 2.9Å; Q296-N302 HydrophobicContact CB-CB 4.07Å; Q296-N302 PolarHBondContact N-O 3.38Å; Q296-N302 PolarHBondContact O-N 3.41Å; Q296-N302 PolarHBondContact OE1-ND2 2.93Å
297	S	97.8	Very high	98.5	Very high	13 Å²	13	29 Å²	29	9%	0.091	17%	0.174	C	C	.	.	S	Bend	trans	-95	-72.2	-171	-45.4	0	0	0	0	112.1	E293 I295 G299 G300 D301 Q329	E293-S297 PolarHBondContact OE1-N 3.05Å; I295-S297 PolarHBondContact O-N 3.14Å; I295-S297 PolarHBondContact O-OG 2.75Å; S297-G299 PolarHBondContact O-N 3.08Å; S297-G300 PolarHBondContact O-N 3Å; S297-D301 PolarHBondContact O-N 3.22Å; S297-D301 VanDerWaalsContact O-N 3.12Å; S297-Q329 PolarHBondContact OG-OE1 3.18Å
298	E	97.8	Very high	98.5	Very high	47 Å²	47	28.9 Å²	28.9	22%	0.22	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.1	179.7	-77.8	-65.9	147.5	0	0	114.8	F217 K231 G300	F217-E298 HydrophobicContact CB-CB 3.54Å; F217-E298 HydrophobicContact CB-CG 4.01Å; F217-E298 HydrophobicContact CD1-CB 4.46Å; F217-E298 HydrophobicContact CD1-CG 3.98Å; F217-E298 HydrophobicContact CD2-CB 3.98Å; F217-E298 HydrophobicContact CD2-CG 3.97Å; F217-E298 HydrophobicContact CE1-CG 4.46Å; F217-E298 HydrophobicContact CE2-CG 4.45Å; F217-E298 HydrophobicContact CG-CB 3.77Å; F217-E298 HydrophobicContact CG-CG 3.73Å; K231-E298 PolarHBondContact NZ-O 3.49Å; K231-E298 IonicContact NZ-OE2 2.8Å; K231-E298 PolarHBondContact NZ-OE2 2.61Å; E298-G300 VanDerWaalsContact C-N 3.25Å
299	G	96.1	Very high	98.5	Very high	25 Å²	25	29 Å²	29	26%	0.258	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.9	173.4	0	0	0	0	0	115.4	G215 S297 N302	G215-G299 WeakPolarHBondContact O-CA 3.23Å; G215-G299 PolarHBondContact O-N 2.75Å; S297-G299 PolarHBondContact O-N 3.08Å; G299-N302 PolarHBondContact O-ND2 3.21Å; G299-N302 VanDerWaalsContact O-ND2 3.14Å
300	G	96.9	Very high	98.5	Very high	48 Å²	48	32.8 Å²	32.8	50%	0.495	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.3	43.2	178.2	0	0	0	0	0	114.4	S297 E298 N302	S297-G300 PolarHBondContact O-N 3Å; E298-G300 VanDerWaalsContact C-N 3.25Å; G300-N302 VanDerWaalsContact C-N 3.3Å; G300-N302 PolarHBondContact O-N 3.28Å; G300-N302 PolarHBondContact O-OD1 3.17Å
301	D	98.4	Very high	98.5	Very high	114 Å²	114	37.6 Å²	37.6	61%	0.61	21%	0.209	S	C	*	.			trans	50.8	48.2	175.3	-65.9	-94.9	0	0	0	112.5	Q296 S297 H303	Q296-D301 CarbonylContact O-C 3.54Å; Q296-D301 WeakPolarHBondContact O-CA 3.08Å; Q296-D301 PolarHBondContact O-N 2.9Å; S297-D301 PolarHBondContact O-N 3.22Å; S297-D301 VanDerWaalsContact O-N 3.12Å; D301-H303 PolarHBondContact O-CD2 2.81Å; D301-H303 PolarHBondContact O-N 3.2Å
302	N	98.8	Very high	98.5	Very high	44 Å²	44	37.6 Å²	37.6	24%	0.235	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-81.6	116	-178.1	-51.3	-60.9	0	0	0	109.8	F248 Q296 G299 G300	F248-N302 HydrophobicContact CD1-CB 3.74Å; F248-N302 HydrophobicContact CE1-CB 3.74Å; F248-N302 WeakPolarHBondContact CE1-O 3.39Å; Q296-N302 HydrophobicContact CB-CB 4.07Å; Q296-N302 PolarHBondContact N-O 3.38Å; Q296-N302 PolarHBondContact O-N 3.41Å; Q296-N302 PolarHBondContact OE1-ND2 2.93Å; G299-N302 PolarHBondContact O-ND2 3.21Å; G299-N302 VanDerWaalsContact O-ND2 3.14Å; G300-N302 VanDerWaalsContact C-N 3.3Å; G300-N302 PolarHBondContact O-N 3.28Å; G300-N302 PolarHBondContact O-OD1 3.17Å
303	H	98.9	Very high	98.5	Very high	82 Å²	82	37.8 Å²	37.8	38%	0.38	21%	0.209	S	C	.	.			trans	-93.3	153.7	173.3	-72.5	-107.8	0	0	0	111.8	L251 I295 D301	L251-H303 WeakPolarHBondContact CD1-O 3.27Å; L251-H303 WeakPolarHBondContact CG-O 3.31Å; I295-H303 VanDerWaalsContact CD1-CE1 3.46Å; I295-H303 WeakPolarHBondContact CD1-CE1 3.08Å; D301-H303 PolarHBondContact O-CD2 2.81Å; D301-H303 PolarHBondContact O-N 3.2Å
304	A	98.8	Very high	98.5	Very high	14 Å²	14	41.2 Å²	41.2	12%	0.116	23%	0.228	C	C	.	.			trans	-135.2	161.8	163.5	0	0	0	0	0	108.8	F248 P249 F308 F309	F248-A304 HydrophobicContact CE1-CB 4.1Å; F248-A304 HydrophobicContact CZ-CB 3.79Å; P249-A304 HydrophobicContact CB-CB 4.44Å; P249-A304 HydrophobicContact CG-CB 4.12Å; A304-F308 HydrophobicContact CB-CB 4.1Å; A304-F308 HydrophobicContact CB-CD1 3.56Å; A304-F308 HydrophobicContact CB-CE1 4.2Å; A304-F308 HydrophobicContact CB-CG 3.93Å; A304-F309 HydrophobicContact CB-CE2 3.93Å; A304-F309 HydrophobicContact CB-CZ 4.18Å
305	S	98.9	Very high	98.5	Very high	40 Å²	40	41.9 Å²	41.9	28%	0.28	23%	0.231	S	C	.	.			trans	-66	153.9	178.7	77.9	0	0	0	0	111.8	E266 D307 F308 F309	E266-S305 VanDerWaalsContact CD-OG 3.29Å; E266-S305 VanDerWaalsContact OE1-CB 3.28Å; E266-S305 WeakPolarHBondContact OE1-CB 3.19Å; E266-S305 PolarHBondContact OE1-N 3.24Å; E266-S305 PolarHBondContact OE1-OG 2.86Å; E266-S305 WeakPolarHBondContact OE2-CB 3.44Å; E266-S305 PolarHBondContact OE2-OG 2.83Å; S305-D307 PolarHBondContact O-N 3.35Å; S305-D307 VanDerWaalsContact O-N 3.12Å; S305-D307 PolarHBondContact OG-N 3.1Å; S305-F308 WeakPolarHBondContact O-CB 3.4Å; S305-F308 PolarHBondContact O-N 3.27Å; S305-F308 VanDerWaalsContact O-N 3.09Å; S305-F308 PolarHBondContact OG-N 2.87Å; S305-F308 VanDerWaalsContact OG-N 3.12Å; S305-F309 WeakPolarHBondContact O-CD2 3.45Å; S305-F309 PolarHBondContact O-N 2.82Å
306	D	98.9	Very high	98.5	Very high	68 Å²	68	40.4 Å²	40.4	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-57.2	-28.3	171.2	-61	-37.5	0	0	0	112	F309 R310	D306-F309 PolarHBondContact O-N 2.48Å; D306-R310 VanDerWaalsContact CB-NH1 3.31Å; D306-R310 WeakPolarHBondContact O-CG 3.4Å; D306-R310 PolarHBondContact O-N 3.28Å
307	D	98.9	Very high	98.5	Very high	61 Å²	61	45.6 Å²	45.6	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-68.2	-38.1	178.4	-169.2	64.5	0	0	0	112.3	S305 F309 R310 K311	S305-D307 PolarHBondContact O-N 3.35Å; S305-D307 VanDerWaalsContact O-N 3.12Å; S305-D307 PolarHBondContact OG-N 3.1Å; D307-F309 PolarHBondContact O-N 3.42Å; D307-R310 VanDerWaalsContact CA-NH2 3.31Å; D307-R310 PolarHBondContact O-N 2.97Å; D307-R310 IonicContact OD1-NH2 2.67Å; D307-K311 WeakPolarHBondContact O-CG 3.48Å; D307-K311 PolarHBondContact O-N 2.85Å; D307-K311 WeakPolarHBondContact OD2-CE 3.35Å; D307-K311 IonicContact OD2-NZ 2.89Å; D307-K311 PolarHBondContact OD2-NZ 3.15Å
308	F	98.9	Very high	98.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-49.4	171.9	169.7	-96.3	0	0	0	111.1	F213 F248 P249 E266 C269 L270 A304 S305 R310 K311 L312	F213-F308 HydrophobicContact CE1-CZ 4.18Å; F248-F308 HydrophobicContact CE2-CE1 4.17Å; P249-F308 HydrophobicContact CG-CD1 4.44Å; P249-F308 HydrophobicContact CG-CD2 3.7Å; P249-F308 HydrophobicContact CG-CE1 4.27Å; P249-F308 HydrophobicContact CG-CE2 3.49Å; P249-F308 VanDerWaalsContact CG-CE2 3.49Å; P249-F308 HydrophobicContact CG-CG 4.18Å; P249-F308 HydrophobicContact CG-CZ 3.8Å; E266-F308 HydrophobicContact CB-CB 4.44Å; E266-F308 HydrophobicContact CB-CD2 4.08Å; E266-F308 HydrophobicContact CG-CB 4.2Å; E266-F308 HydrophobicContact CG-CD2 4.25Å; E266-F308 HydrophobicContact CG-CG 4.49Å; C269-F308 HydrophobicContact CB-CE2 4.17Å; L270-F308 HydrophobicContact CD1-CD2 4.04Å; L270-F308 HydrophobicContact CD2-CD2 3.84Å; L270-F308 HydrophobicContact CD2-CE2 3.74Å; L270-F308 HydrophobicContact CD2-CZ 4.5Å; L270-F308 HydrophobicContact CG-CD2 3.72Å; L270-F308 HydrophobicContact CG-CE2 3.77Å; A304-F308 HydrophobicContact CB-CB 4.1Å; A304-F308 HydrophobicContact CB-CD1 3.56Å; A304-F308 HydrophobicContact CB-CE1 4.2Å; A304-F308 HydrophobicContact CB-CG 3.93Å; S305-F308 WeakPolarHBondContact O-CB 3.4Å; S305-F308 PolarHBondContact O-N 3.27Å; S305-F308 VanDerWaalsContact O-N 3.09Å; S305-F308 PolarHBondContact OG-N 2.87Å; S305-F308 VanDerWaalsContact OG-N 3.12Å; F308-R310 PolarHBondContact O-N 3.27Å; F308-K311 PolarHBondContact O-N 3.39Å; F308-L312 HydrophobicContact CE1-CD2 4.11Å; F308-L312 HydrophobicContact CZ-CD2 4.29Å; F308-L312 WeakPolarHBondContact O-CB 3.47Å; F308-L312 PolarHBondContact O-N 2.8Å
309	F	98.9	Very high	98.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-37.9	-179.3	-67.2	-72.7	0	0	0	113.1	F248 V292 P294 A304 S305 D306 D307 L312 R313 W344	F248-F309 HydrophobicContact CE2-CE1 4.38Å; F248-F309 HydrophobicContact CE2-CZ 4.18Å; F248-F309 HydrophobicContact CZ-CZ 4.07Å; V292-F309 HydrophobicContact CG2-CE1 3.95Å; P294-F309 VanDerWaalsContact O-CE2 3.3Å; P294-F309 WeakPolarHBondContact O-CE2 3.48Å; P294-F309 WeakPolarHBondContact O-CZ 3.43Å; A304-F309 HydrophobicContact CB-CE2 3.93Å; A304-F309 HydrophobicContact CB-CZ 4.18Å; S305-F309 WeakPolarHBondContact O-CD2 3.45Å; S305-F309 PolarHBondContact O-N 2.82Å; D306-F309 PolarHBondContact O-N 2.48Å; D307-F309 PolarHBondContact O-N 3.42Å; F309-L312 PolarHBondContact O-N 3.08Å; F309-R313 WeakPolarHBondContact O-CB 3.45Å; F309-R313 PolarHBondContact O-N 3.48Å; F309-W344 HydrophobicContact CB-CD2 3.63Å; F309-W344 VanDerWaalsContact CB-CE2 3.41Å; F309-W344 HydrophobicContact CB-CE3 4.1Å; F309-W344 HydrophobicContact CB-CG 4.06Å; F309-W344 HydrophobicContact CB-CH2 4.19Å; F309-W344 HydrophobicContact CB-CZ2 3.72Å; F309-W344 HydrophobicContact CB-CZ3 4.37Å; F309-W344 HydrophobicContact CD1-CH2 4Å; F309-W344 AromaticContact CD1-CZ2 3.52Å; F309-W344 HydrophobicContact CD1-CZ2 3.52Å; F309-W344 AromaticContact CD2-CE2 3.81Å; F309-W344 HydrophobicContact CD2-CZ2 4.04Å; F309-W344 AromaticContact CD2-NE1 3.43Å; F309-W344 HydrophobicContact CE1-CZ2 4.11Å; F309-W344 HydrophobicContact CG-CD2 4.24Å; F309-W344 AromaticContact CG-CE2 3.48Å; F309-W344 VanDerWaalsContact CG-CE2 3.48Å; F309-W344 HydrophobicContact CG-CH2 4.22Å; F309-W344 AromaticContact CG-CZ2 3.48Å; F309-W344 HydrophobicContact CG-CZ2 3.48Å; F309-W344 VanDerWaalsContact CG-CZ2 3.48Å; F309-W344 AromaticContact CG-NE1 3.61Å
310	R	98.9	Very high	98.7	Very high	80 Å²	80	50.7 Å²	50.7	30%	0.302	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-47.6	172.9	-73.3	-171.9	-72.1	-88.4	-4.2	111.8	D306 D307 F308 R313 D314 W344 L346	D306-R310 VanDerWaalsContact CB-NH1 3.31Å; D306-R310 WeakPolarHBondContact O-CG 3.4Å; D306-R310 PolarHBondContact O-N 3.28Å; D307-R310 VanDerWaalsContact CA-NH2 3.31Å; D307-R310 PolarHBondContact O-N 2.97Å; D307-R310 IonicContact OD1-NH2 2.67Å; F308-R310 PolarHBondContact O-N 3.27Å; R310-R313 PolarHBondContact O-N 3.03Å; R310-D314 PolarHBondContact O-N 2.89Å; R310-D314 VanDerWaalsContact O-N 3.11Å; R310-W344 WeakPolarHBondContact CD-O 3.22Å; R310-W344 HydrophobicContact CG-CB 4.37Å; R310-W344 PolarHBondContact NH1-O 3.16Å; R310-L346 HydrophobicContact CG-CD1 4.04Å; R310-L346 HydrophobicContact CG-CD2 3.87Å; R310-L346 HydrophobicContact CG-CG 3.95Å
311	K	98.9	Very high	98.8	Very high	101 Å²	101	48.5 Å²	48.5	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-39	177.1	-73.3	170.4	174.3	164	0	112.2	L270 D307 F308 D314 I315	L270-K311 HydrophobicContact CD1-CB 3.67Å; L270-K311 HydrophobicContact CD1-CD 3.71Å; L270-K311 HydrophobicContact CD1-CG 4.35Å; L270-K311 HydrophobicContact CD2-CB 4.13Å; D307-K311 WeakPolarHBondContact O-CG 3.48Å; D307-K311 PolarHBondContact O-N 2.85Å; D307-K311 WeakPolarHBondContact OD2-CE 3.35Å; D307-K311 IonicContact OD2-NZ 2.89Å; D307-K311 PolarHBondContact OD2-NZ 3.15Å; F308-K311 PolarHBondContact O-N 3.39Å; K311-D314 WeakPolarHBondContact O-CB 3.25Å; K311-D314 PolarHBondContact O-N 2.92Å; K311-I315 WeakPolarHBondContact O-CG1 3.49Å; K311-I315 PolarHBondContact O-N 2.79Å
312	L	98.9	Very high	98.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-41.6	176.7	-177.6	62.2	0	0	0	111.7	F213 L270 V273 V292 F308 F309 D314 I315 A316 F323	F213-L312 HydrophobicContact CE1-CD2 4.46Å; F213-L312 HydrophobicContact CE2-CD2 3.97Å; F213-L312 HydrophobicContact CZ-CD1 3.88Å; F213-L312 HydrophobicContact CZ-CD2 3.53Å; F213-L312 HydrophobicContact CZ-CG 4.36Å; L270-L312 HydrophobicContact CD2-CB 3.86Å; L270-L312 HydrophobicContact CD2-CD1 4.31Å; V273-L312 HydrophobicContact CB-CD1 4.47Å; V273-L312 HydrophobicContact CG1-CD1 3.87Å; V273-L312 HydrophobicContact CG2-CD1 4.2Å; V292-L312 HydrophobicContact CB-CD2 4.42Å; V292-L312 HydrophobicContact CG1-CD2 4.21Å; V292-L312 HydrophobicContact CG2-CD2 4.3Å; F308-L312 HydrophobicContact CE1-CD2 4.11Å; F308-L312 HydrophobicContact CZ-CD2 4.29Å; F308-L312 WeakPolarHBondContact O-CB 3.47Å; F308-L312 PolarHBondContact O-N 2.8Å; F309-L312 PolarHBondContact O-N 3.08Å; L312-D314 VanDerWaalsContact C-N 3.29Å; L312-D314 PolarHBondContact O-N 2.89Å; L312-I315 PolarHBondContact O-N 2.8Å; L312-A316 PolarHBondContact O-N 3.39Å; L312-F323 HydrophobicContact CD2-CE2 3.8Å; L312-F323 HydrophobicContact CD2-CZ 4.01Å; L312-F323 HydrophobicContact CG-CE2 3.68Å; L312-F323 HydrophobicContact CG-CZ 4.07Å
313	R	98.9	Very high	98.9	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-42.2	172.2	172.1	59.3	-173.8	148.6	-11.2	111.3	F309 R310 A316 R317 F323 L346 D348 D351	F309-R313 WeakPolarHBondContact O-CB 3.45Å; F309-R313 PolarHBondContact O-N 3.48Å; R310-R313 PolarHBondContact O-N 3.03Å; R313-A316 WeakPolarHBondContact O-CB 3.19Å; R313-A316 PolarHBondContact O-N 3.45Å; R313-R317 PolarHBondContact O-N 2.92Å; R313-R317 VanDerWaalsContact O-N 3.07Å; R313-F323 HydrophobicContact CB-CD1 4.16Å; R313-F323 HydrophobicContact CB-CE1 4.02Å; R313-F323 HydrophobicContact CB-CZ 4.48Å; R313-F323 HydrophobicContact CG-CD1 4.4Å; R313-L346 HydrophobicContact CB-CD1 4.26Å; R313-L346 HydrophobicContact CG-CD1 4.14Å; R313-D348 IonicContact CZ-OD1 3.55Å; R313-D348 IonicContact CZ-OD2 2.79Å; R313-D348 PolarHBondContact NE-O 3.02Å; R313-D348 IonicContact NE-OD1 3.83Å; R313-D348 IonicContact NE-OD2 2.65Å; R313-D348 IonicContact NH2-OD1 2.98Å; R313-D348 PolarHBondContact NH2-OD1 2.79Å; R313-D348 IonicContact NH2-OD2 2.84Å; R313-D348 PolarHBondContact NH2-OD2 2.75Å; R313-D351 IonicContact CZ-OD1 3.43Å; R313-D351 IonicContact CZ-OD2 3.67Å; R313-D351 IonicContact NH1-OD1 2.99Å; R313-D351 IonicContact NH1-OD2 3.6Å; R313-D351 PolarHBondContact NH1-OD2 3.4Å; R313-D351 IonicContact NH2-OD1 3.26Å; R313-D351 PolarHBondContact NH2-OD1 3.39Å; R313-D351 IonicContact NH2-OD2 2.74Å
314	D	98.9	Very high	98.9	Very high	84 Å²	84	37.2 Å²	37.2	45%	0.449	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-39.7	177.4	-71.7	-16.6	0	0	0	112.6	R310 K311 L312 R317 K318	R310-D314 PolarHBondContact O-N 2.89Å; R310-D314 VanDerWaalsContact O-N 3.11Å; K311-D314 WeakPolarHBondContact O-CB 3.25Å; K311-D314 PolarHBondContact O-N 2.92Å; L312-D314 VanDerWaalsContact C-N 3.29Å; L312-D314 PolarHBondContact O-N 2.89Å; D314-R317 PolarHBondContact O-N 3.02Å; D314-R317 IonicContact OD1-CZ 3.89Å; D314-R317 IonicContact OD1-NH1 2.76Å; D314-R317 PolarHBondContact OD1-NH1 3.34Å; D314-K318 VanDerWaalsContact O-CB 3.3Å; D314-K318 WeakPolarHBondContact O-CB 3.34Å; D314-K318 PolarHBondContact O-N 2.96Å
315	I	98.9	Very high	98.9	Very high	20 Å²	20	36.5 Å²	36.5	10%	0.103	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-46.1	172.9	-68.6	169.8	0	0	0	110.5	L270 V273 E274 I277 K311 L312 R317 K318 H319	L270-I315 HydrophobicContact CB-CD1 3.94Å; L270-I315 HydrophobicContact CD2-CD1 3.76Å; L270-I315 HydrophobicContact CG-CD1 4.43Å; V273-I315 HydrophobicContact CG1-CG2 4.06Å; E274-I315 HydrophobicContact CB-CG2 4.41Å; I277-I315 HydrophobicContact CD1-CG2 3.9Å; K311-I315 WeakPolarHBondContact O-CG1 3.49Å; K311-I315 PolarHBondContact O-N 2.79Å; L312-I315 PolarHBondContact O-N 2.8Å; I315-R317 VanDerWaalsContact C-N 3.32Å; I315-R317 PolarHBondContact O-N 3.48Å; I315-K318 PolarHBondContact O-N 3.15Å; I315-H319 PolarHBondContact O-CD2 2.78Å; I315-H319 PolarHBondContact O-N 2.95Å; I315-H319 VanDerWaalsContact O-N 3.14Å
316	A	98.9	Very high	98.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-55.3	-49.9	177.2	0	0	0	0	0	111	I290 L312 R313 H319 G320 C321 F323	I290-A316 HydrophobicContact CD1-CB 3.83Å; L312-A316 PolarHBondContact O-N 3.39Å; R313-A316 WeakPolarHBondContact O-CB 3.19Å; R313-A316 PolarHBondContact O-N 3.45Å; A316-H319 PolarHBondContact O-N 2.99Å; A316-G320 PolarHBondContact O-N 3.26Å; A316-G320 VanDerWaalsContact O-N 3.13Å; A316-C321 CarbonylContact C-O 3.59Å; A316-C321 HydrophobicContact CB-CB 4.49Å; A316-C321 PolarHBondContact O-N 3.26Å; A316-F323 HydrophobicContact CB-CB 3.94Å; A316-F323 HydrophobicContact CB-CD2 3.79Å; A316-F323 HydrophobicContact CB-CG 4.17Å
317	R	98.8	Very high	98.9	Very high	110 Å²	110	31.6 Å²	31.6	42%	0.415	15%	0.148	S	C	.	.	H	α-helix	trans	-62.1	-46.3	178.8	-165.8	-174.9	-57.5	102.3	-2	112	R313 D314 I315 H319 G320 D348	R313-R317 PolarHBondContact O-N 2.92Å; R313-R317 VanDerWaalsContact O-N 3.07Å; D314-R317 PolarHBondContact O-N 3.02Å; D314-R317 IonicContact OD1-CZ 3.89Å; D314-R317 IonicContact OD1-NH1 2.76Å; D314-R317 PolarHBondContact OD1-NH1 3.34Å; I315-R317 VanDerWaalsContact C-N 3.32Å; I315-R317 PolarHBondContact O-N 3.48Å; R317-H319 PolarHBondContact O-N 3.44Å; R317-G320 PolarHBondContact O-N 3.28Å; R317-G320 VanDerWaalsContact O-N 3.13Å; R317-D348 IonicContact CZ-OD2 2.71Å; R317-D348 IonicContact NE-OD2 3.44Å; R317-D348 PolarHBondContact NE-OD2 2.94Å; R317-D348 IonicContact NH2-OD2 3.9Å; R317-D348 PolarHBondContact NH2-OD2 3.34Å
318	K	98.8	Very high	98.9	Very high	141 Å²	141	30.5 Å²	30.5	61%	0.613	14%	0.144	S	C	*	.	H	α-helix	trans	-55	-39.1	179.6	176.8	-178	171.8	-169.4	0	112.2	E274 D314 I315	E274-K318 WeakPolarHBondContact OE1-CD 3.19Å; E274-K318 WeakPolarHBondContact OE1-CE 3.35Å; E274-K318 IonicContact OE1-NZ 2.77Å; E274-K318 PolarHBondContact OE1-NZ 3.01Å; E274-K318 IonicContact OE2-NZ 3.62Å; E274-K318 PolarHBondContact OE2-NZ 3.15Å; D314-K318 VanDerWaalsContact O-CB 3.3Å; D314-K318 WeakPolarHBondContact O-CB 3.34Å; D314-K318 PolarHBondContact O-N 2.96Å; I315-K318 PolarHBondContact O-N 3.15Å
319	H	98.8	Very high	98.9	Very high	26 Å²	26	33.3 Å²	33.3	12%	0.12	16%	0.157	C	C	.	.	H	α-helix	trans	-94.4	-2	-178.2	-72.5	-79.2	0	0	0	114.9	E274 I277 R281 I315 A316 R317 C321	E274-H319 WeakPolarHBondContact CG-NE2 3.3Å; E274-H319 IonicContact OE1-CD2 3.8Å; E274-H319 IonicContact OE1-CE1 3.41Å; E274-H319 IonicContact OE1-NE2 2.76Å; E274-H319 PolarHBondContact OE1-NE2 2.94Å; I277-H319 HydrophobicContact CD1-CB 4.4Å; I277-H319 HydrophobicContact CG2-CB 3.78Å; R281-H319 PolarHBondContact NH2-O 2.83Å; I315-H319 PolarHBondContact O-CD2 2.78Å; I315-H319 PolarHBondContact O-N 2.95Å; I315-H319 VanDerWaalsContact O-N 3.14Å; A316-H319 PolarHBondContact O-N 2.99Å; R317-H319 PolarHBondContact O-N 3.44Å; H319-C321 VanDerWaalsContact C-N 3.3Å
320	G	98.6	Very high	98.8	Very high	25 Å²	25	33.6 Å²	33.6	26%	0.258	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	26.1	-176.1	0	0	0	0	0	113.3	W178 Y179 K182 A316 R317	W178-G320 WeakPolarHBondContact CH2-O 3.27Å; Y179-G320 VanDerWaalsContact CE2-O 3.31Å; Y179-G320 WeakPolarHBondContact CE2-O 3.48Å; K182-G320 PolarHBondContact NZ-O 2.94Å; A316-G320 PolarHBondContact O-N 3.26Å; A316-G320 VanDerWaalsContact O-N 3.13Å; R317-G320 PolarHBondContact O-N 3.28Å; R317-G320 VanDerWaalsContact O-N 3.13Å
321	C	98.9	Very high	98.8	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.014	15%	0.153	C	C	.	.			trans	-84.8	138.5	171.3	-58.1	0	0	0	0	109.1	V287 I290 A316 H319	V287-C321 PolarHBondContact O-SG 2.83Å; I290-C321 HydrophobicContact CD1-CB 4.34Å; I290-C321 HydrophobicContact CG1-CB 4.24Å; A316-C321 CarbonylContact C-O 3.59Å; A316-C321 HydrophobicContact CB-CB 4.49Å; A316-C321 PolarHBondContact O-N 3.26Å; H319-C321 VanDerWaalsContact C-N 3.3Å
322	A	98.9	Very high	98.7	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	140.7	167.9	0	0	0	0	0	109.8	I175 W178 A288 G289 I290 D351	I175-A322 HydrophobicContact CB-CB 4.29Å; I175-A322 HydrophobicContact CD1-CB 3.95Å; I175-A322 HydrophobicContact CG1-CB 3.67Å; I175-A322 HydrophobicContact CG2-CB 3.76Å; W178-A322 HydrophobicContact CE3-CB 4.14Å; W178-A322 HydrophobicContact CH2-CB 4.15Å; W178-A322 HydrophobicContact CZ3-CB 3.71Å; A288-A322 PolarHBondContact O-N 3.09Å; G289-A322 CarbonylContact C-O 3.53Å; G289-A322 WeakPolarHBondContact CA-O 3.44Å; I290-A322 PolarHBondContact N-O 3.25Å; A322-D351 WeakPolarHBondContact CA-OD2 3.31Å; A322-D351 HydrophobicContact CB-CB 4.41Å
323	F	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.1	175.6	-162.5	-121.1	0	0	0	109.7	I290 V292 L312 R313 A316 V325 W344 P349 A350 D351 V352	I290-F323 HydrophobicContact CB-CD2 4.24Å; I290-F323 HydrophobicContact CG2-CD2 4.35Å; I290-F323 HydrophobicContact CG2-CE2 4.23Å; V292-F323 HydrophobicContact CG1-CE2 3.92Å; V292-F323 HydrophobicContact CG1-CZ 3.69Å; L312-F323 HydrophobicContact CD2-CE2 3.8Å; L312-F323 HydrophobicContact CD2-CZ 4.01Å; L312-F323 HydrophobicContact CG-CE2 3.68Å; L312-F323 HydrophobicContact CG-CZ 4.07Å; R313-F323 HydrophobicContact CB-CD1 4.16Å; R313-F323 HydrophobicContact CB-CE1 4.02Å; R313-F323 HydrophobicContact CB-CZ 4.48Å; R313-F323 HydrophobicContact CG-CD1 4.4Å; A316-F323 HydrophobicContact CB-CB 3.94Å; A316-F323 HydrophobicContact CB-CD2 3.79Å; A316-F323 HydrophobicContact CB-CG 4.17Å; F323-V325 HydrophobicContact CD1-CG2 3.87Å; F323-V325 HydrophobicContact CE1-CG2 3.65Å; F323-V325 HydrophobicContact CZ-CG2 4.4Å; F323-W344 HydrophobicContact CE1-CH2 4.28Å; F323-W344 AromaticContact CE1-CZ3 3.89Å; F323-W344 HydrophobicContact CE1-CZ3 3.89Å; F323-P349 WeakPolarHBondContact CD1-O 3.24Å; F323-A350 HydrophobicContact CD1-CB 3.95Å; F323-D351 PolarHBondContact N-OD2 3.18Å; F323-D351 PolarHBondContact O-N 3.28Å; F323-V352 PolarHBondContact O-N 3Å; F323-V352 VanDerWaalsContact O-N 3.14Å
324	L	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.4	179	173.8	59.1	0	0	0	109.6	A171 L172 I175 I290 I291 V292 V352 T354	A171-L324 HydrophobicContact CB-CD1 3.84Å; A171-L324 HydrophobicContact CB-CD2 3.84Å; L172-L324 HydrophobicContact CD2-CD2 3.78Å; I175-L324 HydrophobicContact CD1-CB 3.95Å; I175-L324 HydrophobicContact CD1-CD2 4.19Å; I290-L324 WeakPolarHBondContact O-CB 3.47Å; I290-L324 PolarHBondContact O-N 2.95Å; I291-L324 WeakPolarHBondContact CA-O 3.4Å; I291-L324 HydrophobicContact CB-CB 4.35Å; I291-L324 HydrophobicContact CB-CD2 4.09Å; I291-L324 HydrophobicContact CB-CG 4.32Å; I291-L324 HydrophobicContact CD1-CD2 3.62Å; I291-L324 HydrophobicContact CD1-CG 4.21Å; I291-L324 HydrophobicContact CG1-CB 4.4Å; I291-L324 HydrophobicContact CG1-CD2 3.76Å; I291-L324 HydrophobicContact CG1-CG 3.88Å; V292-L324 PolarHBondContact N-O 2.92Å; V292-L324 VanDerWaalsContact N-O 3.08Å; L324-V352 WeakPolarHBondContact CA-O 3.25Å; L324-V352 HydrophobicContact CD1-CB 3.74Å; L324-V352 HydrophobicContact CD1-CG1 3.61Å; L324-T354 HydrophobicContact CD1-CG2 3.96Å
325	V	98.9	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.9	176.1	178.9	0	0	0	0	109.2	V292 P294 F323 E327 H341 W344 A350 V352 M353 T354	V292-V325 WeakPolarHBondContact O-CA 3.45Å; P294-V325 HydrophobicContact CG-CG1 3.65Å; F323-V325 HydrophobicContact CD1-CG2 3.87Å; F323-V325 HydrophobicContact CE1-CG2 3.65Å; F323-V325 HydrophobicContact CZ-CG2 4.4Å; V325-E327 HydrophobicContact CG1-CG 3.78Å; V325-E327 PolarHBondContact O-N 3.37Å; V325-H341 HydrophobicContact CG1-CB 4.38Å; V325-W344 HydrophobicContact CB-CH2 4.48Å; V325-W344 HydrophobicContact CG1-CH2 3.9Å; V325-W344 HydrophobicContact CG2-CH2 3.66Å; V325-W344 HydrophobicContact CG2-CZ3 3.81Å; V325-A350 HydrophobicContact CB-CB 4.23Å; V325-A350 HydrophobicContact CG2-CB 3.55Å; V325-V352 PolarHBondContact N-O 2.83Å; V325-M353 HydrophobicContact CB-CG 4.45Å; V325-M353 VanDerWaalsContact O-CA 3.27Å; V325-M353 WeakPolarHBondContact O-CA 3.39Å; V325-M353 WeakPolarHBondContact O-CG 3.38Å; V325-T354 PolarHBondContact O-N 3.08Å
326	D	98.9	Very high	98.5	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	101.7	178.2	-168.7	-16.6	0	0	0	110.2	N168 H218 V292 E293 P294 V328	N168-D326 PolarHBondContact ND2-OD2 3.38Å; H218-D326 IonicContact CE1-OD2 3.58Å; H218-D326 IonicContact CG-OD2 2.78Å; H218-D326 IonicContact ND1-OD2 3.7Å; H218-D326 PolarHBondContact ND1-OD2 2.96Å; V292-D326 PolarHBondContact O-N 3.36Å; E293-D326 HydrophobicContact CG-CB 4.27Å; P294-D326 WeakPolarHBondContact CD-O 3.36Å; D326-V328 WeakPolarHBondContact OD1-CB 3.49Å; D326-V328 WeakPolarHBondContact OD1-CG2 3.27Å; D326-V328 PolarHBondContact OD1-N 2.75Å
327	E	98.9	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.24	C	C	.	.			trans	-106.5	26.6	176.5	-67.1	-125.1	-153.4	0	0	111.7	P294 V325 Q329 T330 G331 W339 A340 H341 M353 T354	P294-E327 HydrophobicContact CG-CG 3.94Å; V325-E327 HydrophobicContact CG1-CG 3.78Å; V325-E327 PolarHBondContact O-N 3.37Å; E327-Q329 PolarHBondContact O-N 3.2Å; E327-T330 PolarHBondContact OE2-OG1 3.36Å; E327-G331 WeakPolarHBondContact O-CA 3.38Å; E327-G331 PolarHBondContact O-N 2.91Å; E327-G331 VanDerWaalsContact O-N 3.12Å; E327-G331 PolarHBondContact OE2-N 2.92Å; E327-W339 HydrophobicContact CB-CE3 4.1Å; E327-W339 HydrophobicContact CB-CZ3 4.46Å; E327-W339 WeakPolarHBondContact OE2-CA 3.37Å; E327-A340 VanDerWaalsContact CD-N 3.34Å; E327-A340 PolarHBondContact OE1-N 2.84Å; E327-A340 VanDerWaalsContact OE1-N 3.12Å; E327-A340 PolarHBondContact OE2-N 3.49Å; E327-H341 WeakPolarHBondContact OE1-CB 3.31Å; E327-H341 IonicContact OE1-CE1 2.91Å; E327-H341 IonicContact OE1-CG 2.69Å; E327-H341 PolarHBondContact OE1-N 3.36Å; E327-H341 IonicContact OE1-ND1 2.69Å; E327-H341 PolarHBondContact OE1-ND1 3.16Å; E327-M353 HydrophobicContact CB-CG 4.15Å; E327-M353 HydrophobicContact CB-SD 4.22Å; E327-M353 HydrophobicContact CG-CG 3.98Å; E327-M353 HydrophobicContact CG-SD 4Å; E327-T354 CarbonylContact C-O 3.58Å; E327-T354 WeakPolarHBondContact CA-O 3.34Å; E327-T354 WeakPolarHBondContact CB-O 3.35Å; E327-T354 PolarHBondContact N-O 3.03Å
328	V	98.7	Very high	98.4	Very high	38 Å²	38	37.1 Å²	37.1	23%	0.23	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.4	174	164.5	0	0	0	0	111.6	D326 T356	D326-V328 WeakPolarHBondContact OD1-CB 3.49Å; D326-V328 WeakPolarHBondContact OD1-CG2 3.27Å; D326-V328 PolarHBondContact OD1-N 2.75Å; V328-T356 HydrophobicContact CB-CG2 4.31Å; V328-T356 HydrophobicContact CG1-CG2 3.52Å; V328-T356 WeakPolarHBondContact O-CG2 3.45Å
329	Q	98.6	Very high	98.4	Very high	59 Å²	59	31 Å²	31	28%	0.276	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-29.6	-179.6	-170.1	153	108.2	0	0	114.2	S297 E327	S297-Q329 PolarHBondContact OG-OE1 3.18Å; E327-Q329 PolarHBondContact O-N 3.2Å
330	T	98.6	Very high	98.4	Very high	7 Å²	7	30 Å²	30	4%	0.043	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.8	-177.7	48.7	0	0	0	0	113.5	I295 E327	I295-T330 HydrophobicContact CB-CG2 3.98Å; I295-T330 HydrophobicContact CD1-CG2 4.5Å; I295-T330 HydrophobicContact CG1-CG2 4.45Å; E327-T330 PolarHBondContact OE2-OG1 3.36Å
331	G	98.1	Very high	98.4	Very high	19 Å²	19	29.2 Å²	29.2	20%	0.196	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	159.4	175.9	0	0	0	0	0	112.8	E327	E327-G331 WeakPolarHBondContact O-CA 3.38Å; E327-G331 PolarHBondContact O-N 2.91Å; E327-G331 VanDerWaalsContact O-N 3.12Å; E327-G331 PolarHBondContact OE2-N 2.92Å
332	G	97.4	Very high	98.4	Very high	56 Å²	56	32.8 Å²	32.8	58%	0.577	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.5	4.7	176.2	0	0	0	0	0	115.2	F338	G332-F338 PolarHBondContact N-O 2.75Å
333	G	97.6	Very high	98.4	Very high	30 Å²	30	36.1 Å²	36.1	31%	0.309	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.2	-10.1	165.9	0	0	0	0	0	117.1	T335 G336 K337 F338	G333-T335 PolarHBondContact O-N 3.35Å; G333-T335 VanDerWaalsContact O-N 3.11Å; G333-G336 PolarHBondContact O-N 3.15Å; G333-K337 WeakPolarHBondContact CA-O 3.33Å; G333-F338 PolarHBondContact N-O 2.78Å
334	C	96.2	Very high	98.4	Very high	94 Å²	94	36.4 Å²	36.4	64%	0.635	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.1	-171.1	63.5	0	0	0	0	113.7	G336	C334-G336 VanDerWaalsContact C-N 3.31Å; C334-G336 PolarHBondContact O-N 2.77Å
335	T	98.1	Very high	98.4	Very high	40 Å²	40	39.2 Å²	39.2	25%	0.245	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.2	176.8	67.8	0	0	0	0	114	I295 G333 A340 H343	I295-T335 HydrophobicContact CD1-CG2 4.14Å; G333-T335 PolarHBondContact O-N 3.35Å; G333-T335 VanDerWaalsContact O-N 3.11Å; T335-A340 HydrophobicContact CG2-CB 3.92Å; T335-H343 PolarHBondContact O-CE1 2.89Å; T335-H343 PolarHBondContact O-NE2 3.46Å; T335-H343 PolarHBondContact OG1-NE2 3.41Å
336	G	98.2	Very high	98.4	Very high	70 Å²	70	41.1 Å²	41.1	72%	0.722	27%	0.269	S	S	*	.	S	Bend	trans	86.5	-0.6	-176	0	0	0	0	0	115	G333 C334	G333-G336 PolarHBondContact O-N 3.15Å; C334-G336 VanDerWaalsContact C-N 3.31Å; C334-G336 PolarHBondContact O-N 2.77Å
337	K	98.4	Very high	98.3	Very high	78 Å²	78	46.9 Å²	46.9	34%	0.339	30%	0.3	S	S	.	.	S	Bend	trans	-131.1	154.9	168.1	-67.5	-172.6	-178.5	-69.5	0	109.2	G333 W339 E342 H343	G333-K337 WeakPolarHBondContact CA-O 3.33Å; K337-W339 VanDerWaalsContact C-N 3.34Å; K337-W339 PolarHBondContact O-N 2.96Å; K337-E342 HydrophobicContact CB-CB 4.12Å; K337-E342 HydrophobicContact CD-CB 3.38Å; K337-E342 HydrophobicContact CG-CB 4.38Å; K337-H343 VanDerWaalsContact CE-ND1 3.29Å; K337-H343 WeakPolarHBondContact CE-ND1 3.45Å
338	F	98.5	Very high	98.3	Very high	86 Å²	86	49.8 Å²	49.8	38%	0.377	32%	0.315	S	S	.	.	S	Bend	trans	-62.1	-45.6	-174.4	-166.1	-78.3	0	0	0	110.9	V150 G332 G333 E342	V150-F338 HydrophobicContact CB-CD1 3.93Å; V150-F338 HydrophobicContact CB-CD2 4.42Å; V150-F338 HydrophobicContact CB-CE1 3.81Å; V150-F338 HydrophobicContact CB-CE2 4.31Å; V150-F338 HydrophobicContact CB-CG 4.25Å; V150-F338 HydrophobicContact CB-CZ 4.01Å; V150-F338 HydrophobicContact CG1-CD1 4.27Å; V150-F338 HydrophobicContact CG1-CD2 3.87Å; V150-F338 HydrophobicContact CG1-CE1 4.16Å; V150-F338 HydrophobicContact CG1-CE2 3.73Å; V150-F338 HydrophobicContact CG1-CG 4.14Å; V150-F338 HydrophobicContact CG1-CZ 3.89Å; V150-F338 HydrophobicContact CG2-CD1 4.24Å; V150-F338 HydrophobicContact CG2-CE1 3.62Å; V150-F338 HydrophobicContact CG2-CE2 4.44Å; V150-F338 HydrophobicContact CG2-CZ 3.73Å; G332-F338 PolarHBondContact N-O 2.75Å; G333-F338 PolarHBondContact N-O 2.78Å; F338-E342 PolarHBondContact N-OE1 3.45Å
339	W	98.8	Very high	98.3	Very high	14 Å²	14	48.1 Å²	48.1	5%	0.053	31%	0.305	C	S	.	.	S	Bend	trans	-111.5	135.1	167.8	-47.5	108.2	0	0	0	110.3	V150 E327 K337 H341 E342 M353 F355	V150-W339 HydrophobicContact CG2-CZ2 4.05Å; V150-W339 PolarHBondContact O-NE1 3.11Å; E327-W339 HydrophobicContact CB-CE3 4.1Å; E327-W339 HydrophobicContact CB-CZ3 4.46Å; E327-W339 WeakPolarHBondContact OE2-CA 3.37Å; K337-W339 VanDerWaalsContact C-N 3.34Å; K337-W339 PolarHBondContact O-N 2.96Å; W339-H341 VanDerWaalsContact C-N 3.29Å; W339-H341 VanDerWaalsContact CB-CE1 3.42Å; W339-H341 WeakPolarHBondContact CB-CE1 3.31Å; W339-H341 WeakPolarHBondContact CB-ND1 3.26Å; W339-H341 AromaticContact CG-CE1 3.85Å; W339-H341 PolarHBondContact O-N 2.66Å; W339-E342 HydrophobicContact CB-CG 4.17Å; W339-E342 PolarHBondContact N-OE1 2.93Å; W339-E342 VanDerWaalsContact O-CB 3.24Å; W339-E342 WeakPolarHBondContact O-CB 3.47Å; W339-E342 WeakPolarHBondContact O-CG 3.19Å; W339-E342 PolarHBondContact O-N 3.35Å; W339-E342 VanDerWaalsContact O-N 3.12Å; W339-M353 HydrophobicContact CB-SD 4.38Å; W339-M353 HydrophobicContact CD2-CE 3.51Å; W339-M353 HydrophobicContact CD2-SD 3.79Å; W339-M353 HydrophobicContact CE3-CE 3.5Å; W339-M353 VanDerWaalsContact CE3-CE 3.5Å; W339-M353 HydrophobicContact CE3-SD 3.89Å; W339-M353 HydrophobicContact CG-CE 4.29Å; W339-M353 HydrophobicContact CG-SD 4.04Å; W339-M353 HydrophobicContact CH2-CE 3.54Å; W339-M353 HydrophobicContact CZ2-CE 3.55Å; W339-M353 HydrophobicContact CZ3-CE 3.53Å; W339-M353 HydrophobicContact CZ3-SD 4.47Å; W339-F355 HydrophobicContact CH2-CB 3.88Å; W339-F355 AromaticContact CH2-CD1 3.93Å; W339-F355 HydrophobicContact CH2-CD1 3.93Å; W339-F355 HydrophobicContact CH2-CD2 4.3Å; W339-F355 AromaticContact CH2-CG 3.77Å; W339-F355 HydrophobicContact CH2-CG 3.77Å; W339-F355 HydrophobicContact CZ3-CB 3.65Å; W339-F355 HydrophobicContact CZ3-CD1 4.45Å; W339-F355 HydrophobicContact CZ3-CG 4.09Å
340	A	98.8	Very high	98.3	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-62.9	-34.2	-178.5	0	0	0	0	0	112.5	P294 E327 T335 E342 H343	P294-A340 HydrophobicContact CB-CB 3.8Å; P294-A340 HydrophobicContact CG-CB 4.15Å; E327-A340 VanDerWaalsContact CD-N 3.34Å; E327-A340 PolarHBondContact OE1-N 2.84Å; E327-A340 VanDerWaalsContact OE1-N 3.12Å; E327-A340 PolarHBondContact OE2-N 3.49Å; T335-A340 HydrophobicContact CG2-CB 3.92Å; A340-E342 PolarHBondContact O-N 2.95Å; A340-H343 WeakPolarHBondContact O-CB 3.24Å; A340-H343 PolarHBondContact O-CD2 2.91Å; A340-H343 PolarHBondContact O-N 3.22Å; A340-H343 VanDerWaalsContact O-N 3.09Å
341	H	98.8	Very high	98.3	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.032	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62.6	-16.5	177.1	76.9	-96.1	0	0	0	113.6	V325 E327 W339 H343 W344 P349 M353	V325-H341 HydrophobicContact CG1-CB 4.38Å; E327-H341 WeakPolarHBondContact OE1-CB 3.31Å; E327-H341 IonicContact OE1-CE1 2.91Å; E327-H341 IonicContact OE1-CG 2.69Å; E327-H341 PolarHBondContact OE1-N 3.36Å; E327-H341 IonicContact OE1-ND1 2.69Å; E327-H341 PolarHBondContact OE1-ND1 3.16Å; W339-H341 VanDerWaalsContact C-N 3.29Å; W339-H341 VanDerWaalsContact CB-CE1 3.42Å; W339-H341 WeakPolarHBondContact CB-CE1 3.31Å; W339-H341 WeakPolarHBondContact CB-ND1 3.26Å; W339-H341 AromaticContact CG-CE1 3.85Å; W339-H341 PolarHBondContact O-N 2.66Å; H341-H343 PolarHBondContact O-N 3.48Å; H341-W344 HydrophobicContact CB-CD2 3.79Å; H341-W344 HydrophobicContact CB-CE3 3.62Å; H341-W344 HydrophobicContact CB-CH2 3.68Å; H341-W344 HydrophobicContact CB-CZ2 3.85Å; H341-W344 HydrophobicContact CB-CZ3 3.55Å; H341-W344 VanDerWaalsContact O-CB 3.3Å; H341-W344 WeakPolarHBondContact O-CB 3.17Å; H341-W344 VanDerWaalsContact O-CG 3.29Å; H341-W344 PolarHBondContact O-N 3.34Å; H341-P349 WeakPolarHBondContact CD2-CB 3.3Å; H341-M353 VanDerWaalsContact CE1-SD 3.51Å
342	E	98.9	Very high	98.4	Very high	78 Å²	78	49.3 Å²	49.3	36%	0.364	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-61.3	-23.5	174.7	-68.6	175.7	-140.3	0	0	112.3	K337 F338 W339 A340 W344 G345	K337-E342 HydrophobicContact CB-CB 4.12Å; K337-E342 HydrophobicContact CD-CB 3.38Å; K337-E342 HydrophobicContact CG-CB 4.38Å; F338-E342 PolarHBondContact N-OE1 3.45Å; W339-E342 HydrophobicContact CB-CG 4.17Å; W339-E342 PolarHBondContact N-OE1 2.93Å; W339-E342 VanDerWaalsContact O-CB 3.24Å; W339-E342 WeakPolarHBondContact O-CB 3.47Å; W339-E342 WeakPolarHBondContact O-CG 3.19Å; W339-E342 PolarHBondContact O-N 3.35Å; W339-E342 VanDerWaalsContact O-N 3.12Å; A340-E342 PolarHBondContact O-N 2.95Å; E342-W344 PolarHBondContact O-N 3.43Å; E342-G345 PolarHBondContact O-N 3.1Å
343	H	98.9	Very high	98.5	Very high	72 Å²	72	47.7 Å²	47.7	33%	0.333	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-64.5	-25.8	173.7	-68.8	-67.5	0	0	0	112.6	T335 K337 A340 H341 G345	T335-H343 PolarHBondContact O-CE1 2.89Å; T335-H343 PolarHBondContact O-NE2 3.46Å; T335-H343 PolarHBondContact OG1-NE2 3.41Å; K337-H343 VanDerWaalsContact CE-ND1 3.29Å; K337-H343 WeakPolarHBondContact CE-ND1 3.45Å; A340-H343 WeakPolarHBondContact O-CB 3.24Å; A340-H343 PolarHBondContact O-CD2 2.91Å; A340-H343 PolarHBondContact O-N 3.22Å; A340-H343 VanDerWaalsContact O-N 3.09Å; H341-H343 PolarHBondContact O-N 3.48Å; H343-G345 PolarHBondContact O-N 3.24Å; H343-G345 VanDerWaalsContact O-N 3.17Å
344	W	98.8	Very high	98.5	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.023	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-68	-18.8	179.9	-50.8	-17.4	0	0	0	113.2	P294 F309 R310 F323 V325 H341 E342 L346	P294-W344 HydrophobicContact CB-CZ2 3.95Å; P294-W344 HydrophobicContact CG-CH2 4.49Å; P294-W344 HydrophobicContact CG-CZ2 4.08Å; F309-W344 HydrophobicContact CB-CD2 3.63Å; F309-W344 VanDerWaalsContact CB-CE2 3.41Å; F309-W344 HydrophobicContact CB-CE3 4.1Å; F309-W344 HydrophobicContact CB-CG 4.06Å; F309-W344 HydrophobicContact CB-CH2 4.19Å; F309-W344 HydrophobicContact CB-CZ2 3.72Å; F309-W344 HydrophobicContact CB-CZ3 4.37Å; F309-W344 HydrophobicContact CD1-CH2 4Å; F309-W344 AromaticContact CD1-CZ2 3.52Å; F309-W344 HydrophobicContact CD1-CZ2 3.52Å; F309-W344 AromaticContact CD2-CE2 3.81Å; F309-W344 HydrophobicContact CD2-CZ2 4.04Å; F309-W344 AromaticContact CD2-NE1 3.43Å; F309-W344 HydrophobicContact CE1-CZ2 4.11Å; F309-W344 HydrophobicContact CG-CD2 4.24Å; F309-W344 AromaticContact CG-CE2 3.48Å; F309-W344 VanDerWaalsContact CG-CE2 3.48Å; F309-W344 HydrophobicContact CG-CH2 4.22Å; F309-W344 AromaticContact CG-CZ2 3.48Å; F309-W344 HydrophobicContact CG-CZ2 3.48Å; F309-W344 VanDerWaalsContact CG-CZ2 3.48Å; F309-W344 AromaticContact CG-NE1 3.61Å; R310-W344 WeakPolarHBondContact CD-O 3.22Å; R310-W344 HydrophobicContact CG-CB 4.37Å; R310-W344 PolarHBondContact NH1-O 3.16Å; F323-W344 HydrophobicContact CE1-CH2 4.28Å; F323-W344 AromaticContact CE1-CZ3 3.89Å; F323-W344 HydrophobicContact CE1-CZ3 3.89Å; V325-W344 HydrophobicContact CB-CH2 4.48Å; V325-W344 HydrophobicContact CG1-CH2 3.9Å; V325-W344 HydrophobicContact CG2-CH2 3.66Å; V325-W344 HydrophobicContact CG2-CZ3 3.81Å; H341-W344 HydrophobicContact CB-CD2 3.79Å; H341-W344 HydrophobicContact CB-CE3 3.62Å; H341-W344 HydrophobicContact CB-CH2 3.68Å; H341-W344 HydrophobicContact CB-CZ2 3.85Å; H341-W344 HydrophobicContact CB-CZ3 3.55Å; H341-W344 VanDerWaalsContact O-CB 3.3Å; H341-W344 WeakPolarHBondContact O-CB 3.17Å; H341-W344 VanDerWaalsContact O-CG 3.29Å; H341-W344 PolarHBondContact O-N 3.34Å; E342-W344 PolarHBondContact O-N 3.43Å; W344-L346 VanDerWaalsContact C-N 3.33Å; W344-L346 HydrophobicContact CB-CD1 4.44Å; W344-L346 HydrophobicContact CB-CG 4.31Å; W344-L346 HydrophobicContact CE3-CD1 4.48Å; W344-L346 PolarHBondContact O-N 2.98Å
345	G	98.5	Very high	98.6	Very high	60 Å²	60	44.5 Å²	44.5	62%	0.619	26%	0.256	S	S	*	.			trans	70.1	25.3	175.7	0	0	0	0	0	114.5	E342 H343	E342-G345 PolarHBondContact O-N 3.1Å; H343-G345 PolarHBondContact O-N 3.24Å; H343-G345 VanDerWaalsContact O-N 3.17Å
346	L	98.3	Very high	98.4	Very high	40 Å²	40	45.2 Å²	45.2	21%	0.209	26%	0.26	C	S	.	.			trans	-91.7	146.7	-178.6	-67	178	0	0	0	112.6	R310 R313 W344 P349	R310-L346 HydrophobicContact CG-CD1 4.04Å; R310-L346 HydrophobicContact CG-CD2 3.87Å; R310-L346 HydrophobicContact CG-CG 3.95Å; R313-L346 HydrophobicContact CB-CD1 4.26Å; R313-L346 HydrophobicContact CG-CD1 4.14Å; W344-L346 VanDerWaalsContact C-N 3.33Å; W344-L346 HydrophobicContact CB-CD1 4.44Å; W344-L346 HydrophobicContact CB-CG 4.31Å; W344-L346 HydrophobicContact CE3-CD1 4.48Å; W344-L346 PolarHBondContact O-N 2.98Å; L346-P349 HydrophobicContact CB-CB 4.18Å
347	D	98.5	Very high	96.9	Very high	126 Å²	126	45.9 Å²	45.9	67%	0.674	27%	0.267	S	S	*	.	S	Bend	trans	-85.6	-23.6	168	-72.8	-30.2	0	0	0	112.7	K153 P349	K153-D347 IonicContact NZ-OD1 2.8Å; K153-D347 PolarHBondContact NZ-OD1 3.18Å; D347-P349 VanDerWaalsContact C-CD 3.42Å; D347-P349 WeakPolarHBondContact O-CD 3.36Å
348	D	98.4	Very high	96.9	Very high	61 Å²	61	44.3 Å²	44.3	33%	0.326	26%	0.263	S	S	.	.	S	Bend	trans	-122.4	70	174.5	173.2	27.7	0	0	0	109.2	R313 R317	R313-D348 IonicContact CZ-OD1 3.55Å; R313-D348 IonicContact CZ-OD2 2.79Å; R313-D348 PolarHBondContact NE-O 3.02Å; R313-D348 IonicContact NE-OD1 3.83Å; R313-D348 IonicContact NE-OD2 2.65Å; R313-D348 IonicContact NH2-OD1 2.98Å; R313-D348 PolarHBondContact NH2-OD1 2.79Å; R313-D348 IonicContact NH2-OD2 2.84Å; R313-D348 PolarHBondContact NH2-OD2 2.75Å; R317-D348 IonicContact CZ-OD2 2.71Å; R317-D348 IonicContact NE-OD2 3.44Å; R317-D348 PolarHBondContact NE-OD2 2.94Å; R317-D348 IonicContact NH2-OD2 3.9Å; R317-D348 PolarHBondContact NH2-OD2 3.34Å
349	P	98.6	Very high	96.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.013	26%	0.257	C	S	.	.			trans	-71.2	-34.6	-170.9	27.9	-34.5	0	0	0	113	F323 H341 L346 D347	F323-P349 WeakPolarHBondContact CD1-O 3.24Å; H341-P349 WeakPolarHBondContact CD2-CB 3.3Å; L346-P349 HydrophobicContact CB-CB 4.18Å; D347-P349 VanDerWaalsContact C-CD 3.42Å; D347-P349 WeakPolarHBondContact O-CD 3.36Å
350	A	98.8	Very high	96.7	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	27%	0.269	C	S	.	.			trans	-164	164.3	-176.8	0	0	0	0	0	111.4	M155 F323 V325	M155-A350 VanDerWaalsContact CE-C 3.5Å; M155-A350 HydrophobicContact CE-CB 3.54Å; M155-A350 WeakPolarHBondContact CE-O 3.26Å; F323-A350 HydrophobicContact CD1-CB 3.95Å; V325-A350 HydrophobicContact CB-CB 4.23Å; V325-A350 HydrophobicContact CG2-CB 3.55Å
351	D	98.9	Very high	96.5	Very high	70 Å²	70	45.9 Å²	45.9	37%	0.374	28%	0.282	S	S	.	.	S	Bend	trans	-90.7	-32.5	174.8	-57.1	-61	0	0	0	111.3	R313 A322 F323	R313-D351 IonicContact CZ-OD1 3.43Å; R313-D351 IonicContact CZ-OD2 3.67Å; R313-D351 IonicContact NH1-OD1 2.99Å; R313-D351 IonicContact NH1-OD2 3.6Å; R313-D351 PolarHBondContact NH1-OD2 3.4Å; R313-D351 IonicContact NH2-OD1 3.26Å; R313-D351 PolarHBondContact NH2-OD1 3.39Å; R313-D351 IonicContact NH2-OD2 2.74Å; A322-D351 WeakPolarHBondContact CA-OD2 3.31Å; A322-D351 HydrophobicContact CB-CB 4.41Å; F323-D351 PolarHBondContact N-OD2 3.18Å; F323-D351 PolarHBondContact O-N 3.28Å
352	V	98.9	Very high	96.4	Very high	36 Å²	36	48.3 Å²	48.3	22%	0.218	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.5	176.3	-173.1	0	0	0	0	108.6	A171 I175 F323 L324 V325	A171-V352 HydrophobicContact CB-CG1 3.9Å; I175-V352 HydrophobicContact CG1-CG2 4.31Å; F323-V352 PolarHBondContact O-N 3Å; F323-V352 VanDerWaalsContact O-N 3.14Å; L324-V352 WeakPolarHBondContact CA-O 3.25Å; L324-V352 HydrophobicContact CD1-CB 3.74Å; L324-V352 HydrophobicContact CD1-CG1 3.61Å; V325-V352 PolarHBondContact N-O 2.83Å
353	M	98.9	Very high	96.2	Very high	22 Å²	22	46.3 Å²	46.3	11%	0.108	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.1	169.9	-172.7	-165.3	80.2	0	0	109.2	P152 M155 V325 E327 W339 H341 F355	P152-M353 HydrophobicContact CG-CE 3.55Å; P152-M353 HydrophobicContact CG-SD 3.62Å; M155-M353 HydrophobicContact CE-CB 3.95Å; M155-M353 HydrophobicContact SD-CB 3.86Å; V325-M353 HydrophobicContact CB-CG 4.45Å; V325-M353 VanDerWaalsContact O-CA 3.27Å; V325-M353 WeakPolarHBondContact O-CA 3.39Å; V325-M353 WeakPolarHBondContact O-CG 3.38Å; E327-M353 HydrophobicContact CB-CG 4.15Å; E327-M353 HydrophobicContact CB-SD 4.22Å; E327-M353 HydrophobicContact CG-CG 3.98Å; E327-M353 HydrophobicContact CG-SD 4Å; W339-M353 HydrophobicContact CB-SD 4.38Å; W339-M353 HydrophobicContact CD2-CE 3.51Å; W339-M353 HydrophobicContact CD2-SD 3.79Å; W339-M353 HydrophobicContact CE3-CE 3.5Å; W339-M353 VanDerWaalsContact CE3-CE 3.5Å; W339-M353 HydrophobicContact CE3-SD 3.89Å; W339-M353 HydrophobicContact CG-CE 4.29Å; W339-M353 HydrophobicContact CG-SD 4.04Å; W339-M353 HydrophobicContact CH2-CE 3.54Å; W339-M353 HydrophobicContact CZ2-CE 3.55Å; W339-M353 HydrophobicContact CZ3-CE 3.53Å; W339-M353 HydrophobicContact CZ3-SD 4.47Å; H341-M353 VanDerWaalsContact CE1-SD 3.51Å; M353-F355 HydrophobicContact CE-CD1 3.96Å
354	T	98.9	Very high	96	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.043	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	149.8	174.6	45.2	0	0	0	0	110.2	N168 A171 L324 V325 E327	N168-T354 VanDerWaalsContact OD1-CB 3.28Å; N168-T354 WeakPolarHBondContact OD1-CB 3.4Å; N168-T354 WeakPolarHBondContact OD1-CG2 3.41Å; N168-T354 PolarHBondContact OD1-OG1 3.29Å; A171-T354 HydrophobicContact CB-CG2 3.74Å; L324-T354 HydrophobicContact CD1-CG2 3.96Å; V325-T354 PolarHBondContact O-N 3.08Å; E327-T354 CarbonylContact C-O 3.58Å; E327-T354 WeakPolarHBondContact CA-O 3.34Å; E327-T354 WeakPolarHBondContact CB-O 3.35Å; E327-T354 PolarHBondContact N-O 3.03Å
355	F	98.6	Very high	95.8	Very high	49 Å²	49	47.5 Å²	47.5	22%	0.215	31%	0.311	C	S	.	.			trans	-150.1	162.4	178.3	61.8	-89.9	0	0	0	109.4	L147 L158 W339 M353	L147-F355 HydrophobicContact CD1-CE2 4.21Å; L147-F355 HydrophobicContact CD1-CZ 3.96Å; L147-F355 HydrophobicContact CD2-CD2 4.49Å; L147-F355 HydrophobicContact CD2-CE2 3.48Å; L147-F355 VanDerWaalsContact CD2-CE2 3.48Å; L147-F355 HydrophobicContact CD2-CZ 3.7Å; L147-F355 HydrophobicContact CG-CE2 4.44Å; L147-F355 HydrophobicContact CG-CZ 4.31Å; L158-F355 HydrophobicContact CD1-CE1 4.18Å; L158-F355 HydrophobicContact CD1-CZ 4.06Å; W339-F355 HydrophobicContact CH2-CB 3.88Å; W339-F355 AromaticContact CH2-CD1 3.93Å; W339-F355 HydrophobicContact CH2-CD1 3.93Å; W339-F355 HydrophobicContact CH2-CD2 4.3Å; W339-F355 AromaticContact CH2-CG 3.77Å; W339-F355 HydrophobicContact CH2-CG 3.77Å; W339-F355 HydrophobicContact CZ3-CB 3.65Å; W339-F355 HydrophobicContact CZ3-CD1 4.45Å; W339-F355 HydrophobicContact CZ3-CG 4.09Å; M353-F355 HydrophobicContact CE-CD1 3.96Å
356	T	93.2	Very high	95.6	Very high	55 Å²	55	46.4 Å²	46.4	34%	0.337	29%	0.285	S	S	.	.			trans	-134.8	164.7	163.8	-165.7	0	0	0	0	108.4	V328	V328-T356 HydrophobicContact CB-CG2 4.31Å; V328-T356 HydrophobicContact CG1-CG2 3.52Å; V328-T356 WeakPolarHBondContact O-CG2 3.45Å
357	G	67.4	Low	95.4	Very high	84 Å²	84	47 Å²	47	87%	0.866	29%	0.292	S	S	*	.			trans	-93.5	0	163.2	0	0	0	0	0	111.2	S102	S102-G357 VanDerWaalsContact O-OXT 3.05Å

Retrieved 357 of 357 residues in 82.2 ms (Link to these results)

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