A0A077ZMA0_TRITR Loading...

Radical SAM domain containing protein

AlphaFold DB (P36979), UniProt , Accession A0A077ZMA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 384 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	40.9	Very low	242 Å²	242	137.7 Å²	137.7	100%	1.192	74%	0.736	S	S	*	*				0	117.8	0	-73.1	-172.8	-87.4	0	0	106.5	E3	M1-E3 PolarHBondContact O-N 3.33Å
2	S	33.9	Very low	41.9	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	72%	0.718	S	S	*	*			trans	-72.9	104.5	-173.1	44.6	0	0	0	0	110.9	Q4	S2-Q4 PolarHBondContact O-N 3.29Å
3	E	36.7	Very low	43.5	Very low	174 Å²	174	124.8 Å²	124.8	81%	0.813	67%	0.673	S	S	*	*			trans	-78.7	102.8	165	-83.5	177.4	153.5	0	0	108.7	M1 L5	M1-E3 PolarHBondContact O-N 3.33Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 2.86Å
4	Q	32.3	Very low	44.8	Very low	187 Å²	187	131.6 Å²	131.6	87%	0.874	69%	0.694	S	S	*	*			trans	-66.1	96.9	160.8	-79.2	175.3	-23.7	0	0	107.8	S2 V6	S2-Q4 PolarHBondContact O-N 3.29Å; Q4-V6 PolarHBondContact O-N 3.35Å
5	L	41.2	Very low	46.6	Very low	134 Å²	134	130.6 Å²	130.6	70%	0.702	69%	0.689	S	S	*	*			trans	-72	110.6	168.4	-86.5	138	0	0	0	108.6	E3 T7	E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 2.86Å; L5-T7 PolarHBondContact O-N 2.89Å
6	V	35.7	Very low	49.1	Very low	129 Å²	129	125.7 Å²	125.7	78%	0.782	68%	0.68	S	S	*	*			trans	-54.2	114.7	175.1	178.4	0	0	0	0	109.5	Q4	Q4-V6 PolarHBondContact O-N 3.35Å
7	T	36.7	Very low	51.8	Low	118 Å²	118	122.1 Å²	122.1	72%	0.724	66%	0.656	S	S	*	*			trans	-62	122.3	163.8	45.7	0	0	0	0	108	L5 E9	L5-T7 PolarHBondContact O-N 2.89Å; T7-E9 PolarHBondContact O-N 2.92Å
8	P	41.8	Very low	54.3	Low	72 Å²	72	117.8 Å²	117.8	47%	0.468	63%	0.633	S	S	.	*			trans	-62.7	127.7	178.1	-0.3	7.6	0	0	0	109.4	N10 V11	P8-N10 PolarHBondContact O-N 3.34Å; P8-V11 HydrophobicContact CG-CG2 4.31Å
9	E	45.6	Very low	56.7	Low	185 Å²	185	111.7 Å²	111.7	86%	0.864	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	11.5	-174.7	-72.2	179.5	148.4	0	0	115.7	T7	T7-E9 PolarHBondContact O-N 2.92Å
10	N	51.7	Low	58.8	Low	129 Å²	129	106.2 Å²	106.2	69%	0.69	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	27.9	-169.2	-81.8	-34.7	0	0	0	115.8	P8	P8-N10 PolarHBondContact O-N 3.34Å
11	V	61.5	Low	60.7	Low	26 Å²	26	101.1 Å²	101.1	16%	0.158	54%	0.543	C	S	.	.			trans	-86	-18.9	179.5	-162.8	0	0	0	0	113.1	P8 I18 N19 D22 L23	P8-V11 HydrophobicContact CG-CG2 4.31Å; V11-I18 HydrophobicContact CG1-CG2 3.83Å; V11-N19 PolarHBondContact O-N 3.25Å; V11-D22 HydrophobicContact CG1-CB 3.87Å; V11-L23 HydrophobicContact CG1-CD2 3.82Å
12	T	52.5	Low	63.8	Low	85 Å²	85	90.2 Å²	90.2	52%	0.521	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-81.8	136.4	-179.2	37.3	0	0	0	0	112.3	K17 I18	T12-K17 CarbonylContact C-O 3.56Å; T12-K17 WeakPolarHBondContact CA-O 3.38Å; T12-I18 HydrophobicContact CG2-CG1 4.22Å
13	T	63.6	Low	66.9	Low	22 Å²	22	85.1 Å²	85.1	14%	0.135	45%	0.453	C	S	.	.			trans	-80	174.4	176.2	68.8	0	0	0	0	110.7	D15 G16 K17 N19 E76	T13-D15 PolarHBondContact O-N 3.05Å; T13-G16 PolarHBondContact O-N 3.45Å; T13-K17 WeakPolarHBondContact CG2-O 3.41Å; T13-K17 PolarHBondContact N-O 3.1Å; T13-K17 PolarHBondContact OG1-N 2.7Å; T13-K17 PolarHBondContact OG1-O 3.36Å; T13-N19 HydrophobicContact CG2-CB 4.2Å; T13-E76 HydrophobicContact CG2-CG 4.24Å; T13-E76 WeakPolarHBondContact CG2-OE1 3.46Å
14	K	61.5	Low	69.8	Low	220 Å²	220	77.6 Å²	77.6	96%	0.957	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.1	177.9	-73.8	-172.1	178.3	-179.1	0	113.2	G16	K14-G16 VanDerWaalsContact C-N 3.33Å
15	D	71.5	Confident	73	Confident	117 Å²	117	72.7 Å²	72.7	63%	0.626	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	7.1	179.5	-52.9	-40.6	0	0	0	112.7	T13 K17 R78	T13-D15 PolarHBondContact O-N 3.05Å; D15-K17 VanDerWaalsContact C-N 3.28Å; D15-K17 PolarHBondContact O-N 2.92Å; D15-R78 IonicContact OD2-NH2 3.84Å
16	G	86.5	Confident	75.7	Confident	52 Å²	52	71.9 Å²	71.9	54%	0.536	38%	0.384	S	S	.	.	S	Bend	trans	78.1	3.9	-178.8	0	0	0	0	0	115	T13 K14	T13-G16 PolarHBondContact O-N 3.45Å; K14-G16 VanDerWaalsContact C-N 3.33Å
17	K	95.5	Very high	78.7	Confident	64 Å²	64	68.7 Å²	68.7	28%	0.278	36%	0.361	S	S	.	.			trans	-81.8	146.1	178.5	-63.3	-171.7	-178.1	-172.3	0	111.8	T12 T13 D15 K72 V74 E76	T12-K17 CarbonylContact C-O 3.56Å; T12-K17 WeakPolarHBondContact CA-O 3.38Å; T13-K17 WeakPolarHBondContact CG2-O 3.41Å; T13-K17 PolarHBondContact N-O 3.1Å; T13-K17 PolarHBondContact OG1-N 2.7Å; T13-K17 PolarHBondContact OG1-O 3.36Å; D15-K17 VanDerWaalsContact C-N 3.28Å; D15-K17 PolarHBondContact O-N 2.92Å; K17-K72 WeakPolarHBondContact CE-O 3.42Å; K17-K72 PolarHBondContact NZ-O 3.04Å; K17-V74 WeakPolarHBondContact CA-O 3.46Å; K17-E76 HydrophobicContact CB-CG 4.17Å; K17-E76 HydrophobicContact CD-CB 4.46Å
18	I	97.2	Very high	81.6	Confident	46 Å²	46	63 Å²	63	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.7	173.6	-68.7	171.7	0	0	0	109.2	V11 T12 L20 L23 F31 V74 A75 E76	V11-I18 HydrophobicContact CG1-CG2 3.83Å; T12-I18 HydrophobicContact CG2-CG1 4.22Å; I18-L20 HydrophobicContact CG2-CD2 4.44Å; I18-L20 PolarHBondContact O-N 3.11Å; I18-L23 HydrophobicContact CG2-CD1 4.02Å; I18-L23 HydrophobicContact CG2-CG 4.48Å; I18-F31 HydrophobicContact CB-CE2 4.41Å; I18-F31 HydrophobicContact CD1-CD2 3.89Å; I18-F31 HydrophobicContact CD1-CE2 3.79Å; I18-F31 HydrophobicContact CG2-CE2 4.49Å; I18-V74 PolarHBondContact N-O 3.39Å; I18-A75 CarbonylContact O-C 3.55Å; I18-A75 WeakPolarHBondContact O-CA 3.43Å; I18-A75 WeakPolarHBondContact O-CB 3.47Å; I18-E76 PolarHBondContact O-N 3.2Å
19	N	98.3	Very high	84.3	Confident	2 Å²	2	64 Å²	64	1%	0.011	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.4	171.9	-171.8	4.7	0	0	0	110	V11 T13 L21 D22 E76 R78 S146	V11-N19 PolarHBondContact O-N 3.25Å; T13-N19 HydrophobicContact CG2-CB 4.2Å; N19-L21 PolarHBondContact O-N 3.45Å; N19-L21 PolarHBondContact OD1-N 2.91Å; N19-D22 WeakPolarHBondContact O-CB 3.45Å; N19-D22 PolarHBondContact O-N 3.02Å; N19-E76 WeakPolarHBondContact CA-O 3.4Å; N19-E76 HydrophobicContact CB-CG 4.45Å; N19-E76 PolarHBondContact OD1-O 3.45Å; N19-R78 PolarHBondContact ND2-O 3.34Å; N19-R78 PolarHBondContact OD1-N 3.02Å; N19-S146 VanDerWaalsContact ND2-CB 3.32Å; N19-S146 WeakPolarHBondContact ND2-CB 3.42Å
20	L	98.7	Very high	86.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-65	-22.6	-177.6	-61.6	-168.8	0	0	0	112.8	I18 D22 L23 M28 F31 V45 M49 F57 A75 E76 I77	I18-L20 HydrophobicContact CG2-CD2 4.44Å; I18-L20 PolarHBondContact O-N 3.11Å; L20-D22 PolarHBondContact O-N 3.42Å; L20-L23 HydrophobicContact CD2-CD1 4.15Å; L20-L23 PolarHBondContact O-N 3.04Å; L20-M28 HydrophobicContact CB-CE 3.79Å; L20-M28 HydrophobicContact CB-SD 4.46Å; L20-M28 HydrophobicContact CD1-SD 4.45Å; L20-M28 HydrophobicContact CD2-CE 4.28Å; L20-M28 HydrophobicContact CD2-SD 3.88Å; L20-M28 HydrophobicContact CG-CE 4.44Å; L20-M28 HydrophobicContact CG-SD 4.49Å; L20-M28 VanDerWaalsContact O-CE 3.29Å; L20-M28 WeakPolarHBondContact O-CE 3.4Å; L20-F31 HydrophobicContact CD2-CD1 4.08Å; L20-F31 HydrophobicContact CD2-CE1 3.72Å; L20-F31 HydrophobicContact CD2-CZ 4.16Å; L20-V45 HydrophobicContact CD1-CG1 3.8Å; L20-M49 HydrophobicContact CB-CE 3.68Å; L20-M49 HydrophobicContact CB-SD 3.92Å; L20-M49 HydrophobicContact CD1-SD 4.17Å; L20-F57 HydrophobicContact CD1-CE1 3.67Å; L20-F57 HydrophobicContact CD1-CZ 3.76Å; L20-F57 HydrophobicContact CG-CZ 4.48Å; L20-A75 HydrophobicContact CD1-CB 4.45Å; L20-A75 HydrophobicContact CD2-CB 3.79Å; L20-A75 HydrophobicContact CG-CB 4.05Å; L20-E76 PolarHBondContact N-O 2.97Å; L20-I77 HydrophobicContact CB-CG1 4.15Å; L20-I77 HydrophobicContact CD1-CG1 4.14Å; L20-I77 HydrophobicContact CG-CG1 4.4Å
21	L	98.6	Very high	89.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-69.5	-12.3	174.4	-68.4	174.4	0	0	0	113.5	N19 L23 M49 Y50 I77 A79 V145 S146 I149 W153	N19-L21 PolarHBondContact O-N 3.45Å; N19-L21 PolarHBondContact OD1-N 2.91Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-M49 HydrophobicContact CD2-CE 3.73Å; L21-M49 HydrophobicContact CG-CE 4.23Å; L21-Y50 HydrophobicContact CD2-CE1 3.73Å; L21-I77 HydrophobicContact CD1-CG2 4.16Å; L21-I77 HydrophobicContact CD2-CG2 4.37Å; L21-I77 HydrophobicContact CG-CG2 4.05Å; L21-A79 HydrophobicContact CD1-CB 3.7Å; L21-V145 WeakPolarHBondContact O-CG1 3.42Å; L21-S146 WeakPolarHBondContact O-CA 3.44Å; L21-S146 PolarHBondContact O-N 3.3Å; L21-I149 HydrophobicContact CB-CG2 4.26Å; L21-I149 HydrophobicContact CD2-CG2 4.42Å; L21-I149 VanDerWaalsContact O-CG2 3.26Å; L21-I149 WeakPolarHBondContact O-CG2 3.45Å; L21-W153 HydrophobicContact CD2-CG 4.43Å
22	D	98.7	Very high	90.8	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.07	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-86.2	-5.4	174.4	-76.9	-57.7	0	0	0	113.3	V11 N19 L20 R144 V145 S146	V11-D22 HydrophobicContact CG1-CB 3.87Å; N19-D22 WeakPolarHBondContact O-CB 3.45Å; N19-D22 PolarHBondContact O-N 3.02Å; L20-D22 PolarHBondContact O-N 3.42Å; D22-R144 IonicContact OD2-NH1 3.73Å; D22-V145 HydrophobicContact CB-CB 4.47Å; D22-V145 PolarHBondContact OD1-N 3.21Å; D22-S146 VanDerWaalsContact CG-CB 3.41Å; D22-S146 VanDerWaalsContact OD1-CB 3.22Å; D22-S146 WeakPolarHBondContact OD1-CB 3.41Å; D22-S146 PolarHBondContact OD1-N 3.18Å; D22-S146 PolarHBondContact OD1-OG 3.07Å; D22-S146 WeakPolarHBondContact OD2-CB 3.48Å; D22-S146 PolarHBondContact OD2-OG 3.01Å
23	L	98.6	Very high	92.9	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	26%	0.262	C	S	.	.			trans	-107.9	125.1	-173	-52.3	-175.4	0	0	0	111.7	V11 I18 L20 L21 Q27 M28 F31	V11-L23 HydrophobicContact CG1-CD2 3.82Å; I18-L23 HydrophobicContact CG2-CD1 4.02Å; I18-L23 HydrophobicContact CG2-CG 4.48Å; L20-L23 HydrophobicContact CD2-CD1 4.15Å; L20-L23 PolarHBondContact O-N 3.04Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-Q27 HydrophobicContact CB-CB 4.01Å; L23-Q27 HydrophobicContact CD2-CB 4.08Å; L23-M28 HydrophobicContact CB-CB 4.48Å; L23-M28 HydrophobicContact CB-CE 3.79Å; L23-M28 HydrophobicContact CB-SD 4.46Å; L23-M28 HydrophobicContact CD1-CE 4.2Å; L23-M28 HydrophobicContact CD1-SD 3.96Å; L23-M28 HydrophobicContact CG-CE 4.46Å; L23-F31 HydrophobicContact CD1-CB 4Å; L23-F31 HydrophobicContact CD1-CG 4.19Å
24	N	98.5	Very high	94.5	Very high	15 Å²	15	59.7 Å²	59.7	8%	0.08	29%	0.289	C	S	.	.			trans	-70.9	175.5	163.7	73.9	17.7	0	0	0	111	Q26 Q27 M28 P190 E193 I194	N24-Q26 VanDerWaalsContact C-N 3.31Å; N24-Q26 PolarHBondContact O-N 3.45Å; N24-Q26 PolarHBondContact OD1-N 3.28Å; N24-Q26 VanDerWaalsContact OD1-N 3.07Å; N24-Q27 PolarHBondContact O-N 3.19Å; N24-Q27 WeakPolarHBondContact OD1-CB 3.42Å; N24-Q27 VanDerWaalsContact OD1-CG 3.3Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.36Å; N24-Q27 PolarHBondContact OD1-N 3.45Å; N24-Q27 PolarHBondContact OD1-OE1 3.1Å; N24-M28 WeakPolarHBondContact O-CB 3.26Å; N24-M28 PolarHBondContact O-N 3.35Å; N24-P190 HydrophobicContact CB-CB 4.34Å; N24-E193 HydrophobicContact CB-CB 4.48Å; N24-E193 PolarHBondContact ND2-OE2 2.95Å; N24-I194 HydrophobicContact CB-CG1 4.33Å
25	R	98.6	Very high	96.2	Very high	84 Å²	84	50.5 Å²	50.5	32%	0.317	25%	0.25	S	S	.	.	H	α-helix	trans	-58.7	-39	-177.6	-174.9	171.8	68.5	-168.3	3	113.7	M28 R29 M46 D197	R25-M28 PolarHBondContact O-N 3.33Å; R25-R29 WeakPolarHBondContact O-CG 3.23Å; R25-R29 PolarHBondContact O-N 3.13Å; R25-M46 HydrophobicContact CB-CE 4.11Å; R25-M46 HydrophobicContact CB-SD 3.77Å; R25-M46 HydrophobicContact CG-SD 3.91Å; R25-D197 VanDerWaalsContact CB-OD2 3.27Å; R25-D197 WeakPolarHBondContact CB-OD2 3.25Å; R25-D197 WeakPolarHBondContact CD-OD2 3.28Å; R25-D197 IonicContact CZ-OD1 3.72Å; R25-D197 IonicContact CZ-OD2 3.06Å; R25-D197 IonicContact NE-OD1 2.98Å; R25-D197 IonicContact NE-OD2 3.28Å; R25-D197 PolarHBondContact NE-OD2 3.12Å; R25-D197 IonicContact NH1-OD1 2.7Å; R25-D197 PolarHBondContact NH1-OD1 3.19Å; R25-D197 IonicContact NH1-OD2 2.74Å; R25-D197 PolarHBondContact NH1-OD2 3Å; R25-D197 VanDerWaalsContact NH1-OD2 3.12Å; R25-D197 IonicContact NH2-OD2 3.81Å
26	Q	98.5	Very high	97.4	Very high	117 Å²	117	48.2 Å²	48.2	55%	0.547	26%	0.255	S	S	.	.	H	α-helix	trans	-65.8	-47.3	179.2	178.8	177.1	-19.2	0	0	111	N24 M28 R29 E30	N24-Q26 VanDerWaalsContact C-N 3.31Å; N24-Q26 PolarHBondContact O-N 3.45Å; N24-Q26 PolarHBondContact OD1-N 3.28Å; N24-Q26 VanDerWaalsContact OD1-N 3.07Å; Q26-M28 VanDerWaalsContact C-N 3.32Å; Q26-M28 PolarHBondContact O-N 3.37Å; Q26-R29 PolarHBondContact O-N 3.36Å; Q26-E30 PolarHBondContact O-N 3.35Å; Q26-E30 VanDerWaalsContact O-N 3.11Å
27	Q	98.4	Very high	97.9	Very high	62 Å²	62	48.2 Å²	48.2	29%	0.29	24%	0.241	S	C	.	.	H	α-helix	trans	-64.5	-37.3	177.8	-67	165.4	-31.9	0	0	111.5	L23 N24 R29 E30 F31	L23-Q27 HydrophobicContact CB-CB 4.01Å; L23-Q27 HydrophobicContact CD2-CB 4.08Å; N24-Q27 PolarHBondContact O-N 3.19Å; N24-Q27 WeakPolarHBondContact OD1-CB 3.42Å; N24-Q27 VanDerWaalsContact OD1-CG 3.3Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.36Å; N24-Q27 PolarHBondContact OD1-N 3.45Å; N24-Q27 PolarHBondContact OD1-OE1 3.1Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.18Å; Q27-E30 PolarHBondContact O-N 2.85Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 PolarHBondContact O-N 3.25Å
28	M	98.5	Very high	98	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-40.8	174	-163.9	67.3	72.1	0	0	111.4	L20 L23 N24 R25 Q26 F31 F32 A42 M46 M49	L20-M28 HydrophobicContact CB-CE 3.79Å; L20-M28 HydrophobicContact CB-SD 4.46Å; L20-M28 HydrophobicContact CD1-SD 4.45Å; L20-M28 HydrophobicContact CD2-CE 4.28Å; L20-M28 HydrophobicContact CD2-SD 3.88Å; L20-M28 HydrophobicContact CG-CE 4.44Å; L20-M28 HydrophobicContact CG-SD 4.49Å; L20-M28 VanDerWaalsContact O-CE 3.29Å; L20-M28 WeakPolarHBondContact O-CE 3.4Å; L23-M28 HydrophobicContact CB-CB 4.48Å; L23-M28 HydrophobicContact CB-CE 3.79Å; L23-M28 HydrophobicContact CB-SD 4.46Å; L23-M28 HydrophobicContact CD1-CE 4.2Å; L23-M28 HydrophobicContact CD1-SD 3.96Å; L23-M28 HydrophobicContact CG-CE 4.46Å; N24-M28 WeakPolarHBondContact O-CB 3.26Å; N24-M28 PolarHBondContact O-N 3.35Å; R25-M28 PolarHBondContact O-N 3.33Å; Q26-M28 VanDerWaalsContact C-N 3.32Å; Q26-M28 PolarHBondContact O-N 3.37Å; M28-F31 WeakPolarHBondContact O-CB 3.5Å; M28-F31 PolarHBondContact O-N 2.86Å; M28-F31 HydrophobicContact SD-CD1 4.25Å; M28-F32 HydrophobicContact CG-CD2 4.04Å; M28-F32 HydrophobicContact CG-CE2 3.94Å; M28-F32 VanDerWaalsContact O-CD2 3.28Å; M28-F32 WeakPolarHBondContact O-CD2 3.21Å; M28-F32 PolarHBondContact O-N 3.4Å; M28-F32 HydrophobicContact SD-CD2 4.41Å; M28-F32 HydrophobicContact SD-CE2 3.96Å; M28-A42 HydrophobicContact CB-CB 3.94Å; M28-A42 HydrophobicContact CG-CB 3.55Å; M28-M46 HydrophobicContact CE-CG 4.48Å; M28-M46 HydrophobicContact CG-CG 4.35Å; M28-M49 HydrophobicContact CE-CE 4.37Å; M28-M49 HydrophobicContact CE-SD 4.36Å
29	R	98.5	Very high	98	Very high	91 Å²	91	53.1 Å²	53.1	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-41.5	176.9	-75.9	176.8	173.9	-164.2	-2.5	112.6	R25 Q26 Q27 F32 K33 P39 A42 D43	R25-R29 WeakPolarHBondContact O-CG 3.23Å; R25-R29 PolarHBondContact O-N 3.13Å; Q26-R29 PolarHBondContact O-N 3.36Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.18Å; R29-F32 PolarHBondContact O-N 2.92Å; R29-K33 WeakPolarHBondContact O-CB 3.49Å; R29-K33 PolarHBondContact O-N 3.22Å; R29-P39 HydrophobicContact CG-CB 4.21Å; R29-A42 HydrophobicContact CG-CB 3.71Å; R29-D43 IonicContact CZ-OD1 3.66Å; R29-D43 IonicContact NE-OD1 3.12Å; R29-D43 PolarHBondContact NE-OD1 2.89Å; R29-D43 IonicContact NH2-OD1 3.27Å; R29-D43 PolarHBondContact NH2-OD1 3.26Å; R29-D43 VanDerWaalsContact NH2-OD1 3.12Å; R29-D43 IonicContact NH2-OD2 3.12Å; R29-D43 PolarHBondContact NH2-OD2 2.89Å
30	E	98.2	Very high	98	Very high	88 Å²	88	57.6 Å²	57.6	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-41.8	173.4	-67.8	-55.7	126.3	0	0	111.2	Q26 Q27 F32 K33 D34	Q26-E30 PolarHBondContact O-N 3.35Å; Q26-E30 VanDerWaalsContact O-N 3.11Å; Q27-E30 PolarHBondContact O-N 2.85Å; E30-F32 PolarHBondContact O-N 3.46Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.49Å; E30-K33 VanDerWaalsContact O-N 3.1Å; E30-K33 IonicContact OE1-NZ 3.71Å; E30-K33 WeakPolarHBondContact OE2-CD 3.35Å; E30-K33 IonicContact OE2-NZ 2.86Å; E30-K33 PolarHBondContact OE2-NZ 3Å; E30-D34 PolarHBondContact O-N 3.48Å
31	F	98.2	Very high	98	Very high	17 Å²	17	59.4 Å²	59.4	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-55.6	-47.3	173.8	170.1	-105.3	0	0	0	112.2	I18 L20 L23 Q27 M28 K33 D34 L35 L71 V74 A75	I18-F31 HydrophobicContact CB-CE2 4.41Å; I18-F31 HydrophobicContact CD1-CD2 3.89Å; I18-F31 HydrophobicContact CD1-CE2 3.79Å; I18-F31 HydrophobicContact CG2-CE2 4.49Å; L20-F31 HydrophobicContact CD2-CD1 4.08Å; L20-F31 HydrophobicContact CD2-CE1 3.72Å; L20-F31 HydrophobicContact CD2-CZ 4.16Å; L23-F31 HydrophobicContact CD1-CB 4Å; L23-F31 HydrophobicContact CD1-CG 4.19Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 PolarHBondContact O-N 3.25Å; M28-F31 WeakPolarHBondContact O-CB 3.5Å; M28-F31 PolarHBondContact O-N 2.86Å; M28-F31 HydrophobicContact SD-CD1 4.25Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 3.07Å; F31-D34 PolarHBondContact O-N 3.07Å; F31-L35 HydrophobicContact CD1-CD1 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.74Å; F31-L35 HydrophobicContact CE2-CD1 4.17Å; F31-L35 HydrophobicContact CE2-CG 4.43Å; F31-L35 HydrophobicContact CZ-CD1 3.61Å; F31-L35 HydrophobicContact CZ-CG 4.34Å; F31-L35 WeakPolarHBondContact O-CG 3.13Å; F31-L35 PolarHBondContact O-N 3.19Å; F31-L71 HydrophobicContact CE1-CD2 3.95Å; F31-L71 HydrophobicContact CZ-CD2 4.36Å; F31-V74 HydrophobicContact CE2-CG2 4.3Å; F31-V74 HydrophobicContact CZ-CG2 3.9Å; F31-A75 HydrophobicContact CE1-CB 4.43Å; F31-A75 HydrophobicContact CZ-CB 3.84Å
32	F	98.2	Very high	98	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-34.4	176.9	-86.2	-78.2	0	0	0	113.2	M28 R29 E30 L35 G36 E37 R41 A42 V45 L67 L71	M28-F32 HydrophobicContact CG-CD2 4.04Å; M28-F32 HydrophobicContact CG-CE2 3.94Å; M28-F32 VanDerWaalsContact O-CD2 3.28Å; M28-F32 WeakPolarHBondContact O-CD2 3.21Å; M28-F32 PolarHBondContact O-N 3.4Å; M28-F32 HydrophobicContact SD-CD2 4.41Å; M28-F32 HydrophobicContact SD-CE2 3.96Å; R29-F32 PolarHBondContact O-N 2.92Å; E30-F32 PolarHBondContact O-N 3.46Å; F32-L35 CarbonylContact O-C 3.6Å; F32-L35 PolarHBondContact O-N 3.03Å; F32-G36 PolarHBondContact O-N 3.45Å; F32-E37 HydrophobicContact CB-CB 4.31Å; F32-E37 HydrophobicContact CD1-CB 3.93Å; F32-E37 HydrophobicContact CD1-CG 4.38Å; F32-E37 WeakPolarHBondContact O-CB 3.36Å; F32-E37 PolarHBondContact O-N 3.02Å; F32-R41 HydrophobicContact CD1-CB 3.51Å; F32-R41 HydrophobicContact CD1-CG 4.42Å; F32-R41 HydrophobicContact CD2-CB 4.49Å; F32-R41 HydrophobicContact CE1-CB 3.72Å; F32-R41 HydrophobicContact CG-CB 3.95Å; F32-R41 HydrophobicContact CZ-CB 4.34Å; F32-A42 HydrophobicContact CD2-CB 3.8Å; F32-A42 HydrophobicContact CE2-CB 4.32Å; F32-V45 HydrophobicContact CE2-CB 4.32Å; F32-V45 HydrophobicContact CE2-CG2 4.32Å; F32-V45 HydrophobicContact CZ-CB 4.16Å; F32-V45 HydrophobicContact CZ-CG2 3.69Å; F32-L67 HydrophobicContact CE1-CD1 4.24Å; F32-L67 HydrophobicContact CE1-CD2 4.38Å; F32-L71 HydrophobicContact CE1-CD1 4.4Å; F32-L71 HydrophobicContact CE1-CD2 3.95Å; F32-L71 HydrophobicContact CZ-CD1 4.31Å; F32-L71 HydrophobicContact CZ-CD2 3.87Å
33	K	97.5	Very high	98	Very high	121 Å²	121	59.9 Å²	59.9	53%	0.526	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-40	175.3	179.1	-172.6	165.9	-161.4	0	111.6	R29 E30 F31 L35 G36	R29-K33 WeakPolarHBondContact O-CB 3.49Å; R29-K33 PolarHBondContact O-N 3.22Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.49Å; E30-K33 VanDerWaalsContact O-N 3.1Å; E30-K33 IonicContact OE1-NZ 3.71Å; E30-K33 WeakPolarHBondContact OE2-CD 3.35Å; E30-K33 IonicContact OE2-NZ 2.86Å; E30-K33 PolarHBondContact OE2-NZ 3Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 3.07Å; K33-L35 PolarHBondContact O-N 3.43Å; K33-G36 WeakPolarHBondContact O-CA 3.42Å; K33-G36 PolarHBondContact O-N 3.08Å
34	D	96.8	Very high	97.9	Very high	132 Å²	132	60.7 Å²	60.7	71%	0.706	30%	0.3	S	S	*	.	H	α-helix	trans	-65.1	-27	175.1	-67.7	-17	0	0	0	112.2	E30 F31 G36	E30-D34 PolarHBondContact O-N 3.48Å; F31-D34 PolarHBondContact O-N 3.07Å; D34-G36 VanDerWaalsContact C-N 3.25Å; D34-G36 PolarHBondContact O-N 3.27Å
35	L	96.4	Very high	97.9	Very high	26 Å²	26	60 Å²	60	14%	0.136	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0	170.6	-57.7	-179.2	0	0	0	113.6	F31 F32 K33 E37 K70 L71 V74	F31-L35 HydrophobicContact CD1-CD1 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.74Å; F31-L35 HydrophobicContact CE2-CD1 4.17Å; F31-L35 HydrophobicContact CE2-CG 4.43Å; F31-L35 HydrophobicContact CZ-CD1 3.61Å; F31-L35 HydrophobicContact CZ-CG 4.34Å; F31-L35 WeakPolarHBondContact O-CG 3.13Å; F31-L35 PolarHBondContact O-N 3.19Å; F32-L35 CarbonylContact O-C 3.6Å; F32-L35 PolarHBondContact O-N 3.03Å; K33-L35 PolarHBondContact O-N 3.43Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 HydrophobicContact CB-CG 4.49Å; L35-K70 HydrophobicContact CB-CD 4.49Å; L35-K70 PolarHBondContact O-NZ 2.7Å; L35-L71 HydrophobicContact CD1-CD2 4.24Å; L35-V74 HydrophobicContact CD1-CG2 4.15Å; L35-V74 HydrophobicContact CD2-CG2 3.98Å
36	G	97.2	Very high	98	Very high	70 Å²	70	56 Å²	56	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	18.7	-176.7	0	0	0	0	0	114	F32 K33 D34	F32-G36 PolarHBondContact O-N 3.45Å; K33-G36 WeakPolarHBondContact O-CA 3.42Å; K33-G36 PolarHBondContact O-N 3.08Å; D34-G36 VanDerWaalsContact C-N 3.25Å; D34-G36 PolarHBondContact O-N 3.27Å
37	E	97.8	Very high	98	Very high	52 Å²	52	54.7 Å²	54.7	24%	0.243	27%	0.273	C	S	.	.			trans	-100.2	157.6	-179.2	-71.2	-72	172.9	0	0	112.1	F32 L35 R41 L67	F32-E37 HydrophobicContact CB-CB 4.31Å; F32-E37 HydrophobicContact CD1-CB 3.93Å; F32-E37 HydrophobicContact CD1-CG 4.38Å; F32-E37 WeakPolarHBondContact O-CB 3.36Å; F32-E37 PolarHBondContact O-N 3.02Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 HydrophobicContact CB-CG 4.49Å; E37-R41 HydrophobicContact CB-CG 4.23Å; E37-R41 IonicContact OE2-NE 3.98Å; E37-L67 HydrophobicContact CG-CD1 3.68Å; E37-L67 HydrophobicContact CG-CD2 4.16Å
38	K	97.4	Very high	98	Very high	144 Å²	144	53.6 Å²	53.6	63%	0.626	27%	0.267	S	S	*	.			trans	-71.9	143.9	178.7	-69.1	178.7	175.6	-178.2	0	110.9	F40 R41	K38-F40 HydrophobicContact CB-CD1 3.59Å; K38-F40 HydrophobicContact CB-CE1 3.47Å; K38-F40 VanDerWaalsContact CB-CE1 3.47Å; K38-F40 HydrophobicContact CD-CD1 4.36Å; K38-F40 HydrophobicContact CD-CE1 3.67Å; K38-F40 HydrophobicContact CG-CE1 4.18Å; K38-F40 PolarHBondContact O-N 3.35Å; K38-R41 WeakPolarHBondContact O-CB 3.49Å; K38-R41 WeakPolarHBondContact O-CG 3.41Å; K38-R41 PolarHBondContact O-N 3.4Å
39	P	96.9	Very high	98	Very high	69 Å²	69	53.6 Å²	53.6	45%	0.448	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.9	-174.7	-29.1	35.1	0	0	0	115.9	R29 R41 A42	R29-P39 HydrophobicContact CG-CB 4.21Å; P39-R41 PolarHBondContact O-N 2.76Å; P39-R41 VanDerWaalsContact O-N 3.12Å; P39-A42 VanDerWaalsContact O-CB 3.26Å; P39-A42 WeakPolarHBondContact O-CB 3.46Å; P39-A42 PolarHBondContact O-N 2.98Å; P39-A42 VanDerWaalsContact O-N 3.08Å
40	F	97.8	Very high	98	Very high	95 Å²	95	49.5 Å²	49.5	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-15.1	179.4	77.6	-94.8	0	0	0	113.6	K38 A42 D43 Q44	K38-F40 HydrophobicContact CB-CD1 3.59Å; K38-F40 HydrophobicContact CB-CE1 3.47Å; K38-F40 VanDerWaalsContact CB-CE1 3.47Å; K38-F40 HydrophobicContact CD-CD1 4.36Å; K38-F40 HydrophobicContact CD-CE1 3.67Å; K38-F40 HydrophobicContact CG-CE1 4.18Å; K38-F40 PolarHBondContact O-N 3.35Å; F40-A42 PolarHBondContact O-N 3Å; F40-D43 WeakPolarHBondContact O-CB 3.49Å; F40-D43 PolarHBondContact O-N 3.2Å; F40-Q44 HydrophobicContact CD2-CG 4.35Å; F40-Q44 PolarHBondContact O-N 2.88Å; F40-Q44 VanDerWaalsContact O-N 3.12Å
41	R	98.2	Very high	98	Very high	39 Å²	39	47.1 Å²	47.1	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-33.1	172.3	-66.7	-55.2	-168.4	-175.6	-2.9	111.9	F32 E37 K38 P39 D43 Q44 V45 D62 L67	F32-R41 HydrophobicContact CD1-CB 3.51Å; F32-R41 HydrophobicContact CD1-CG 4.42Å; F32-R41 HydrophobicContact CD2-CB 4.49Å; F32-R41 HydrophobicContact CE1-CB 3.72Å; F32-R41 HydrophobicContact CG-CB 3.95Å; F32-R41 HydrophobicContact CZ-CB 4.34Å; E37-R41 HydrophobicContact CB-CG 4.23Å; E37-R41 IonicContact OE2-NE 3.98Å; K38-R41 WeakPolarHBondContact O-CB 3.49Å; K38-R41 WeakPolarHBondContact O-CG 3.41Å; K38-R41 PolarHBondContact O-N 3.4Å; P39-R41 PolarHBondContact O-N 2.76Å; P39-R41 VanDerWaalsContact O-N 3.12Å; R41-D43 VanDerWaalsContact C-N 3.35Å; R41-Q44 PolarHBondContact O-N 2.93Å; R41-V45 PolarHBondContact O-N 3.12Å; R41-D62 PolarHBondContact NH1-O 3.28Å; R41-L67 HydrophobicContact CB-CD2 4.38Å; R41-L67 HydrophobicContact CG-CD2 3.85Å
42	A	98.5	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.5	-50.2	171.1	0	0	0	0	0	110.7	M28 R29 F32 P39 F40 Q44 V45 M46	M28-A42 HydrophobicContact CB-CB 3.94Å; M28-A42 HydrophobicContact CG-CB 3.55Å; R29-A42 HydrophobicContact CG-CB 3.71Å; F32-A42 HydrophobicContact CD2-CB 3.8Å; F32-A42 HydrophobicContact CE2-CB 4.32Å; P39-A42 VanDerWaalsContact O-CB 3.26Å; P39-A42 WeakPolarHBondContact O-CB 3.46Å; P39-A42 PolarHBondContact O-N 2.98Å; P39-A42 VanDerWaalsContact O-N 3.08Å; F40-A42 PolarHBondContact O-N 3Å; A42-Q44 VanDerWaalsContact C-N 3.3Å; A42-Q44 PolarHBondContact O-N 3.27Å; A42-V45 PolarHBondContact O-N 3.33Å; A42-M46 WeakPolarHBondContact O-CB 3.21Å; A42-M46 VanDerWaalsContact O-CG 3.31Å; A42-M46 WeakPolarHBondContact O-CG 3.32Å; A42-M46 PolarHBondContact O-N 3.12Å
43	D	98.4	Very high	98	Very high	22 Å²	22	51.1 Å²	51.1	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-36.7	-178.3	-54.4	-3.6	0	0	0	111.5	R29 F40 R41 K47 F199	R29-D43 IonicContact CZ-OD1 3.66Å; R29-D43 IonicContact NE-OD1 3.12Å; R29-D43 PolarHBondContact NE-OD1 2.89Å; R29-D43 IonicContact NH2-OD1 3.27Å; R29-D43 PolarHBondContact NH2-OD1 3.26Å; R29-D43 VanDerWaalsContact NH2-OD1 3.12Å; R29-D43 IonicContact NH2-OD2 3.12Å; R29-D43 PolarHBondContact NH2-OD2 2.89Å; F40-D43 WeakPolarHBondContact O-CB 3.49Å; F40-D43 PolarHBondContact O-N 3.2Å; R41-D43 VanDerWaalsContact C-N 3.35Å; D43-K47 VanDerWaalsContact O-CG 3.31Å; D43-K47 WeakPolarHBondContact O-CG 3.37Å; D43-K47 PolarHBondContact O-N 2.79Å; D43-F199 HydrophobicContact CB-CD1 4.25Å; D43-F199 HydrophobicContact CB-CD2 3.76Å; D43-F199 HydrophobicContact CB-CE1 4.17Å; D43-F199 HydrophobicContact CB-CE2 3.66Å; D43-F199 HydrophobicContact CB-CG 4.05Å; D43-F199 HydrophobicContact CB-CZ 3.87Å; D43-F199 WeakPolarHBondContact OD2-CE2 3.3Å
44	Q	98.3	Very high	98	Very high	31 Å²	31	45.5 Å²	45.5	15%	0.145	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-49.4	174.7	-70.2	-174.2	-70.9	0	0	112.5	F40 R41 A42 M46 K47 W48 D62	F40-Q44 HydrophobicContact CD2-CG 4.35Å; F40-Q44 PolarHBondContact O-N 2.88Å; F40-Q44 VanDerWaalsContact O-N 3.12Å; R41-Q44 PolarHBondContact O-N 2.93Å; A42-Q44 VanDerWaalsContact C-N 3.3Å; A42-Q44 PolarHBondContact O-N 3.27Å; Q44-M46 VanDerWaalsContact C-N 3.35Å; Q44-M46 PolarHBondContact O-N 3.28Å; Q44-K47 WeakPolarHBondContact O-CB 3.45Å; Q44-K47 PolarHBondContact O-N 3.21Å; Q44-W48 VanDerWaalsContact O-CD1 3.29Å; Q44-W48 PolarHBondContact O-N 3.41Å; Q44-W48 VanDerWaalsContact O-N 3.16Å; Q44-D62 VanDerWaalsContact NE2-CG 3.26Å; Q44-D62 PolarHBondContact NE2-O 3.12Å; Q44-D62 PolarHBondContact NE2-OD2 2.73Å
45	V	98.6	Very high	98.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-40.6	-178.4	170.1	0	0	0	0	111	L20 F32 R41 A42 K47 W48 M49 M60 I63 L71	L20-V45 HydrophobicContact CD1-CG1 3.8Å; F32-V45 HydrophobicContact CE2-CB 4.32Å; F32-V45 HydrophobicContact CE2-CG2 4.32Å; F32-V45 HydrophobicContact CZ-CB 4.16Å; F32-V45 HydrophobicContact CZ-CG2 3.69Å; R41-V45 PolarHBondContact O-N 3.12Å; A42-V45 PolarHBondContact O-N 3.33Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 3.4Å; V45-W48 PolarHBondContact O-N 2.88Å; V45-M49 HydrophobicContact CG1-CG 4.26Å; V45-M49 HydrophobicContact CG1-SD 3.61Å; V45-M49 VanDerWaalsContact O-CG 3.28Å; V45-M49 WeakPolarHBondContact O-CG 3.31Å; V45-M49 PolarHBondContact O-N 3.21Å; V45-M60 HydrophobicContact CG1-CE 4.22Å; V45-M60 HydrophobicContact CG1-SD 4.32Å; V45-M60 HydrophobicContact CG2-SD 3.97Å; V45-I63 HydrophobicContact CG2-CD1 3.32Å; V45-L71 HydrophobicContact CG2-CD1 4.2Å
46	M	98.8	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-43.7	173.5	-73	-174.5	74.4	0	0	112	R25 M28 A42 Q44 W48 M49 Y50 F199	R25-M46 HydrophobicContact CB-CE 4.11Å; R25-M46 HydrophobicContact CB-SD 3.77Å; R25-M46 HydrophobicContact CG-SD 3.91Å; M28-M46 HydrophobicContact CE-CG 4.48Å; M28-M46 HydrophobicContact CG-CG 4.35Å; A42-M46 WeakPolarHBondContact O-CB 3.21Å; A42-M46 VanDerWaalsContact O-CG 3.31Å; A42-M46 WeakPolarHBondContact O-CG 3.32Å; A42-M46 PolarHBondContact O-N 3.12Å; Q44-M46 VanDerWaalsContact C-N 3.35Å; Q44-M46 PolarHBondContact O-N 3.28Å; M46-W48 PolarHBondContact O-N 3.42Å; M46-M49 PolarHBondContact O-N 2.81Å; M46-Y50 HydrophobicContact CB-CD2 4.08Å; M46-Y50 HydrophobicContact CB-CE2 4.22Å; M46-Y50 HydrophobicContact CE-CD2 4.3Å; M46-Y50 HydrophobicContact CE-CE2 3.91Å; M46-Y50 HydrophobicContact CG-CE2 4.16Å; M46-Y50 WeakPolarHBondContact O-CD2 3.46Å; M46-Y50 PolarHBondContact O-N 2.85Å; M46-F199 CarbonylContact C-O 3.45Å; M46-F199 VanDerWaalsContact C-O 3.24Å; M46-F199 HydrophobicContact CB-CB 3.9Å
47	K	98.5	Very high	98.2	Very high	89 Å²	89	40.7 Å²	40.7	39%	0.387	19%	0.189	S	C	.	.	H	α-helix	trans	-57.3	-46.9	174.9	-75.9	173.9	-178.6	-179.4	0	111.9	D43 Q44 V45 H51 F199	D43-K47 VanDerWaalsContact O-CG 3.31Å; D43-K47 WeakPolarHBondContact O-CG 3.37Å; D43-K47 PolarHBondContact O-N 2.79Å; Q44-K47 WeakPolarHBondContact O-CB 3.45Å; Q44-K47 PolarHBondContact O-N 3.21Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 3.4Å; K47-H51 WeakPolarHBondContact O-CA 3.14Å; K47-H51 WeakPolarHBondContact O-CB 3.42Å; K47-H51 PolarHBondContact O-N 3.25Å; K47-F199 HydrophobicContact CD-CD1 4.15Å; K47-F199 HydrophobicContact CG-CB 4.46Å; K47-F199 HydrophobicContact CG-CD1 3.88Å
48	W	98.6	Very high	98.3	Very high	39 Å²	39	41.8 Å²	41.8	15%	0.148	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-48.3	175.5	-79.2	105.5	0	0	0	111.7	Q44 V45 M46 Y50 Y52 C53 C54 E59 M60 T61 D62	Q44-W48 VanDerWaalsContact O-CD1 3.29Å; Q44-W48 PolarHBondContact O-N 3.41Å; Q44-W48 VanDerWaalsContact O-N 3.16Å; V45-W48 PolarHBondContact O-N 2.88Å; M46-W48 PolarHBondContact O-N 3.42Å; W48-Y50 PolarHBondContact O-N 2.75Å; W48-Y52 HydrophobicContact CE3-CD2 4.2Å; W48-Y52 HydrophobicContact CE3-CG 4.19Å; W48-Y52 HydrophobicContact CZ3-CG 4.39Å; W48-Y52 WeakPolarHBondContact O-CB 3.43Å; W48-Y52 PolarHBondContact O-N 3.41Å; W48-C53 PolarHBondContact O-N 2.94Å; W48-C54 HydrophobicContact CB-CB 4.16Å; W48-C54 HydrophobicContact CE3-CB 4.19Å; W48-C54 WeakPolarHBondContact O-CB 3.31Å; W48-C54 PolarHBondContact O-N 2.69Å; W48-E59 WeakPolarHBondContact CH2-O 3.5Å; W48-E59 WeakPolarHBondContact CZ3-O 3.33Å; W48-M60 HydrophobicContact CB-CE 3.85Å; W48-M60 HydrophobicContact CB-CG 3.89Å; W48-M60 HydrophobicContact CB-SD 4.02Å; W48-M60 HydrophobicContact CD2-CB 4.18Å; W48-M60 HydrophobicContact CD2-CG 3.96Å; W48-M60 HydrophobicContact CG-CB 4.05Å; W48-M60 HydrophobicContact CG-CG 3.59Å; W48-M60 HydrophobicContact CG-SD 4.16Å; W48-T61 WeakPolarHBondContact CZ2-OG1 3.27Å; W48-D62 PolarHBondContact NE1-OD1 3.18Å
49	M	98.6	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-50.6	179.8	-72.1	165.5	63.2	0	0	111.9	L20 L21 M28 V45 M46 C53 I77 W153	L20-M49 HydrophobicContact CB-CE 3.68Å; L20-M49 HydrophobicContact CB-SD 3.92Å; L20-M49 HydrophobicContact CD1-SD 4.17Å; L21-M49 HydrophobicContact CD2-CE 3.73Å; L21-M49 HydrophobicContact CG-CE 4.23Å; M28-M49 HydrophobicContact CE-CE 4.37Å; M28-M49 HydrophobicContact CE-SD 4.36Å; V45-M49 HydrophobicContact CG1-CG 4.26Å; V45-M49 HydrophobicContact CG1-SD 3.61Å; V45-M49 VanDerWaalsContact O-CG 3.28Å; V45-M49 WeakPolarHBondContact O-CG 3.31Å; V45-M49 PolarHBondContact O-N 3.21Å; M46-M49 PolarHBondContact O-N 2.81Å; M49-C53 WeakPolarHBondContact O-CA 3.43Å; M49-C53 PolarHBondContact O-N 2.97Å; M49-I77 HydrophobicContact CE-CG1 4.41Å; M49-I77 HydrophobicContact CG-CD1 3.58Å; M49-I77 HydrophobicContact CG-CG1 4.08Å; M49-I77 HydrophobicContact CG-CG2 4.42Å; M49-I77 HydrophobicContact SD-CD1 4.16Å; M49-I77 HydrophobicContact SD-CG1 4.21Å; M49-W153 VanDerWaalsContact O-CD1 3.3Å; M49-W153 PolarHBondContact O-NE1 2.8Å
50	Y	98.6	Very high	98.3	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	17%	0.167	C	C	.	.	H	α-helix	trans	-103.5	-31.4	-165.7	-57.8	-65.8	0	0	0	114.1	L21 M46 W48 I149 I194 F201	L21-Y50 HydrophobicContact CD2-CE1 3.73Å; M46-Y50 HydrophobicContact CB-CD2 4.08Å; M46-Y50 HydrophobicContact CB-CE2 4.22Å; M46-Y50 HydrophobicContact CE-CD2 4.3Å; M46-Y50 HydrophobicContact CE-CE2 3.91Å; M46-Y50 HydrophobicContact CG-CE2 4.16Å; M46-Y50 WeakPolarHBondContact O-CD2 3.46Å; M46-Y50 PolarHBondContact O-N 2.85Å; W48-Y50 PolarHBondContact O-N 2.75Å; Y50-I149 HydrophobicContact CE1-CG1 4.19Å; Y50-I194 HydrophobicContact CD1-CG2 4.18Å; Y50-I194 HydrophobicContact CD2-CG2 4.24Å; Y50-I194 HydrophobicContact CE1-CG2 3.68Å; Y50-I194 HydrophobicContact CE2-CG2 3.75Å; Y50-I194 HydrophobicContact CG-CG2 4.44Å; Y50-I194 VanDerWaalsContact CZ-CG2 3.44Å; Y50-F201 HydrophobicContact CD1-CD2 4.35Å; Y50-F201 AromaticContact CD1-CE2 3.66Å; Y50-F201 HydrophobicContact CD1-CE2 3.66Å; Y50-F201 AromaticContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CE1-CE2 4.25Å; Y50-F201 HydrophobicContact CG-CE2 4.48Å
51	H	98.3	Very high	98.3	Very high	38 Å²	38	37 Å²	37	18%	0.176	18%	0.18	C	C	.	.	H	α-helix	trans	-82.6	-29.7	178.7	-61.2	-170	0	0	0	112	K47 A162 K163 D198 G200	K47-H51 WeakPolarHBondContact O-CA 3.14Å; K47-H51 WeakPolarHBondContact O-CB 3.42Å; K47-H51 PolarHBondContact O-N 3.25Å; H51-A162 PolarHBondContact O-N 3.15Å; H51-K163 HydrophobicContact CB-CG 3.81Å; H51-K163 PolarHBondContact O-N 3.47Å; H51-K163 VanDerWaalsContact O-N 3.08Å; H51-D198 PolarHBondContact CE1-O 2.85Å; H51-D198 VanDerWaalsContact CE1-O 3.27Å; H51-D198 PolarHBondContact NE2-O 3.43Å; H51-G200 PolarHBondContact CD2-O 2.98Å; H51-G200 PolarHBondContact NE2-O 3.25Å; H51-G200 VanDerWaalsContact NE2-O 3.08Å
52	Y	98.2	Very high	98.2	Very high	99 Å²	99	38.9 Å²	38.9	39%	0.388	19%	0.192	S	C	.	.	S	Bend	trans	-111.7	-6.4	-178.6	-62.6	-93.5	0	0	0	113.7	W48 C54 K163	W48-Y52 HydrophobicContact CE3-CD2 4.2Å; W48-Y52 HydrophobicContact CE3-CG 4.19Å; W48-Y52 HydrophobicContact CZ3-CG 4.39Å; W48-Y52 WeakPolarHBondContact O-CB 3.43Å; W48-Y52 PolarHBondContact O-N 3.41Å; Y52-C54 PolarHBondContact O-N 2.95Å; Y52-K163 HydrophobicContact CD1-CB 3.7Å; Y52-K163 HydrophobicContact CD2-CB 4.3Å; Y52-K163 HydrophobicContact CE1-CB 3.32Å; Y52-K163 HydrophobicContact CE1-CG 4.2Å; Y52-K163 HydrophobicContact CE2-CB 3.97Å; Y52-K163 HydrophobicContact CE2-CG 4Å; Y52-K163 HydrophobicContact CG-CB 4.17Å; Y52-K163 VanDerWaalsContact CZ-CB 3.47Å
53	C	98.3	Very high	98.2	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.02	19%	0.194	C	C	.	.			trans	54.8	39.8	-172.7	-66.4	0	0	0	0	112.4	W48 M49 W153 K157 A161	W48-C53 PolarHBondContact O-N 2.94Å; M49-C53 WeakPolarHBondContact O-CA 3.43Å; M49-C53 PolarHBondContact O-N 2.97Å; C53-W153 HydrophobicContact CB-CZ2 4.31Å; C53-W153 WeakPolarHBondContact O-CZ2 3.36Å; C53-K157 HydrophobicContact CB-CB 3.72Å; C53-K157 HydrophobicContact CB-CD 4.11Å; C53-K157 HydrophobicContact CB-CG 3.86Å; C53-K157 PolarHBondContact O-NZ 2.64Å; C53-K157 PolarHBondContact SG-N 2.7Å; C53-A161 HydrophobicContact CB-CB 4.03Å
54	C	98.4	Very high	98.1	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	21%	0.205	C	C	.	.			trans	-85.4	125.5	-179.8	-176	0	0	0	0	110.8	W48 Y52 N56 E59	W48-C54 HydrophobicContact CB-CB 4.16Å; W48-C54 HydrophobicContact CE3-CB 4.19Å; W48-C54 WeakPolarHBondContact O-CB 3.31Å; W48-C54 PolarHBondContact O-N 2.69Å; Y52-C54 PolarHBondContact O-N 2.95Å; C54-N56 PolarHBondContact SG-O 2.69Å; C54-E59 PolarHBondContact SG-OE2 3.34Å; C54-E59 VanDerWaalsContact SG-OE2 3.4Å
55	D	98.1	Very high	98.1	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.332	24%	0.235	S	C	.	.			trans	-111.9	4.8	175.5	46.2	-4.8	0	0	0	112.6	I77 W153 K157	D55-I77 HydrophobicContact CB-CB 4.24Å; D55-I77 HydrophobicContact CB-CG2 4Å; D55-W153 HydrophobicContact CB-CH2 3.83Å; D55-W153 HydrophobicContact CB-CZ2 3.79Å; D55-W153 WeakPolarHBondContact OD2-CH2 3.49Å; D55-K157 IonicContact OD1-NZ 3.24Å; D55-K157 PolarHBondContact OD1-NZ 3.03Å; D55-K157 IonicContact OD2-NZ 3.48Å; D55-K157 PolarHBondContact OD2-NZ 2.69Å
56	N	98.3	Very high	98	Very high	56 Å²	56	54.1 Å²	54.1	30%	0.299	27%	0.27	S	S	.	.			trans	-124	112.4	-175.2	179.3	8.4	0	0	0	111.7	C54 D58 E59	C54-N56 PolarHBondContact SG-O 2.69Å; N56-D58 PolarHBondContact O-N 3.08Å; N56-D58 WeakPolarHBondContact OD1-CB 3.11Å; N56-D58 PolarHBondContact OD1-N 3.22Å; N56-E59 HydrophobicContact CB-CG 4.31Å; N56-E59 WeakPolarHBondContact CB-OE1 3.49Å; N56-E59 PolarHBondContact ND2-OE1 3.12Å; N56-E59 PolarHBondContact O-N 3.05Å; N56-E59 VanDerWaalsContact O-N 3.08Å
57	F	98.4	Very high	97.9	Very high	10 Å²	10	54.1 Å²	54.1	4%	0.044	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57.3	-25.4	179.7	-60.4	-60.3	0	0	0	113.7	L20 E59 M60 R68 L71 K72 A75 I77	L20-F57 HydrophobicContact CD1-CE1 3.67Å; L20-F57 HydrophobicContact CD1-CZ 3.76Å; L20-F57 HydrophobicContact CG-CZ 4.48Å; F57-E59 PolarHBondContact O-N 3.31Å; F57-M60 HydrophobicContact CD1-CE 3.62Å; F57-M60 HydrophobicContact CD1-SD 3.88Å; F57-M60 HydrophobicContact CE1-CE 4.08Å; F57-M60 WeakPolarHBondContact O-CB 2.97Å; F57-M60 PolarHBondContact O-N 3.12Å; F57-R68 HydrophobicContact CB-CG 3.86Å; F57-R68 WeakPolarHBondContact O-CD 3.46Å; F57-R68 VanDerWaalsContact O-CG 3.23Å; F57-R68 WeakPolarHBondContact O-CG 3.32Å; F57-R68 PolarHBondContact O-NE 3.27Å; F57-L71 HydrophobicContact CD1-CB 3.98Å; F57-L71 HydrophobicContact CD1-CD1 3.93Å; F57-L71 HydrophobicContact CD2-CB 4.03Å; F57-L71 HydrophobicContact CE1-CB 4.02Å; F57-L71 HydrophobicContact CE1-CD1 4.1Å; F57-L71 HydrophobicContact CE2-CB 4.05Å; F57-L71 HydrophobicContact CG-CB 4.01Å; F57-L71 HydrophobicContact CZ-CB 4.05Å; F57-K72 HydrophobicContact CB-CG 4.22Å; F57-K72 HydrophobicContact CD2-CG 3.83Å; F57-K72 HydrophobicContact CG-CG 4.49Å; F57-A75 HydrophobicContact CZ-CB 4.24Å; F57-I77 HydrophobicContact CD1-CD1 4.24Å; F57-I77 HydrophobicContact CE1-CD1 3.67Å; F57-I77 HydrophobicContact CE1-CG1 4.16Å; F57-I77 HydrophobicContact CZ-CD1 4.09Å; F57-I77 HydrophobicContact CZ-CG1 4.12Å
58	D	98.4	Very high	97.9	Very high	75 Å²	75	51.8 Å²	51.8	40%	0.401	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-61.8	-28.2	176.4	-72.9	-37.8	0	0	0	115.3	N56 M60 R68 K72	N56-D58 PolarHBondContact O-N 3.08Å; N56-D58 WeakPolarHBondContact OD1-CB 3.11Å; N56-D58 PolarHBondContact OD1-N 3.22Å; D58-M60 VanDerWaalsContact C-N 3.28Å; D58-M60 PolarHBondContact O-N 3.49Å; D58-R68 VanDerWaalsContact O-CZ 3.25Å; D58-R68 PolarHBondContact O-NH1 3.06Å; D58-R68 VanDerWaalsContact O-NH1 3.12Å; D58-R68 WeakPolarHBondContact OD1-CD 3.46Å; D58-K72 VanDerWaalsContact CG-CE 3.46Å; D58-K72 WeakPolarHBondContact OD1-CE 3.48Å; D58-K72 IonicContact OD1-NZ 3.99Å; D58-K72 PolarHBondContact OD1-NZ 3.22Å; D58-K72 VanDerWaalsContact OD2-CE 3.32Å; D58-K72 WeakPolarHBondContact OD2-CE 3.44Å; D58-K72 IonicContact OD2-NZ 3Å; D58-K72 PolarHBondContact OD2-NZ 3.28Å
59	E	97.9	Very high	97.9	Very high	94 Å²	94	51.2 Å²	51.2	44%	0.439	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-81.3	-11.9	-178.3	-67.2	163.4	-154.6	0	0	112.1	W48 C54 N56 F57 T61	W48-E59 WeakPolarHBondContact CH2-O 3.5Å; W48-E59 WeakPolarHBondContact CZ3-O 3.33Å; C54-E59 PolarHBondContact SG-OE2 3.34Å; C54-E59 VanDerWaalsContact SG-OE2 3.4Å; N56-E59 HydrophobicContact CB-CG 4.31Å; N56-E59 WeakPolarHBondContact CB-OE1 3.49Å; N56-E59 PolarHBondContact ND2-OE1 3.12Å; N56-E59 PolarHBondContact O-N 3.05Å; N56-E59 VanDerWaalsContact O-N 3.08Å; F57-E59 PolarHBondContact O-N 3.31Å; E59-T61 VanDerWaalsContact C-N 3.32Å; E59-T61 WeakPolarHBondContact O-CG2 3.34Å; E59-T61 PolarHBondContact O-N 2.89Å
60	M	98.3	Very high	97.8	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.282	C	S	.	.			trans	-78	77.7	-177.1	-55.1	-172	-176.5	0	0	111.6	V45 W48 F57 D58 D62 I63 R68 I77	V45-M60 HydrophobicContact CG1-CE 4.22Å; V45-M60 HydrophobicContact CG1-SD 4.32Å; V45-M60 HydrophobicContact CG2-SD 3.97Å; W48-M60 HydrophobicContact CB-CE 3.85Å; W48-M60 HydrophobicContact CB-CG 3.89Å; W48-M60 HydrophobicContact CB-SD 4.02Å; W48-M60 HydrophobicContact CD2-CB 4.18Å; W48-M60 HydrophobicContact CD2-CG 3.96Å; W48-M60 HydrophobicContact CG-CB 4.05Å; W48-M60 HydrophobicContact CG-CG 3.59Å; W48-M60 HydrophobicContact CG-SD 4.16Å; F57-M60 HydrophobicContact CD1-CE 3.62Å; F57-M60 HydrophobicContact CD1-SD 3.88Å; F57-M60 HydrophobicContact CE1-CE 4.08Å; F57-M60 WeakPolarHBondContact O-CB 2.97Å; F57-M60 PolarHBondContact O-N 3.12Å; D58-M60 VanDerWaalsContact C-N 3.28Å; D58-M60 PolarHBondContact O-N 3.49Å; M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 2.95Å; M60-I63 HydrophobicContact CB-CB 4.3Å; M60-I63 HydrophobicContact CB-CD1 3.84Å; M60-I63 HydrophobicContact CB-CG1 4.13Å; M60-I63 HydrophobicContact CG-CD1 4.43Å; M60-I63 PolarHBondContact O-N 3.42Å; M60-I63 VanDerWaalsContact O-N 3.12Å; M60-I63 HydrophobicContact SD-CD1 3.75Å; M60-R68 PolarHBondContact O-NH2 2.86Å; M60-I77 HydrophobicContact CE-CD1 3.67Å
61	T	97.2	Very high	97.8	Very high	113 Å²	113	54.6 Å²	54.6	69%	0.693	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.4	-167.9	57.1	0	0	0	0	115.1	W48 E59 I63	W48-T61 WeakPolarHBondContact CZ2-OG1 3.27Å; E59-T61 VanDerWaalsContact C-N 3.32Å; E59-T61 WeakPolarHBondContact O-CG2 3.34Å; E59-T61 PolarHBondContact O-N 2.89Å; T61-I63 VanDerWaalsContact C-N 3.33Å
62	D	96.2	Very high	97.7	Very high	77 Å²	77	56.6 Å²	56.6	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	9.5	178	70.7	-17	0	0	0	113.6	R41 Q44 W48 M60	R41-D62 PolarHBondContact NH1-O 3.28Å; Q44-D62 VanDerWaalsContact NE2-CG 3.26Å; Q44-D62 PolarHBondContact NE2-O 3.12Å; Q44-D62 PolarHBondContact NE2-OD2 2.73Å; W48-D62 PolarHBondContact NE1-OD1 3.18Å; M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 2.95Å
63	I	97.1	Very high	97.6	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	30%	0.303	C	S	.	.	S	Bend	trans	-110.1	130	173.2	-59.9	-176.4	0	0	0	109.3	V45 M60 T61 L67 R68	V45-I63 HydrophobicContact CG2-CD1 3.32Å; M60-I63 HydrophobicContact CB-CB 4.3Å; M60-I63 HydrophobicContact CB-CD1 3.84Å; M60-I63 HydrophobicContact CB-CG1 4.13Å; M60-I63 HydrophobicContact CG-CD1 4.43Å; M60-I63 PolarHBondContact O-N 3.42Å; M60-I63 VanDerWaalsContact O-N 3.12Å; M60-I63 HydrophobicContact SD-CD1 3.75Å; T61-I63 VanDerWaalsContact C-N 3.33Å; I63-L67 HydrophobicContact CG2-CB 3.9Å; I63-L67 HydrophobicContact CG2-CD2 3.87Å; I63-L67 HydrophobicContact CG2-CG 3.81Å; I63-R68 HydrophobicContact CG2-CB 4.34Å; I63-R68 PolarHBondContact O-NH2 2.84Å
64	N	97.1	Very high	97.6	Very high	68 Å²	68	61 Å²	61	36%	0.364	32%	0.316	S	S	.	.			trans	-64.2	152.5	-179.9	74.7	67	0	0	0	111.2	V66 L67 R68	N64-V66 PolarHBondContact O-N 3.24Å; N64-V66 WeakPolarHBondContact OD1-CB 3.22Å; N64-V66 PolarHBondContact OD1-N 3.49Å; N64-V66 VanDerWaalsContact OD1-N 3.07Å; N64-L67 PolarHBondContact O-N 2.9Å; N64-L67 PolarHBondContact OD1-N 2.87Å; N64-R68 WeakPolarHBondContact O-CB 3.48Å; N64-R68 PolarHBondContact O-N 2.96Å; N64-R68 VanDerWaalsContact O-N 3.07Å
65	K	97.4	Very high	97.6	Very high	179 Å²	179	61 Å²	61	78%	0.778	32%	0.316	S	S	*	.	H	α-helix	trans	-58.6	-32.9	-174.6	-67	-177.7	179	179.9	0	113.6	G69	K65-G69 PolarHBondContact O-N 2.77Å
66	V	97.5	Very high	97.6	Very high	121 Å²	121	59.1 Å²	59.1	73%	0.733	31%	0.305	S	S	*	.	H	α-helix	trans	-67.5	-51.7	-179.1	178.6	0	0	0	0	110.4	N64 R68 G69 K70	N64-V66 PolarHBondContact O-N 3.24Å; N64-V66 WeakPolarHBondContact OD1-CB 3.22Å; N64-V66 PolarHBondContact OD1-N 3.49Å; N64-V66 VanDerWaalsContact OD1-N 3.07Å; V66-R68 VanDerWaalsContact C-N 3.31Å; V66-R68 PolarHBondContact O-N 3.21Å; V66-G69 PolarHBondContact O-N 3.16Å; V66-K70 PolarHBondContact O-N 3.4Å
67	L	97.5	Very high	97.6	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-41.4	178.1	176.4	52.9	0	0	0	111.4	F32 E37 R41 I63 N64 G69 K70 L71	F32-L67 HydrophobicContact CE1-CD1 4.24Å; F32-L67 HydrophobicContact CE1-CD2 4.38Å; E37-L67 HydrophobicContact CG-CD1 3.68Å; E37-L67 HydrophobicContact CG-CD2 4.16Å; R41-L67 HydrophobicContact CB-CD2 4.38Å; R41-L67 HydrophobicContact CG-CD2 3.85Å; I63-L67 HydrophobicContact CG2-CB 3.9Å; I63-L67 HydrophobicContact CG2-CD2 3.87Å; I63-L67 HydrophobicContact CG2-CG 3.81Å; N64-L67 PolarHBondContact O-N 2.9Å; N64-L67 PolarHBondContact OD1-N 2.87Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.24Å; L67-K70 WeakPolarHBondContact O-CB 3.32Å; L67-K70 PolarHBondContact O-N 3.46Å; L67-L71 HydrophobicContact CD1-CG 4.23Å; L67-L71 HydrophobicContact CG-CD1 4.39Å; L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 3.12Å
68	R	97.9	Very high	97.6	Very high	39 Å²	39	62.7 Å²	62.7	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-59.1	-43.8	175.6	-175.8	-169.1	-73.6	168.5	11.7	112.6	F57 D58 M60 I63 N64 V66 L71 K72	F57-R68 HydrophobicContact CB-CG 3.86Å; F57-R68 WeakPolarHBondContact O-CD 3.46Å; F57-R68 VanDerWaalsContact O-CG 3.23Å; F57-R68 WeakPolarHBondContact O-CG 3.32Å; F57-R68 PolarHBondContact O-NE 3.27Å; D58-R68 VanDerWaalsContact O-CZ 3.25Å; D58-R68 PolarHBondContact O-NH1 3.06Å; D58-R68 VanDerWaalsContact O-NH1 3.12Å; D58-R68 WeakPolarHBondContact OD1-CD 3.46Å; M60-R68 PolarHBondContact O-NH2 2.86Å; I63-R68 HydrophobicContact CG2-CB 4.34Å; I63-R68 PolarHBondContact O-NH2 2.84Å; N64-R68 WeakPolarHBondContact O-CB 3.48Å; N64-R68 PolarHBondContact O-N 2.96Å; N64-R68 VanDerWaalsContact O-N 3.07Å; V66-R68 VanDerWaalsContact C-N 3.31Å; V66-R68 PolarHBondContact O-N 3.21Å; R68-L71 PolarHBondContact O-N 3.49Å; R68-K72 PolarHBondContact O-N 3.13Å
69	G	97.5	Very high	97.5	Very high	28 Å²	28	59.4 Å²	59.4	29%	0.289	30%	0.298	S	S	.	.	H	α-helix	trans	-58.6	-49	174.1	0	0	0	0	0	111.5	K65 V66 L67 L71 K72 E73	K65-G69 PolarHBondContact O-N 2.77Å; V66-G69 PolarHBondContact O-N 3.16Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.24Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-L71 PolarHBondContact O-N 3.42Å; G69-K72 WeakPolarHBondContact O-CB 3.42Å; G69-K72 PolarHBondContact O-N 2.95Å; G69-K72 VanDerWaalsContact O-N 3.13Å; G69-E73 PolarHBondContact O-N 3.02Å
70	K	96.8	Very high	97.5	Very high	76 Å²	76	55.7 Å²	55.7	33%	0.33	28%	0.282	S	S	.	.	H	α-helix	trans	-56.6	-44.6	177.1	-170.7	173.1	-174.1	174.4	0	112.4	L35 V66 L67 K72 E73 V74	L35-K70 HydrophobicContact CB-CD 4.49Å; L35-K70 PolarHBondContact O-NZ 2.7Å; V66-K70 PolarHBondContact O-N 3.4Å; L67-K70 WeakPolarHBondContact O-CB 3.32Å; L67-K70 PolarHBondContact O-N 3.46Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.48Å; K70-E73 WeakPolarHBondContact O-CB 3.5Å; K70-E73 PolarHBondContact O-N 3.47Å; K70-E73 VanDerWaalsContact O-N 3.1Å; K70-V74 WeakPolarHBondContact O-CG2 3.45Å; K70-V74 PolarHBondContact O-N 3.19Å
71	L	98	Very high	97.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-39.3	178.1	-72.6	172.4	0	0	0	112.5	F31 F32 L35 V45 F57 L67 R68 G69 E73 V74 A75	F31-L71 HydrophobicContact CE1-CD2 3.95Å; F31-L71 HydrophobicContact CZ-CD2 4.36Å; F32-L71 HydrophobicContact CE1-CD1 4.4Å; F32-L71 HydrophobicContact CE1-CD2 3.95Å; F32-L71 HydrophobicContact CZ-CD1 4.31Å; F32-L71 HydrophobicContact CZ-CD2 3.87Å; L35-L71 HydrophobicContact CD1-CD2 4.24Å; V45-L71 HydrophobicContact CG2-CD1 4.2Å; F57-L71 HydrophobicContact CD1-CB 3.98Å; F57-L71 HydrophobicContact CD1-CD1 3.93Å; F57-L71 HydrophobicContact CD2-CB 4.03Å; F57-L71 HydrophobicContact CE1-CB 4.02Å; F57-L71 HydrophobicContact CE1-CD1 4.1Å; F57-L71 HydrophobicContact CE2-CB 4.05Å; F57-L71 HydrophobicContact CG-CB 4.01Å; F57-L71 HydrophobicContact CZ-CB 4.05Å; L67-L71 HydrophobicContact CD1-CG 4.23Å; L67-L71 HydrophobicContact CG-CD1 4.39Å; L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 3.12Å; R68-L71 PolarHBondContact O-N 3.49Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-L71 PolarHBondContact O-N 3.42Å; L71-E73 PolarHBondContact O-N 3.31Å; L71-V74 PolarHBondContact O-N 2.85Å; L71-A75 CarbonylContact O-C 3.53Å; L71-A75 WeakPolarHBondContact O-CA 3.26Å; L71-A75 WeakPolarHBondContact O-CB 3.29Å; L71-A75 PolarHBondContact O-N 3Å
72	K	97.2	Very high	97.6	Very high	80 Å²	80	59 Å²	59	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-28.5	176.4	-68.8	176.3	177.7	-172.9	0	113.4	K17 F57 D58 R68 G69 K70	K17-K72 WeakPolarHBondContact CE-O 3.42Å; K17-K72 PolarHBondContact NZ-O 3.04Å; F57-K72 HydrophobicContact CB-CG 4.22Å; F57-K72 HydrophobicContact CD2-CG 3.83Å; F57-K72 HydrophobicContact CG-CG 4.49Å; D58-K72 VanDerWaalsContact CG-CE 3.46Å; D58-K72 WeakPolarHBondContact OD1-CE 3.48Å; D58-K72 IonicContact OD1-NZ 3.99Å; D58-K72 PolarHBondContact OD1-NZ 3.22Å; D58-K72 VanDerWaalsContact OD2-CE 3.32Å; D58-K72 WeakPolarHBondContact OD2-CE 3.44Å; D58-K72 IonicContact OD2-NZ 3Å; D58-K72 PolarHBondContact OD2-NZ 3.28Å; R68-K72 PolarHBondContact O-N 3.13Å; G69-K72 WeakPolarHBondContact O-CB 3.42Å; G69-K72 PolarHBondContact O-N 2.95Å; G69-K72 VanDerWaalsContact O-N 3.13Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.48Å
73	E	96.6	Very high	97.6	Very high	146 Å²	146	58.6 Å²	58.6	68%	0.682	29%	0.293	S	S	*	.	H	α-helix	trans	-76.1	-46.7	178.8	-67	174.8	-177.7	0	0	111.2	G69 K70 L71	G69-E73 PolarHBondContact O-N 3.02Å; K70-E73 WeakPolarHBondContact O-CB 3.5Å; K70-E73 PolarHBondContact O-N 3.47Å; K70-E73 VanDerWaalsContact O-N 3.1Å; L71-E73 PolarHBondContact O-N 3.31Å
74	V	97.2	Very high	97.6	Very high	48 Å²	48	62.3 Å²	62.3	29%	0.291	31%	0.31	S	S	.	.	H	α-helix	trans	-100.7	-16.9	-169.7	-57.2	0	0	0	0	115	K17 I18 F31 L35 K70 L71	K17-V74 WeakPolarHBondContact CA-O 3.46Å; I18-V74 PolarHBondContact N-O 3.39Å; F31-V74 HydrophobicContact CE2-CG2 4.3Å; F31-V74 HydrophobicContact CZ-CG2 3.9Å; L35-V74 HydrophobicContact CD1-CG2 4.15Å; L35-V74 HydrophobicContact CD2-CG2 3.98Å; K70-V74 WeakPolarHBondContact O-CG2 3.45Å; K70-V74 PolarHBondContact O-N 3.19Å; L71-V74 PolarHBondContact O-N 2.85Å
75	A	98.2	Very high	97.7	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	168.2	-171.3	0	0	0	0	0	113.2	I18 L20 F31 F57 L71	I18-A75 CarbonylContact O-C 3.55Å; I18-A75 WeakPolarHBondContact O-CA 3.43Å; I18-A75 WeakPolarHBondContact O-CB 3.47Å; L20-A75 HydrophobicContact CD1-CB 4.45Å; L20-A75 HydrophobicContact CD2-CB 3.79Å; L20-A75 HydrophobicContact CG-CB 4.05Å; F31-A75 HydrophobicContact CE1-CB 4.43Å; F31-A75 HydrophobicContact CZ-CB 3.84Å; F57-A75 HydrophobicContact CZ-CB 4.24Å; L71-A75 CarbonylContact O-C 3.53Å; L71-A75 WeakPolarHBondContact O-CA 3.26Å; L71-A75 WeakPolarHBondContact O-CB 3.29Å; L71-A75 PolarHBondContact O-N 3Å
76	E	98.4	Very high	97.7	Very high	23 Å²	23	57.3 Å²	57.3	11%	0.107	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.4	174	60.3	174.2	-143.8	0	0	111.3	T13 K17 I18 N19 L20 R78	T13-E76 HydrophobicContact CG2-CG 4.24Å; T13-E76 WeakPolarHBondContact CG2-OE1 3.46Å; K17-E76 HydrophobicContact CB-CG 4.17Å; K17-E76 HydrophobicContact CD-CB 4.46Å; I18-E76 PolarHBondContact O-N 3.2Å; N19-E76 WeakPolarHBondContact CA-O 3.4Å; N19-E76 HydrophobicContact CB-CG 4.45Å; N19-E76 PolarHBondContact OD1-O 3.45Å; L20-E76 PolarHBondContact N-O 2.97Å; E76-R78 HydrophobicContact CG-CB 4.47Å; E76-R78 WeakPolarHBondContact OE1-CB 3.43Å; E76-R78 IonicContact OE1-CZ 3.57Å; E76-R78 VanDerWaalsContact OE1-CZ 3.24Å; E76-R78 IonicContact OE1-NE 3.04Å; E76-R78 PolarHBondContact OE1-NE 3.39Å; E76-R78 IonicContact OE1-NH2 2.7Å; E76-R78 PolarHBondContact OE1-NH2 3.18Å; E76-R78 IonicContact OE2-CZ 2.73Å; E76-R78 IonicContact OE2-NE 3.91Å; E76-R78 PolarHBondContact OE2-NE 3.04Å; E76-R78 IonicContact OE2-NH2 2.64Å; E76-R78 PolarHBondContact OE2-NH2 3.49Å
77	I	98.4	Very high	97.7	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.072	28%	0.279	C	S	.	.			trans	-121.6	94	172.8	-61.4	158.4	0	0	0	106.5	L20 L21 M49 D55 F57 M60	L20-I77 HydrophobicContact CB-CG1 4.15Å; L20-I77 HydrophobicContact CD1-CG1 4.14Å; L20-I77 HydrophobicContact CG-CG1 4.4Å; L21-I77 HydrophobicContact CD1-CG2 4.16Å; L21-I77 HydrophobicContact CD2-CG2 4.37Å; L21-I77 HydrophobicContact CG-CG2 4.05Å; M49-I77 HydrophobicContact CE-CG1 4.41Å; M49-I77 HydrophobicContact CG-CD1 3.58Å; M49-I77 HydrophobicContact CG-CG1 4.08Å; M49-I77 HydrophobicContact CG-CG2 4.42Å; M49-I77 HydrophobicContact SD-CD1 4.16Å; M49-I77 HydrophobicContact SD-CG1 4.21Å; D55-I77 HydrophobicContact CB-CB 4.24Å; D55-I77 HydrophobicContact CB-CG2 4Å; F57-I77 HydrophobicContact CD1-CD1 4.24Å; F57-I77 HydrophobicContact CE1-CD1 3.67Å; F57-I77 HydrophobicContact CE1-CG1 4.16Å; F57-I77 HydrophobicContact CZ-CD1 4.09Å; F57-I77 HydrophobicContact CZ-CG1 4.12Å; M60-I77 HydrophobicContact CE-CD1 3.67Å
78	R	98.1	Very high	97.7	Very high	128 Å²	128	59.1 Å²	59.1	48%	0.483	28%	0.282	S	S	.	.			trans	-118.8	95.3	-174	-167.7	-174.5	-57.5	-153.2	3	110.5	D15 N19 E76	D15-R78 IonicContact OD2-NH2 3.84Å; N19-R78 PolarHBondContact ND2-O 3.34Å; N19-R78 PolarHBondContact OD1-N 3.02Å; E76-R78 HydrophobicContact CG-CB 4.47Å; E76-R78 WeakPolarHBondContact OE1-CB 3.43Å; E76-R78 IonicContact OE1-CZ 3.57Å; E76-R78 VanDerWaalsContact OE1-CZ 3.24Å; E76-R78 IonicContact OE1-NE 3.04Å; E76-R78 PolarHBondContact OE1-NE 3.39Å; E76-R78 IonicContact OE1-NH2 2.7Å; E76-R78 PolarHBondContact OE1-NH2 3.18Å; E76-R78 IonicContact OE2-CZ 2.73Å; E76-R78 IonicContact OE2-NE 3.91Å; E76-R78 PolarHBondContact OE2-NE 3.04Å; E76-R78 IonicContact OE2-NH2 2.64Å; E76-R78 PolarHBondContact OE2-NH2 3.49Å
79	A	98	Very high	97.7	Very high	6 Å²	6	62.7 Å²	62.7	5%	0.05	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-78.1	152.1	169.1	0	0	0	0	0	110.1	L21 W153 R154	L21-A79 HydrophobicContact CD1-CB 3.7Å; A79-W153 HydrophobicContact CB-CD2 4.14Å; A79-W153 HydrophobicContact CB-CE3 3.44Å; A79-W153 VanDerWaalsContact CB-CE3 3.44Å; A79-W153 HydrophobicContact CB-CZ3 3.8Å; A79-R154 VanDerWaalsContact C-NH2 3.33Å; A79-R154 PolarHBondContact O-NH2 3.42Å
80	P	97.8	Very high	97.6	Very high	16 Å²	16	63.9 Å²	63.9	10%	0.104	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-54	147.8	167.8	-28.2	37.7	0	0	0	112.9	I97 A98 S146 E147 R154	P80-I97 HydrophobicContact CB-CG2 3.16Å; P80-I97 HydrophobicContact CG-CG2 4.15Å; P80-A98 WeakPolarHBondContact CB-O 3.41Å; P80-S146 WeakPolarHBondContact CD-O 3.31Å; P80-E147 HydrophobicContact CG-CB 4.24Å; P80-E147 HydrophobicContact CG-CG 4.17Å; P80-R154 VanDerWaalsContact O-CZ 3.22Å; P80-R154 PolarHBondContact O-NE 3.17Å; P80-R154 PolarHBondContact O-NH2 3.17Å
81	E	97.8	Very high	97.6	Very high	138 Å²	138	62 Å²	62	65%	0.645	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	144	-179.9	-66.5	-173.4	177.9	0	0	111.7	I97 A98	E81-I97 CarbonylContact O-C 3.58Å; E81-I97 WeakPolarHBondContact O-CA 3.2Å; E81-A98 PolarHBondContact O-N 2.86Å
82	V	98.2	Very high	97.6	Very high	46 Å²	46	62 Å²	62	28%	0.279	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124	168.6	172.8	0	0	0	0	107.6	E84 W95 A96 I97 R154 I158	V82-E84 VanDerWaalsContact CG1-O 3.32Å; V82-E84 WeakPolarHBondContact CG1-O 3.41Å; V82-W95 HydrophobicContact CG1-CB 4.19Å; V82-W95 HydrophobicContact CG1-CG 4.26Å; V82-W95 HydrophobicContact CG2-CB 4.2Å; V82-W95 HydrophobicContact CG2-CG 4.28Å; V82-A96 WeakPolarHBondContact CA-O 3.3Å; V82-I97 HydrophobicContact CG2-CG1 4.13Å; V82-R154 HydrophobicContact CG2-CG 3.61Å; V82-I158 HydrophobicContact CG2-CD1 3.87Å
83	V	97.4	Very high	97.6	Very high	67 Å²	67	58.8 Å²	58.8	41%	0.406	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-15.9	178.4	-66.5	0	0	0	0	112.6	A96 A98 R103	V83-A96 HydrophobicContact CG2-CB 4.07Å; V83-A96 WeakPolarHBondContact CG2-O 3.34Å; V83-A96 PolarHBondContact N-O 3.15Å; V83-A98 HydrophobicContact CG1-CB 3.72Å; V83-R103 HydrophobicContact CG2-CG 4.21Å
84	E	97.5	Very high	97.7	Very high	84 Å²	84	52.5 Å²	52.5	39%	0.393	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.2	176.2	-165.1	176.6	157.2	0	0	110.4	V82 Q86 W95 A96	V82-E84 VanDerWaalsContact CG1-O 3.32Å; V82-E84 WeakPolarHBondContact CG1-O 3.41Å; E84-Q86 HydrophobicContact CG-CG 4.45Å; E84-Q86 PolarHBondContact OE1-NE2 3.18Å; E84-W95 VanDerWaalsContact O-CA 3.31Å; E84-W95 WeakPolarHBondContact O-CA 3.28Å; E84-A96 HydrophobicContact CB-CB 3.84Å; E84-A96 PolarHBondContact N-O 3.37Å; E84-A96 PolarHBondContact O-N 3.07Å
85	E	98.4	Very high	97.8	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.5	172.3	-179.8	178.4	103.7	0	0	109.2	R87 I93 K94 W95	E85-R87 IonicContact OE1-CZ 2.79Å; E85-R87 IonicContact OE1-NE 3.76Å; E85-R87 PolarHBondContact OE1-NE 3.18Å; E85-R87 IonicContact OE1-NH2 3.36Å; E85-R87 PolarHBondContact OE1-NH2 3.14Å; E85-R87 IonicContact OE2-NH2 3.67Å; E85-R87 PolarHBondContact OE2-NH2 3.42Å; E85-I93 HydrophobicContact CG-CG2 3.74Å; E85-K94 WeakPolarHBondContact CA-O 3.13Å; E85-W95 PolarHBondContact OE2-NE1 3.04Å
86	Q	97.9	Very high	97.8	Very high	62 Å²	62	50.8 Å²	50.8	29%	0.29	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.8	174.9	-61.7	-180	-27	0	0	109.4	E84 I93 K94 I351	E84-Q86 HydrophobicContact CG-CG 4.45Å; E84-Q86 PolarHBondContact OE1-NE2 3.18Å; Q86-I93 CarbonylContact O-C 3.58Å; Q86-I93 WeakPolarHBondContact O-CA 3.24Å; Q86-I93 WeakPolarHBondContact O-CG2 3.16Å; Q86-K94 PolarHBondContact N-O 3.18Å; Q86-K94 PolarHBondContact O-N 3.13Å; Q86-I351 HydrophobicContact CB-CB 4.17Å; Q86-I351 HydrophobicContact CB-CD1 4.25Å; Q86-I351 HydrophobicContact CB-CG2 4.24Å; Q86-I351 PolarHBondContact OE1-O 3.32Å
87	R	98	Very high	97.8	Very high	148 Å²	148	49.9 Å²	49.9	56%	0.558	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.2	-176.8	-65.1	-178.8	176.1	-96.4	-5.7	110.1	E85 I93	E85-R87 IonicContact OE1-CZ 2.79Å; E85-R87 IonicContact OE1-NE 3.76Å; E85-R87 PolarHBondContact OE1-NE 3.18Å; E85-R87 IonicContact OE1-NH2 3.36Å; E85-R87 PolarHBondContact OE1-NH2 3.14Å; E85-R87 IonicContact OE2-NH2 3.67Å; E85-R87 PolarHBondContact OE2-NH2 3.42Å; R87-I93 HydrophobicContact CG-CG1 4.33Å; R87-I93 HydrophobicContact CG-CG2 4.22Å; R87-I93 VanDerWaalsContact NH1-CD1 3.28Å
88	S	97.4	Very high	97.7	Very high	11 Å²	11	50.5 Å²	50.5	8%	0.077	27%	0.266	C	S	.	.			trans	-77.8	152.5	175.1	178.3	0	0	0	0	111	D90 G91 T92 D350	S88-D90 WeakPolarHBondContact CB-OD1 3.45Å; S88-D90 PolarHBondContact O-N 3.42Å; S88-D90 PolarHBondContact OG-N 3.22Å; S88-D90 PolarHBondContact OG-OD1 3.46Å; S88-G91 PolarHBondContact O-N 2.89Å; S88-G91 VanDerWaalsContact O-N 3.15Å; S88-T92 WeakPolarHBondContact CB-O 3.4Å; S88-T92 PolarHBondContact N-O 3.25Å; S88-D350 WeakPolarHBondContact CB-OD1 3.36Å; S88-D350 VanDerWaalsContact OG-CG 3.25Å; S88-D350 PolarHBondContact OG-OD1 3.15Å; S88-D350 PolarHBondContact OG-OD2 2.95Å
89	S	96.5	Very high	97.6	Very high	115 Å²	115	44.5 Å²	44.5	80%	0.804	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.4	168.3	54.2	0	0	0	0	114	G91 D350	S89-G91 VanDerWaalsContact C-N 3.35Å; S89-D350 PolarHBondContact N-OD2 3.43Å; S89-D350 PolarHBondContact OG-OD2 3.13Å
90	D	96.1	Very high	97.4	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.283	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	6.6	178.4	79	12.1	0	0	0	114.3	S88 T92 R347 G348	S88-D90 WeakPolarHBondContact CB-OD1 3.45Å; S88-D90 PolarHBondContact O-N 3.42Å; S88-D90 PolarHBondContact OG-N 3.22Å; S88-D90 PolarHBondContact OG-OD1 3.46Å; D90-T92 WeakPolarHBondContact OD1-CA 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.37Å; D90-T92 PolarHBondContact OD1-N 3.07Å; D90-T92 PolarHBondContact OD1-OG1 3.38Å; D90-T92 PolarHBondContact OD2-OG1 3.45Å; D90-R347 VanDerWaalsContact CG-NE 3.31Å; D90-R347 PolarHBondContact O-NH2 3.43Å; D90-R347 IonicContact OD1-NE 2.69Å; D90-R347 IonicContact OD1-NH2 2.74Å; D90-R347 WeakPolarHBondContact OD2-CA 3.42Å; D90-R347 WeakPolarHBondContact OD2-CD 3.45Å; D90-R347 IonicContact OD2-CZ 2.73Å; D90-R347 IonicContact OD2-NE 4Å; D90-R347 PolarHBondContact OD2-NE 3.39Å; D90-G348 PolarHBondContact OD2-N 2.78Å
91	G	96.6	Very high	97.1	Very high	37 Å²	37	52.5 Å²	52.5	38%	0.381	30%	0.302	S	S	.	.	S	Bend	trans	87	-6.5	-177.1	0	0	0	0	0	115.3	S88 S89 P110	S88-G91 PolarHBondContact O-N 2.89Å; S88-G91 VanDerWaalsContact O-N 3.15Å; S89-G91 VanDerWaalsContact C-N 3.35Å; G91-P110 WeakPolarHBondContact O-CD 3.43Å; G91-P110 VanDerWaalsContact O-CG 3.24Å; G91-P110 WeakPolarHBondContact O-CG 3.17Å
92	T	98.1	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.272	C	S	.	.			trans	-62	137.7	173.6	-58.7	0	0	0	0	110.3	S88 D90 V107 Y108 I109 I351 A353	S88-T92 WeakPolarHBondContact CB-O 3.4Å; S88-T92 PolarHBondContact N-O 3.25Å; D90-T92 WeakPolarHBondContact OD1-CA 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.37Å; D90-T92 PolarHBondContact OD1-N 3.07Å; D90-T92 PolarHBondContact OD1-OG1 3.38Å; D90-T92 PolarHBondContact OD2-OG1 3.45Å; T92-V107 HydrophobicContact CG2-CG1 3.36Å; T92-Y108 CarbonylContact C-O 3.1Å; T92-Y108 VanDerWaalsContact CA-O 3.26Å; T92-Y108 WeakPolarHBondContact CA-O 3.23Å; T92-Y108 WeakPolarHBondContact CG2-O 3.34Å; T92-I109 HydrophobicContact CG2-CG1 4.4Å; T92-I351 HydrophobicContact CG2-CD1 4.49Å; T92-A353 HydrophobicContact CG2-CB 4.29Å
93	I	98.4	Very high	97	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.056	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.5	176.3	-48.2	170.9	0	0	0	108.1	E85 Q86 R87 W95 V107 Y108	E85-I93 HydrophobicContact CG-CG2 3.74Å; Q86-I93 CarbonylContact O-C 3.58Å; Q86-I93 WeakPolarHBondContact O-CA 3.24Å; Q86-I93 WeakPolarHBondContact O-CG2 3.16Å; R87-I93 HydrophobicContact CG-CG1 4.33Å; R87-I93 HydrophobicContact CG-CG2 4.22Å; R87-I93 VanDerWaalsContact NH1-CD1 3.28Å; I93-W95 HydrophobicContact CB-CH2 4.23Å; I93-W95 HydrophobicContact CB-CZ2 4Å; I93-W95 HydrophobicContact CD1-CH2 4.47Å; I93-W95 HydrophobicContact CD1-CZ2 4.13Å; I93-W95 HydrophobicContact CG2-CD2 4.18Å; I93-W95 HydrophobicContact CG2-CH2 4.25Å; I93-W95 HydrophobicContact CG2-CZ2 3.55Å; I93-V107 CarbonylContact O-C 3.57Å; I93-V107 WeakPolarHBondContact O-CA 3.33Å; I93-Y108 HydrophobicContact CD1-CD1 3.98Å; I93-Y108 HydrophobicContact CG1-CD1 4.2Å; I93-Y108 PolarHBondContact N-O 3.2Å; I93-Y108 PolarHBondContact O-N 3.39Å
94	K	98.4	Very high	97	Very high	15 Å²	15	45.2 Å²	45.2	7%	0.065	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.7	172	-177.4	171.4	65	170.6	0	109.6	E85 Q86 E105 V107 I351 D352 A353 L358	E85-K94 WeakPolarHBondContact CA-O 3.13Å; Q86-K94 PolarHBondContact N-O 3.18Å; Q86-K94 PolarHBondContact O-N 3.13Å; K94-E105 HydrophobicContact CD-CB 4.47Å; K94-E105 HydrophobicContact CD-CG 4.41Å; K94-E105 WeakPolarHBondContact CD-OE2 3.2Å; K94-E105 IonicContact NZ-OE2 3.33Å; K94-V107 HydrophobicContact CB-CG2 4.47Å; K94-V107 HydrophobicContact CD-CG2 4.47Å; K94-V107 HydrophobicContact CG-CG2 4.18Å; K94-I351 HydrophobicContact CB-CD1 3.86Å; K94-I351 WeakPolarHBondContact CE-O 3.21Å; K94-I351 PolarHBondContact NZ-O 3.42Å; K94-D352 PolarHBondContact NZ-O 2.54Å; K94-A353 HydrophobicContact CB-CB 3.88Å; K94-A353 HydrophobicContact CD-CB 3.82Å; K94-A353 HydrophobicContact CG-CB 4.28Å; K94-L358 HydrophobicContact CD-CD2 4.09Å
95	W	98.6	Very high	97	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.6	171.9	-61	-70.9	0	0	0	110.4	V82 E84 E85 I93 I97 E105 T106 Y108 L117 A155 I158 V159	V82-W95 HydrophobicContact CG1-CB 4.19Å; V82-W95 HydrophobicContact CG1-CG 4.26Å; V82-W95 HydrophobicContact CG2-CB 4.2Å; V82-W95 HydrophobicContact CG2-CG 4.28Å; E84-W95 VanDerWaalsContact O-CA 3.31Å; E84-W95 WeakPolarHBondContact O-CA 3.28Å; E85-W95 PolarHBondContact OE2-NE1 3.04Å; I93-W95 HydrophobicContact CB-CH2 4.23Å; I93-W95 HydrophobicContact CB-CZ2 4Å; I93-W95 HydrophobicContact CD1-CH2 4.47Å; I93-W95 HydrophobicContact CD1-CZ2 4.13Å; I93-W95 HydrophobicContact CG2-CD2 4.18Å; I93-W95 HydrophobicContact CG2-CH2 4.25Å; I93-W95 HydrophobicContact CG2-CZ2 3.55Å; W95-I97 HydrophobicContact CB-CG1 4.3Å; W95-E105 WeakPolarHBondContact O-CA 3.46Å; W95-T106 HydrophobicContact CE3-CG2 4.28Å; W95-T106 PolarHBondContact N-O 3.11Å; W95-T106 PolarHBondContact O-N 3.4Å; W95-Y108 HydrophobicContact CH2-CG 4.1Å; W95-Y108 VanDerWaalsContact CZ3-CB 3.47Å; W95-Y108 HydrophobicContact CZ3-CG 4.43Å; W95-L117 HydrophobicContact CZ3-CD1 3.94Å; W95-A155 HydrophobicContact CE3-CB 4.23Å; W95-A155 HydrophobicContact CH2-CB 4Å; W95-A155 HydrophobicContact CZ3-CB 3.54Å; W95-I158 HydrophobicContact CZ2-CB 4.35Å; W95-I158 HydrophobicContact CZ2-CG2 3.87Å; W95-V159 HydrophobicContact CH2-CG2 4.02Å; W95-V159 HydrophobicContact CZ2-CG2 4.48Å
96	A	98.2	Very high	97	Very high	12 Å²	12	38.3 Å²	38.3	10%	0.099	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.5	162.1	0	0	0	0	0	108.7	V82 V83 E84	V82-A96 WeakPolarHBondContact CA-O 3.3Å; V83-A96 HydrophobicContact CG2-CB 4.07Å; V83-A96 WeakPolarHBondContact CG2-O 3.34Å; V83-A96 PolarHBondContact N-O 3.15Å; E84-A96 HydrophobicContact CB-CB 3.84Å; E84-A96 PolarHBondContact N-O 3.37Å; E84-A96 PolarHBondContact O-N 3.07Å
97	I	97.9	Very high	97.1	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.5	-172.2	-69.7	174.8	0	0	0	109.6	P80 E81 V82 W95 V99 R103 V104 T106 Q151	P80-I97 HydrophobicContact CB-CG2 3.16Å; P80-I97 HydrophobicContact CG-CG2 4.15Å; E81-I97 CarbonylContact O-C 3.58Å; E81-I97 WeakPolarHBondContact O-CA 3.2Å; V82-I97 HydrophobicContact CG2-CG1 4.13Å; W95-I97 HydrophobicContact CB-CG1 4.3Å; I97-V99 HydrophobicContact CG2-CG1 4.41Å; I97-V99 PolarHBondContact O-N 3.2Å; I97-R103 WeakPolarHBondContact O-CA 3.43Å; I97-V104 HydrophobicContact CB-CG2 4.4Å; I97-V104 PolarHBondContact N-O 3.48Å; I97-V104 PolarHBondContact O-N 3.4Å; I97-V104 VanDerWaalsContact O-N 3.08Å; I97-T106 VanDerWaalsContact CD1-OG1 3.25Å; I97-T106 WeakPolarHBondContact CD1-OG1 3.16Å; I97-Q151 HydrophobicContact CD1-CB 4.24Å; I97-Q151 HydrophobicContact CD1-CG 3.76Å
98	A	97.6	Very high	97.1	Very high	27 Å²	27	29.8 Å²	29.8	22%	0.223	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.1	179.5	0	0	0	0	0	111.5	P80 E81 V83	P80-A98 WeakPolarHBondContact CB-O 3.41Å; E81-A98 PolarHBondContact O-N 2.86Å; V83-A98 HydrophobicContact CG1-CB 3.72Å
99	V	95.8	Very high	97.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	19%	0.191	C	C	.	.			trans	-125.8	63	-179.9	-71.4	0	0	0	0	110.1	I97 Q102 V104 V123 R141 L143 E147	I97-V99 HydrophobicContact CG2-CG1 4.41Å; I97-V99 PolarHBondContact O-N 3.2Å; V99-Q102 HydrophobicContact CG2-CB 4.25Å; V99-Q102 WeakPolarHBondContact CG2-O 3.42Å; V99-Q102 PolarHBondContact N-O 3Å; V99-V104 HydrophobicContact CG1-CG2 3.84Å; V99-V104 HydrophobicContact CG2-CG1 4.05Å; V99-V104 HydrophobicContact CG2-CG2 4.22Å; V99-V123 HydrophobicContact CG2-CG2 3.93Å; V99-R141 PolarHBondContact O-NH2 3.04Å; V99-L143 HydrophobicContact CB-CD2 4.2Å; V99-L143 HydrophobicContact CG1-CD2 3.93Å; V99-L143 HydrophobicContact CG2-CD2 4.29Å; V99-E147 HydrophobicContact CG1-CB 4.37Å; V99-E147 HydrophobicContact CG1-CG 4.31Å
100	G	92.2	Very high	97.2	Very high	72 Å²	72	26.5 Å²	26.5	74%	0.742	16%	0.164	S	C	*	.	S	Bend	trans	89.9	-125.5	-168.8	0	0	0	0	0	110.5	Q102	G100-Q102 VanDerWaalsContact C-N 3.32Å
101	D	91.6	Very high	97.1	Very high	117 Å²	117	27.1 Å²	27.1	63%	0.626	17%	0.165	S	C	*	.	S	Bend	trans	-87.9	2	175.3	57.7	-3.8	0	0	0	113.8	I363	D101-I363 HydrophobicContact CB-CD1 4.46Å; D101-I363 WeakPolarHBondContact OD2-CD1 3.26Å
102	Q	96.5	Very high	97	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.023	19%	0.193	C	C	.	.	S	Bend	trans	-121.6	168.5	-174.7	-75	163.2	104.1	0	0	111.2	V99 G100 V123 N140 D361 I363	V99-Q102 HydrophobicContact CG2-CB 4.25Å; V99-Q102 WeakPolarHBondContact CG2-O 3.42Å; V99-Q102 PolarHBondContact N-O 3Å; G100-Q102 VanDerWaalsContact C-N 3.32Å; Q102-V123 HydrophobicContact CB-CG1 3.9Å; Q102-V123 HydrophobicContact CG-CG1 4.28Å; Q102-N140 PolarHBondContact NE2-OD1 3.45Å; Q102-N140 PolarHBondContact OE1-ND2 3.05Å; Q102-D361 CarbonylContact C-O 3.57Å; Q102-D361 WeakPolarHBondContact CA-O 3.44Å; Q102-D361 VanDerWaalsContact CB-O 3.25Å; Q102-D361 WeakPolarHBondContact CB-O 3.46Å; Q102-I363 HydrophobicContact CG-CB 4.26Å; Q102-I363 HydrophobicContact CG-CD1 3.95Å; Q102-I363 HydrophobicContact CG-CG1 3.84Å
103	R	97.1	Very high	96.8	Very high	94 Å²	94	40 Å²	40	36%	0.355	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.7	179.3	-55.7	173.8	-172.6	-169	-0.6	111.3	V83 I97 G360 D361	V83-R103 HydrophobicContact CG2-CG 4.21Å; I97-R103 WeakPolarHBondContact O-CA 3.43Å; R103-G360 WeakPolarHBondContact O-CA 3.37Å; R103-D361 HydrophobicContact CB-CB 3.77Å; R103-D361 HydrophobicContact CG-CB 3.88Å; R103-D361 PolarHBondContact N-O 3.29Å; R103-D361 PolarHBondContact O-N 3.49Å
104	V	98.3	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	161.9	165.1	-66.3	0	0	0	0	109.5	I97 V99 V123 L143 M178	I97-V104 HydrophobicContact CB-CG2 4.4Å; I97-V104 PolarHBondContact N-O 3.48Å; I97-V104 PolarHBondContact O-N 3.4Å; I97-V104 VanDerWaalsContact O-N 3.08Å; V99-V104 HydrophobicContact CG1-CG2 3.84Å; V99-V104 HydrophobicContact CG2-CG1 4.05Å; V99-V104 HydrophobicContact CG2-CG2 4.22Å; V104-V123 HydrophobicContact CG1-CB 4.37Å; V104-V123 HydrophobicContact CG1-CG1 4.46Å; V104-V123 HydrophobicContact CG1-CG2 4Å; V104-L143 HydrophobicContact CG1-CD1 4.29Å; V104-L143 HydrophobicContact CG1-CD2 4.19Å; V104-L143 HydrophobicContact CG2-CD1 4.2Å; V104-M178 HydrophobicContact CB-SD 4.14Å; V104-M178 HydrophobicContact CG1-SD 4.33Å
105	E	98.4	Very high	96.7	Very high	19 Å²	19	43.5 Å²	43.5	9%	0.089	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.4	-177	-64.9	176.6	-175	0	0	111.7	K94 W95 S120 M178 L358 G360	K94-E105 HydrophobicContact CD-CB 4.47Å; K94-E105 HydrophobicContact CD-CG 4.41Å; K94-E105 WeakPolarHBondContact CD-OE2 3.2Å; K94-E105 IonicContact NZ-OE2 3.33Å; W95-E105 WeakPolarHBondContact O-CA 3.46Å; E105-S120 PolarHBondContact O-OG 3Å; E105-M178 HydrophobicContact CB-SD 4.32Å; E105-M178 HydrophobicContact CG-SD 4.42Å; E105-L358 HydrophobicContact CB-CB 4.3Å; E105-L358 HydrophobicContact CB-CD1 4.35Å; E105-L358 HydrophobicContact CB-CD2 4.18Å; E105-L358 HydrophobicContact CB-CG 4.49Å; E105-L358 WeakPolarHBondContact OE2-CA 3.21Å; E105-L358 VanDerWaalsContact OE2-CB 3.26Å; E105-L358 WeakPolarHBondContact OE2-CB 3.38Å; E105-L358 WeakPolarHBondContact OE2-CD2 3.48Å; E105-G360 WeakPolarHBondContact OE1-CA 3.48Å; E105-G360 PolarHBondContact OE1-N 3.04Å
106	T	98.5	Very high	96.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.6	173.3	-58.8	0	0	0	0	108.6	W95 I97 L117 C118 Q151	W95-T106 HydrophobicContact CE3-CG2 4.28Å; W95-T106 PolarHBondContact N-O 3.11Å; W95-T106 PolarHBondContact O-N 3.4Å; I97-T106 VanDerWaalsContact CD1-OG1 3.25Å; I97-T106 WeakPolarHBondContact CD1-OG1 3.16Å; T106-L117 HydrophobicContact CG2-CD1 3.65Å; T106-L117 HydrophobicContact CG2-CD2 3.91Å; T106-L117 HydrophobicContact CG2-CG 3.77Å; T106-C118 WeakPolarHBondContact CA-O 3.47Å; T106-C118 WeakPolarHBondContact CG2-O 3.33Å; T106-Q151 HydrophobicContact CG2-CB 4.07Å; T106-Q151 WeakPolarHBondContact OG1-CB 3.44Å; T106-Q151 WeakPolarHBondContact OG1-CG 3.23Å; T106-Q151 PolarHBondContact OG1-OE1 3.33Å
107	V	98.6	Very high	96.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.7	-175	-173.6	0	0	0	0	110.8	T92 I93 K94 I109 L117 C118 A353 L358	T92-V107 HydrophobicContact CG2-CG1 3.36Å; I93-V107 CarbonylContact O-C 3.57Å; I93-V107 WeakPolarHBondContact O-CA 3.33Å; K94-V107 HydrophobicContact CB-CG2 4.47Å; K94-V107 HydrophobicContact CD-CG2 4.47Å; K94-V107 HydrophobicContact CG-CG2 4.18Å; V107-I109 HydrophobicContact CG1-CG1 3.99Å; V107-L117 CarbonylContact O-C 3.55Å; V107-L117 WeakPolarHBondContact O-CA 3.43Å; V107-C118 HydrophobicContact CB-CB 3.98Å; V107-C118 PolarHBondContact N-O 2.84Å; V107-C118 VanDerWaalsContact N-O 3.08Å; V107-C118 PolarHBondContact O-N 3.45Å; V107-A353 HydrophobicContact CG1-CB 3.95Å; V107-A353 HydrophobicContact CG2-CB 4.02Å; V107-L358 HydrophobicContact CG2-CD1 4.32Å; V107-L358 HydrophobicContact CG2-CD2 3.65Å
108	Y	98.6	Very high	96.8	Very high	28 Å²	28	44 Å²	44	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.9	172.8	175.5	-99.6	0	0	0	110.7	T92 I93 W95 P110 A115 L117 V159 P169	T92-Y108 CarbonylContact C-O 3.1Å; T92-Y108 VanDerWaalsContact CA-O 3.26Å; T92-Y108 WeakPolarHBondContact CA-O 3.23Å; T92-Y108 WeakPolarHBondContact CG2-O 3.34Å; I93-Y108 HydrophobicContact CD1-CD1 3.98Å; I93-Y108 HydrophobicContact CG1-CD1 4.2Å; I93-Y108 PolarHBondContact N-O 3.2Å; I93-Y108 PolarHBondContact O-N 3.39Å; W95-Y108 HydrophobicContact CH2-CG 4.1Å; W95-Y108 VanDerWaalsContact CZ3-CB 3.47Å; W95-Y108 HydrophobicContact CZ3-CG 4.43Å; Y108-P110 HydrophobicContact CD1-CG 4.38Å; Y108-P110 HydrophobicContact CE1-CB 3.81Å; Y108-P110 HydrophobicContact CE1-CG 3.96Å; Y108-A115 HydrophobicContact CE2-CB 3.64Å; Y108-A115 WeakPolarHBondContact OH-CB 3.41Å; Y108-L117 HydrophobicContact CD2-CD1 4.29Å; Y108-V159 HydrophobicContact CD1-CG2 4.5Å; Y108-V159 HydrophobicContact CD2-CG2 4.15Å; Y108-V159 HydrophobicContact CE1-CG2 4.39Å; Y108-V159 HydrophobicContact CE2-CG1 4.33Å; Y108-V159 HydrophobicContact CE2-CG2 4.01Å; Y108-V159 HydrophobicContact CG-CG2 4.38Å; Y108-P169 WeakPolarHBondContact CE2-O 3.19Å
109	I	98.1	Very high	96.8	Very high	22 Å²	22	42.8 Å²	42.8	11%	0.113	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	97.7	-174.3	-52.7	171.4	0	0	0	108.2	T92 V107 T116 R347	T92-I109 HydrophobicContact CG2-CG1 4.4Å; V107-I109 HydrophobicContact CG1-CG1 3.99Å; I109-T116 PolarHBondContact N-O 3.06Å; I109-T116 PolarHBondContact O-N 3.19Å; I109-R347 HydrophobicContact CG2-CB 4.18Å; I109-R347 HydrophobicContact CG2-CG 3.95Å
110	P	96.9	Very high	97	Very high	36 Å²	36	42.7 Å²	42.7	23%	0.234	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	140.7	174.7	30.6	-32	0	0	0	111	G91 Y108 R347	G91-P110 WeakPolarHBondContact O-CD 3.43Å; G91-P110 VanDerWaalsContact O-CG 3.24Å; G91-P110 WeakPolarHBondContact O-CG 3.17Å; Y108-P110 HydrophobicContact CD1-CG 4.38Å; Y108-P110 HydrophobicContact CE1-CB 3.81Å; Y108-P110 HydrophobicContact CE1-CG 3.96Å; P110-R347 VanDerWaalsContact O-CZ 3.29Å; P110-R347 PolarHBondContact O-NH1 3.45Å; P110-R347 PolarHBondContact O-NH2 2.9Å
111	E	95.4	Very high	97.3	Very high	65 Å²	65	39.3 Å²	39.3	30%	0.304	20%	0.196	S	C	.	.			trans	-131	172.8	168.6	-61.5	-96.5	-122	0	0	107.9	D113 R114 R347	E111-D113 VanDerWaalsContact C-N 3.31Å; E111-D113 PolarHBondContact O-N 3.48Å; E111-R114 CarbonylContact C-O 3.58Å; E111-R114 WeakPolarHBondContact CA-O 3.46Å; E111-R114 HydrophobicContact CB-CG 3.94Å; E111-R114 WeakPolarHBondContact CB-O 3.47Å; E111-R114 HydrophobicContact CG-CG 4.31Å; E111-R114 PolarHBondContact N-O 2.85Å; E111-R114 VanDerWaalsContact O-O 3.07Å; E111-R114 IonicContact OE1-CZ 3.86Å; E111-R114 IonicContact OE1-NH1 3.6Å; E111-R114 IonicContact OE1-NH2 2.95Å; E111-R114 PolarHBondContact OE1-NH2 2.84Å; E111-R347 IonicContact OE2-NH1 3.42Å; E111-R347 PolarHBondContact OE2-NH1 3.39Å
112	D	94	Very high	97.6	Very high	180 Å²	180	33.9 Å²	33.9	96%	0.963	17%	0.167	S	C	*	.	S	Bend	trans	-61	-36.9	-175.2	-59.1	-30.5	0	0	0	113.6
113	D	94.8	Very high	97.7	Very high	128 Å²	128	33.6 Å²	33.6	68%	0.684	17%	0.166	S	C	*	.	S	Bend	trans	-113	-5	-172.4	74.2	-35.2	0	0	0	114.4	E111	E111-D113 VanDerWaalsContact C-N 3.31Å; E111-D113 PolarHBondContact O-N 3.48Å
114	R	96.7	Very high	97.6	Very high	92 Å²	92	29.1 Å²	29.1	35%	0.347	15%	0.149	S	C	.	.			trans	-157.8	160.1	-172.7	70.1	-174	-174.5	-70.2	-6.1	112.1	E111 T171	E111-R114 CarbonylContact C-O 3.58Å; E111-R114 WeakPolarHBondContact CA-O 3.46Å; E111-R114 HydrophobicContact CB-CG 3.94Å; E111-R114 WeakPolarHBondContact CB-O 3.47Å; E111-R114 HydrophobicContact CG-CG 4.31Å; E111-R114 PolarHBondContact N-O 2.85Å; E111-R114 VanDerWaalsContact O-O 3.07Å; E111-R114 IonicContact OE1-CZ 3.86Å; E111-R114 IonicContact OE1-NH1 3.6Å; E111-R114 IonicContact OE1-NH2 2.95Å; E111-R114 PolarHBondContact OE1-NH2 2.84Å; R114-T171 WeakPolarHBondContact CA-OG1 3.35Å; R114-T171 WeakPolarHBondContact CB-OG1 3.38Å
115	A	97.9	Very high	97.5	Very high	8 Å²	8	29.8 Å²	29.8	7%	0.066	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.6	171.7	0	0	0	0	0	110	Y108 P169 T171 N172	Y108-A115 HydrophobicContact CE2-CB 3.64Å; Y108-A115 WeakPolarHBondContact OH-CB 3.41Å; A115-P169 VanDerWaalsContact CB-O 3.31Å; A115-P169 WeakPolarHBondContact CB-O 3.29Å; A115-T171 PolarHBondContact N-OG1 3.06Å; A115-T171 PolarHBondContact O-N 3.33Å; A115-T171 PolarHBondContact O-OG1 3.46Å; A115-T171 VanDerWaalsContact O-OG1 3.12Å; A115-N172 PolarHBondContact O-N 3.29Å
116	T	98.6	Very high	97.3	Very high	19 Å²	19	30.7 Å²	30.7	12%	0.117	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.4	-175.9	-53.7	0	0	0	0	110.7	I109 N172 V174	I109-T116 PolarHBondContact N-O 3.06Å; I109-T116 PolarHBondContact O-N 3.19Å; T116-N172 CarbonylContact C-O 3.59Å; T116-N172 WeakPolarHBondContact CA-O 3.17Å; T116-N172 HydrophobicContact CG2-CB 3.98Å; T116-V174 HydrophobicContact CG2-CG1 3.9Å; T116-V174 HydrophobicContact CG2-CG2 4.06Å
117	L	98.8	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.2	171.9	-163.2	76.2	0	0	0	110.8	W95 T106 V107 Y108 V119 V152 A155 I170 N172 V173 V174	W95-L117 HydrophobicContact CZ3-CD1 3.94Å; T106-L117 HydrophobicContact CG2-CD1 3.65Å; T106-L117 HydrophobicContact CG2-CD2 3.91Å; T106-L117 HydrophobicContact CG2-CG 3.77Å; V107-L117 CarbonylContact O-C 3.55Å; V107-L117 WeakPolarHBondContact O-CA 3.43Å; Y108-L117 HydrophobicContact CD2-CD1 4.29Å; L117-V119 HydrophobicContact CD2-CG2 3.79Å; L117-V119 HydrophobicContact CG-CG2 4.07Å; L117-V152 HydrophobicContact CD2-CB 4.18Å; L117-V152 HydrophobicContact CD2-CG1 4.34Å; L117-V152 HydrophobicContact CD2-CG2 4.08Å; L117-A155 HydrophobicContact CD1-CB 3.56Å; L117-A155 HydrophobicContact CD2-CB 3.78Å; L117-A155 HydrophobicContact CG-CB 4.36Å; L117-I170 HydrophobicContact CB-CD1 4.28Å; L117-I170 HydrophobicContact CB-CG1 4.42Å; L117-I170 HydrophobicContact CB-CG2 4Å; L117-I170 HydrophobicContact CD2-CD1 3.87Å; L117-I170 HydrophobicContact CG-CD1 4.47Å; L117-N172 PolarHBondContact N-O 3.36Å; L117-V173 HydrophobicContact CB-CG2 4.41Å; L117-V173 CarbonylContact O-C 3.29Å; L117-V173 WeakPolarHBondContact O-CA 3.27Å; L117-V174 PolarHBondContact O-N 3.26Å
118	C	98.6	Very high	97	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.054	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119	171.7	-168.4	0	0	0	0	109.6	T106 V107 V174 M176 G177	T106-C118 WeakPolarHBondContact CA-O 3.47Å; T106-C118 WeakPolarHBondContact CG2-O 3.33Å; V107-C118 HydrophobicContact CB-CB 3.98Å; V107-C118 PolarHBondContact N-O 2.84Å; V107-C118 VanDerWaalsContact N-O 3.08Å; V107-C118 PolarHBondContact O-N 3.45Å; C118-V174 WeakPolarHBondContact CA-O 3.44Å; C118-V174 HydrophobicContact CB-CG2 4Å; C118-M176 PolarHBondContact SG-O 3.23Å; C118-M176 VanDerWaalsContact SG-O 3.37Å; C118-G177 PolarHBondContact SG-N 3.18Å
119	V	98.6	Very high	96.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.183	C	C	.	.			trans	-115.4	134.6	-170.4	176	0	0	0	0	110.4	L117 I148 Q151 V152 V173 V174 M175 G177	L117-V119 HydrophobicContact CD2-CG2 3.79Å; L117-V119 HydrophobicContact CG-CG2 4.07Å; V119-I148 HydrophobicContact CG1-CG2 3.82Å; V119-Q151 HydrophobicContact CG1-CB 4.2Å; V119-V152 HydrophobicContact CG2-CG2 4Å; V119-V173 HydrophobicContact CB-CG1 4.43Å; V119-V173 HydrophobicContact CG2-CG1 3.82Å; V119-V174 PolarHBondContact N-O 3.45Å; V119-M175 HydrophobicContact CB-CE 4.28Å; V119-M175 HydrophobicContact CB-SD 4.07Å; V119-M175 HydrophobicContact CG1-CE 3.95Å; V119-M175 HydrophobicContact CG1-SD 4.23Å; V119-G177 WeakPolarHBondContact O-CA 3.31Å; V119-G177 PolarHBondContact O-N 3.08Å; V119-G177 VanDerWaalsContact O-N 3.08Å
120	S	98.7	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.			trans	-78.8	143.7	172.9	-68.7	0	0	0	0	111.2	E105 L143 Q151 M178	E105-S120 PolarHBondContact O-OG 3Å; S120-L143 WeakPolarHBondContact O-CD1 3.45Å; S120-Q151 PolarHBondContact O-NE2 3.29Å; S120-M178 CarbonylContact C-O 3.45Å; S120-M178 WeakPolarHBondContact CA-O 3.31Å; S120-M178 WeakPolarHBondContact OG-CB 3.35Å; S120-M178 PolarHBondContact OG-N 3.43Å
121	S	98.7	Very high	96.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	19%	0.187	C	C	.	.			trans	-113.9	-18.7	-178.9	67.8	0	0	0	0	113.6	L143 M178 G179 N184	S121-L143 WeakPolarHBondContact O-CB 3.48Å; S121-L143 PolarHBondContact O-N 3.21Å; S121-M178 PolarHBondContact N-O 3.26Å; S121-M178 PolarHBondContact OG-O 3.03Å; S121-G179 PolarHBondContact OG-O 3.17Å; S121-N184 PolarHBondContact O-ND2 2.74Å
122	Q	98.5	Very high	96.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163	179.1	-53	179.6	-60.4	0	0	110.6	G124 F139 N142 M178 N184	Q122-G124 WeakPolarHBondContact CB-O 3.38Å; Q122-G124 PolarHBondContact O-N 2.75Å; Q122-F139 HydrophobicContact CB-CE2 4.19Å; Q122-F139 HydrophobicContact CG-CE2 4.45Å; Q122-N142 PolarHBondContact NE2-OD1 3.01Å; Q122-M178 PolarHBondContact N-O 3.32Å; Q122-M178 VanDerWaalsContact N-O 3.11Å; Q122-N184 HydrophobicContact CG-CB 4.35Å
123	V	97.5	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	99.6	168.1	-170.7	0	0	0	0	108	V99 Q102 V104 N140 R141 L143 V362	V99-V123 HydrophobicContact CG2-CG2 3.93Å; Q102-V123 HydrophobicContact CB-CG1 3.9Å; Q102-V123 HydrophobicContact CG-CG1 4.28Å; V104-V123 HydrophobicContact CG1-CB 4.37Å; V104-V123 HydrophobicContact CG1-CG1 4.46Å; V104-V123 HydrophobicContact CG1-CG2 4Å; V123-N140 HydrophobicContact CB-CB 4.23Å; V123-N140 HydrophobicContact CG1-CB 4.16Å; V123-N140 PolarHBondContact O-N 3.22Å; V123-R141 HydrophobicContact CB-CG 4.27Å; V123-R141 HydrophobicContact CG2-CG 3.92Å; V123-R141 PolarHBondContact N-O 2.94Å; V123-L143 HydrophobicContact CG2-CD2 3.53Å; V123-L143 HydrophobicContact CG2-CG 4.37Å; V123-V362 HydrophobicContact CG1-CG1 4.22Å; V123-V362 HydrophobicContact CG1-CG2 4.08Å
124	G	95.8	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-166.2	-168	0	0	0	0	0	113	Q122 G138 G179	Q122-G124 WeakPolarHBondContact CB-O 3.38Å; Q122-G124 PolarHBondContact O-N 2.75Å; G124-G138 CarbonylContact C-O 3.58Å; G124-G138 VanDerWaalsContact CA-O 3.27Å; G124-G138 WeakPolarHBondContact CA-O 3.38Å; G124-G179 WeakPolarHBondContact O-CA 3.34Å
125	C	96.7	Very high	96.4	Very high	14 Å²	14	16.1 Å²	16.1	10%	0.095	9%	0.092	C	C	.	.			trans	-149.4	132.9	177.2	-172.8	0	0	0	0	112.5	L127 T134 G138 R368	C125-L127 PolarHBondContact O-N 3.02Å; C125-T134 HydrophobicContact CB-CG2 3.91Å; C125-G138 PolarHBondContact N-O 3.03Å; C125-R368 PolarHBondContact O-NH1 2.68Å
126	A	94.1	Very high	96	Very high	37 Å²	37	17.9 Å²	17.9	31%	0.306	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.5	-178	0	0	0	0	0	114.2	E128 F139 R368	A126-E128 PolarHBondContact O-N 2.76Å; A126-F139 HydrophobicContact CB-CB 4.14Å; A126-F139 HydrophobicContact CB-CD1 4.5Å; A126-F139 HydrophobicContact CB-CD2 4.42Å; A126-F139 HydrophobicContact CB-CG 4.11Å; A126-R368 PolarHBondContact O-NH2 2.9Å; A126-R368 VanDerWaalsContact O-NH2 3.17Å
127	L	94.7	Very high	95.5	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.068	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.4	-165.7	-65.8	-167.7	0	0	0	117	C125 C129 E180 L183 S213 I248	C125-L127 PolarHBondContact O-N 3.02Å; L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.35Å; L127-E180 HydrophobicContact CD1-CB 3.64Å; L127-E180 HydrophobicContact CD1-CG 3.77Å; L127-E180 HydrophobicContact CG-CB 4Å; L127-E180 HydrophobicContact CG-CG 4.4Å; L127-L183 HydrophobicContact CD2-CD1 3.87Å; L127-L183 HydrophobicContact CG-CD1 4.47Å; L127-S213 VanDerWaalsContact CD1-CB 3.46Å; L127-I248 HydrophobicContact CD2-CB 4.38Å; L127-I248 HydrophobicContact CD2-CD1 4.32Å; L127-I248 HydrophobicContact CD2-CG1 4.37Å
128	E	94.9	Very high	95.2	Very high	83 Å²	83	19.7 Å²	19.7	39%	0.388	11%	0.106	S	C	.	.			trans	59.8	24.9	176	-10.4	-148.6	124.6	0	0	116.2	A126 K130 P247 R368	A126-E128 PolarHBondContact O-N 2.76Å; E128-K130 PolarHBondContact O-N 3.26Å; E128-K130 VanDerWaalsContact O-N 3.1Å; E128-P247 HydrophobicContact CB-CG 4.33Å; E128-R368 IonicContact OE1-CZ 3.61Å; E128-R368 IonicContact OE1-NE 3.4Å; E128-R368 PolarHBondContact OE1-NE 2.84Å; E128-R368 VanDerWaalsContact OE1-NE 3.13Å; E128-R368 IonicContact OE1-NH2 3.01Å; E128-R368 PolarHBondContact OE1-NH2 3.33Å
129	C	96.8	Very high	95	Very high	11 Å²	11	21.5 Å²	21.5	7%	0.074	11%	0.112	C	C	.	.			trans	-55.6	119.1	174.9	-59.3	0	0	0	0	110.7	L127 F131 C132 A135 I245	L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.35Å; C129-F131 HydrophobicContact CB-CE1 4.23Å; C129-F131 HydrophobicContact CB-CE2 4.44Å; C129-F131 HydrophobicContact CB-CZ 3.99Å; C129-F131 PolarHBondContact O-N 2.7Å; C129-C132 HydrophobicContact CB-CB 4.06Å; C129-C132 PolarHBondContact O-N 3.24Å; C129-A135 WeakPolarHBondContact O-CB 3.32Å; C129-I245 WeakPolarHBondContact CA-O 3.12Å
130	K	95.6	Very high	94.9	Very high	78 Å²	78	22.2 Å²	22.2	34%	0.339	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.8	-166.1	-67.2	-169	172.6	110.4	0	113.8	E128 E244 I245 Y319	E128-K130 PolarHBondContact O-N 3.26Å; E128-K130 VanDerWaalsContact O-N 3.1Å; K130-E244 WeakPolarHBondContact CD-O 3.33Å; K130-E244 WeakPolarHBondContact CE-O 3.47Å; K130-E244 WeakPolarHBondContact CG-O 3.12Å; K130-E244 PolarHBondContact NZ-O 3.08Å; K130-E244 IonicContact NZ-OE2 3.53Å; K130-E244 PolarHBondContact NZ-OE2 3.05Å; K130-I245 PolarHBondContact N-O 2.81Å; K130-Y319 HydrophobicContact CB-CE2 3.75Å; K130-Y319 WeakPolarHBondContact CB-OH 3.41Å
131	F	95.9	Very high	94.8	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.083	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	13.1	-179.1	58.7	-97	0	0	0	113.3	C129 H235 I245 V246 V280 L282 W311 F314 Y319	C129-F131 HydrophobicContact CB-CE1 4.23Å; C129-F131 HydrophobicContact CB-CE2 4.44Å; C129-F131 HydrophobicContact CB-CZ 3.99Å; C129-F131 PolarHBondContact O-N 2.7Å; F131-H235 HydrophobicContact CE1-CB 4.46Å; F131-H235 AromaticContact CE1-CD2 3.98Å; F131-H235 AromaticContact CE2-CD2 3.92Å; F131-H235 AromaticContact CE2-NE2 3.92Å; F131-H235 HydrophobicContact CZ-CB 4.47Å; F131-H235 AromaticContact CZ-CD2 3.23Å; F131-H235 WeakPolarHBondContact CZ-CD2 3.16Å; F131-H235 AromaticContact CZ-CG 3.96Å; F131-H235 AromaticContact CZ-NE2 3.68Å; F131-I245 HydrophobicContact CD1-CB 4.04Å; F131-I245 HydrophobicContact CE1-CB 4.1Å; F131-I245 HydrophobicContact CE1-CD1 4.34Å; F131-I245 HydrophobicContact CE1-CG1 4.44Å; F131-I245 WeakPolarHBondContact CE1-O 3.42Å; F131-V246 HydrophobicContact CE1-CG2 3.58Å; F131-V246 HydrophobicContact CZ-CG2 3.83Å; F131-V280 HydrophobicContact CD1-CG1 4.09Å; F131-V280 HydrophobicContact CD2-CG1 3.98Å; F131-V280 HydrophobicContact CD2-CG2 4.4Å; F131-V280 HydrophobicContact CE1-CG1 4.12Å; F131-V280 HydrophobicContact CE2-CG1 4.03Å; F131-V280 HydrophobicContact CG-CG1 4.06Å; F131-V280 HydrophobicContact CZ-CG1 4.12Å; F131-L282 HydrophobicContact CB-CD1 4.24Å; F131-L282 HydrophobicContact CB-CD2 3.91Å; F131-L282 HydrophobicContact CD1-CD1 4.16Å; F131-L282 HydrophobicContact CG-CD1 4.45Å; F131-W311 PolarHBondContact O-NE1 3.21Å; F131-F314 VanDerWaalsContact C-CE1 3.45Å; F131-F314 VanDerWaalsContact O-CE1 3.28Å; F131-F314 WeakPolarHBondContact O-CE1 3.42Å; F131-Y319 HydrophobicContact CB-CD2 3.93Å; F131-Y319 HydrophobicContact CB-CE2 4.06Å
132	C	95.8	Very high	94.8	Very high	26 Å²	26	27.9 Å²	27.9	18%	0.176	14%	0.142	C	C	.	.			trans	-117.7	124.9	-175.1	179.2	0	0	0	0	111.7	C129 T134 A135	C129-C132 HydrophobicContact CB-CB 4.06Å; C129-C132 PolarHBondContact O-N 3.24Å; C132-T134 PolarHBondContact O-N 2.79Å; C132-A135 HydrophobicContact CB-CB 4.07Å; C132-A135 WeakPolarHBondContact O-CB 3.45Å; C132-A135 PolarHBondContact O-N 3.5Å
133	S	93.5	Very high	94.8	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.5	-175.7	0	0	0	0	111.8	A135 Q136 G356 Q357	S133-A135 PolarHBondContact O-N 2.98Å; S133-A135 VanDerWaalsContact O-N 3.16Å; S133-Q136 WeakPolarHBondContact O-CB 3.17Å; S133-Q136 PolarHBondContact O-N 3.41Å; S133-G356 WeakPolarHBondContact CA-O 3.43Å; S133-G356 WeakPolarHBondContact CB-O 3.27Å; S133-G356 PolarHBondContact N-O 3.16Å; S133-Q357 WeakPolarHBondContact CB-O 3.42Å; S133-Q357 PolarHBondContact OG-O 3.46Å
134	T	93.7	Very high	94.9	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-56.4	-35.7	176.8	-47.1	0	0	0	0	112.2	C125 C132 Q136 Q137 M178 L358	C125-T134 HydrophobicContact CB-CG2 3.91Å; C132-T134 PolarHBondContact O-N 2.79Å; T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.79Å; T134-Q137 PolarHBondContact O-N 2.84Å; T134-M178 HydrophobicContact CG2-CB 3.67Å; T134-M178 HydrophobicContact CG2-CE 4.05Å; T134-M178 HydrophobicContact CG2-CG 3.89Å; T134-L358 WeakPolarHBondContact CA-O 3.38Å; T134-L358 PolarHBondContact N-O 3.39Å; T134-L358 PolarHBondContact OG1-O 2.98Å
135	A	91.8	Very high	95	Very high	6 Å²	6	32.1 Å²	32.1	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-27.6	177.2	0	0	0	0	0	112.2	C129 C132 S133 Q137 G138 R368	C129-A135 WeakPolarHBondContact O-CB 3.32Å; C132-A135 HydrophobicContact CB-CB 4.07Å; C132-A135 WeakPolarHBondContact O-CB 3.45Å; C132-A135 PolarHBondContact O-N 3.5Å; S133-A135 PolarHBondContact O-N 2.98Å; S133-A135 VanDerWaalsContact O-N 3.16Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.19Å; A135-G138 PolarHBondContact O-N 2.78Å; A135-R368 PolarHBondContact O-NH1 3.21Å
136	Q	88.5	Confident	95.1	Very high	44 Å²	44	31.5 Å²	31.5	21%	0.206	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-29.2	177.1	-59.1	-157.2	-36.1	0	0	113	S133 T134 G138 F314 P315	S133-Q136 WeakPolarHBondContact O-CB 3.17Å; S133-Q136 PolarHBondContact O-N 3.41Å; T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.79Å; Q136-G138 PolarHBondContact O-N 3.1Å; Q136-F314 HydrophobicContact CG-CE2 3.99Å; Q136-P315 PolarHBondContact OE1-O 2.76Å
137	Q	88.7	Confident	95.3	Very high	58 Å²	58	30.1 Å²	30.1	27%	0.271	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.4	-178.7	-54	-59.1	-27	0	0	113.3	T134 A135 A359 V362	T134-Q137 PolarHBondContact O-N 2.84Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.19Å; Q137-A359 HydrophobicContact CG-CB 4.25Å; Q137-A359 WeakPolarHBondContact CG-O 3.43Å; Q137-V362 HydrophobicContact CB-CB 4.04Å; Q137-V362 HydrophobicContact CB-CG2 4.05Å
138	G	91.6	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.			trans	76.9	-151.6	-177.2	0	0	0	0	0	112.2	G124 C125 A135 Q136 D364	G124-G138 CarbonylContact C-O 3.58Å; G124-G138 VanDerWaalsContact CA-O 3.27Å; G124-G138 WeakPolarHBondContact CA-O 3.38Å; C125-G138 PolarHBondContact N-O 3.03Å; A135-G138 PolarHBondContact O-N 2.78Å; Q136-G138 PolarHBondContact O-N 3.1Å; G138-D364 WeakPolarHBondContact CA-OD1 3.31Å
139	F	95.1	Very high	95.7	Very high	45 Å²	45	25.6 Å²	25.6	20%	0.197	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.8	-176	170.9	-99.6	0	0	0	111.1	Q122 A126 D364 R365 T366	Q122-F139 HydrophobicContact CB-CE2 4.19Å; Q122-F139 HydrophobicContact CG-CE2 4.45Å; A126-F139 HydrophobicContact CB-CB 4.14Å; A126-F139 HydrophobicContact CB-CD1 4.5Å; A126-F139 HydrophobicContact CB-CD2 4.42Å; A126-F139 HydrophobicContact CB-CG 4.11Å; F139-D364 PolarHBondContact N-OD1 3.39Å; F139-D364 VanDerWaalsContact N-OD1 3.1Å; F139-R365 PolarHBondContact O-N 2.9Å; F139-T366 HydrophobicContact CB-CG2 3.87Å; F139-T366 HydrophobicContact CD1-CG2 4.25Å
140	N	96.1	Very high	95.8	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.091	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-64.9	175.3	-173.2	-76.9	0	0	0	112.4	Q102 V123 V362 I363 R365	Q102-N140 PolarHBondContact NE2-OD1 3.45Å; Q102-N140 PolarHBondContact OE1-ND2 3.05Å; V123-N140 HydrophobicContact CB-CB 4.23Å; V123-N140 HydrophobicContact CG1-CB 4.16Å; V123-N140 PolarHBondContact O-N 3.22Å; N140-V362 HydrophobicContact CB-CG1 4.33Å; N140-I363 WeakPolarHBondContact CB-O 3.31Å; N140-I363 PolarHBondContact ND2-O 2.85Å; N140-R365 PolarHBondContact O-NH1 3.4Å
141	R	97.6	Very high	95.9	Very high	64 Å²	64	21.4 Å²	21.4	24%	0.242	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	164.8	-173.2	67.5	178.5	-177.5	85	-7.9	112.4	V99 V123 E147	V99-R141 PolarHBondContact O-NH2 3.04Å; V123-R141 HydrophobicContact CB-CG 4.27Å; V123-R141 HydrophobicContact CG2-CG 3.92Å; V123-R141 PolarHBondContact N-O 2.94Å; R141-E147 IonicContact CZ-OE1 2.75Å; R141-E147 IonicContact CZ-OE2 2.7Å; R141-E147 IonicContact NH1-OE1 3.32Å; R141-E147 PolarHBondContact NH1-OE1 3.15Å; R141-E147 IonicContact NH1-OE2 3.73Å; R141-E147 PolarHBondContact NH1-OE2 2.88Å; R141-E147 IonicContact NH2-OE1 3.21Å; R141-E147 PolarHBondContact NH2-OE1 3.2Å; R141-E147 IonicContact NH2-OE2 2.7Å
142	N	98.4	Very high	96.1	Very high	56 Å²	56	20.5 Å²	20.5	30%	0.299	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	146.1	166	-77.6	-7	0	0	0	111.1	Q122 L183 N184	Q122-N142 PolarHBondContact NE2-OD1 3.01Å; N142-L183 PolarHBondContact ND2-O 3.03Å; N142-N184 HydrophobicContact CB-CB 4.26Å; N142-N184 VanDerWaalsContact CB-CG 3.49Å; N142-N184 WeakPolarHBondContact CB-OD1 3.24Å; N142-N184 VanDerWaalsContact CG-CG 3.44Å; N142-N184 PolarHBondContact ND2-OD1 3.35Å
143	L	98.6	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-77	142.6	168	-65.9	178.6	0	0	0	110.1	V99 V104 S120 S121 V123 E147 I148 N184 N187	V99-L143 HydrophobicContact CB-CD2 4.2Å; V99-L143 HydrophobicContact CG1-CD2 3.93Å; V99-L143 HydrophobicContact CG2-CD2 4.29Å; V104-L143 HydrophobicContact CG1-CD1 4.29Å; V104-L143 HydrophobicContact CG1-CD2 4.19Å; V104-L143 HydrophobicContact CG2-CD1 4.2Å; S120-L143 WeakPolarHBondContact O-CD1 3.45Å; S121-L143 WeakPolarHBondContact O-CB 3.48Å; S121-L143 PolarHBondContact O-N 3.21Å; V123-L143 HydrophobicContact CG2-CD2 3.53Å; V123-L143 HydrophobicContact CG2-CG 4.37Å; L143-E147 WeakPolarHBondContact CA-OE2 3.34Å; L143-E147 HydrophobicContact CB-CB 4Å; L143-E147 HydrophobicContact CD2-CB 4.07Å; L143-E147 HydrophobicContact CG-CB 4.48Å; L143-I148 HydrophobicContact CB-CD1 4.26Å; L143-I148 HydrophobicContact CB-CG1 3.72Å; L143-I148 HydrophobicContact CD1-CG1 4.33Å; L143-N184 PolarHBondContact N-ND2 3.42Å; L143-N184 PolarHBondContact O-ND2 2.79Å; L143-N187 WeakPolarHBondContact O-CB 3.45Å; L143-N187 PolarHBondContact O-ND2 2.66Å
144	R	98.6	Very high	96.5	Very high	83 Å²	83	21.2 Å²	21.2	31%	0.313	10%	0.095	S	C	.	.	P	Polyproline II helix	trans	-72.2	165.2	170.9	-62.5	-174.9	-64.1	151.6	6.3	110.9	D22 S146 E147 I148	D22-R144 IonicContact OD2-NH1 3.73Å; R144-S146 VanDerWaalsContact C-N 3.32Å; R144-S146 PolarHBondContact O-N 3.36Å; R144-E147 HydrophobicContact CB-CG 4.21Å; R144-E147 PolarHBondContact N-OE2 3.01Å; R144-E147 WeakPolarHBondContact O-CB 3.46Å; R144-E147 PolarHBondContact O-N 2.78Å; R144-I148 WeakPolarHBondContact O-CG1 3.37Å; R144-I148 PolarHBondContact O-N 3.44Å
145	V	98.8	Very high	96.7	Very high	8 Å²	8	21 Å²	21	5%	0.048	9%	0.093	C	C	.	.	H	α-helix	trans	-54	-49.7	176.9	178.3	0	0	0	0	110.5	L21 D22 E147 I148 I149 N187 P190 A191 I194	L21-V145 WeakPolarHBondContact O-CG1 3.42Å; D22-V145 HydrophobicContact CB-CB 4.47Å; D22-V145 PolarHBondContact OD1-N 3.21Å; V145-E147 PolarHBondContact O-N 3.03Å; V145-I148 PolarHBondContact O-N 2.79Å; V145-I149 HydrophobicContact CG1-CG2 4.48Å; V145-I149 WeakPolarHBondContact O-CG2 3.47Å; V145-I149 PolarHBondContact O-N 2.97Å; V145-N187 HydrophobicContact CG2-CB 4.03Å; V145-N187 PolarHBondContact N-OD1 3.33Å; V145-P190 HydrophobicContact CG1-CB 4.13Å; V145-P190 HydrophobicContact CG2-CB 3.82Å; V145-P190 HydrophobicContact CG2-CG 4.14Å; V145-A191 HydrophobicContact CG1-CB 4.34Å; V145-I194 HydrophobicContact CG1-CD1 4.11Å
146	S	98.6	Very high	97	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-26.4	177.7	55.2	0	0	0	0	113.8	N19 L21 D22 P80 R144 G150	N19-S146 VanDerWaalsContact ND2-CB 3.32Å; N19-S146 WeakPolarHBondContact ND2-CB 3.42Å; L21-S146 WeakPolarHBondContact O-CA 3.44Å; L21-S146 PolarHBondContact O-N 3.3Å; D22-S146 VanDerWaalsContact CG-CB 3.41Å; D22-S146 VanDerWaalsContact OD1-CB 3.22Å; D22-S146 WeakPolarHBondContact OD1-CB 3.41Å; D22-S146 PolarHBondContact OD1-N 3.18Å; D22-S146 PolarHBondContact OD1-OG 3.07Å; D22-S146 WeakPolarHBondContact OD2-CB 3.48Å; D22-S146 PolarHBondContact OD2-OG 3.01Å; P80-S146 WeakPolarHBondContact CD-O 3.31Å; R144-S146 VanDerWaalsContact C-N 3.32Å; R144-S146 PolarHBondContact O-N 3.36Å; S146-G150 WeakPolarHBondContact O-CA 3.5Å; S146-G150 PolarHBondContact O-N 2.82Å
147	E	98.7	Very high	97.4	Very high	9 Å²	9	22.5 Å²	22.5	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-82.9	-27.3	176.3	-62.8	174.4	142.2	0	0	112.3	P80 V99 R141 L143 R144 V145 Q151	P80-E147 HydrophobicContact CG-CB 4.24Å; P80-E147 HydrophobicContact CG-CG 4.17Å; V99-E147 HydrophobicContact CG1-CB 4.37Å; V99-E147 HydrophobicContact CG1-CG 4.31Å; R141-E147 IonicContact CZ-OE1 2.75Å; R141-E147 IonicContact CZ-OE2 2.7Å; R141-E147 IonicContact NH1-OE1 3.32Å; R141-E147 PolarHBondContact NH1-OE1 3.15Å; R141-E147 IonicContact NH1-OE2 3.73Å; R141-E147 PolarHBondContact NH1-OE2 2.88Å; R141-E147 IonicContact NH2-OE1 3.21Å; R141-E147 PolarHBondContact NH2-OE1 3.2Å; R141-E147 IonicContact NH2-OE2 2.7Å; L143-E147 WeakPolarHBondContact CA-OE2 3.34Å; L143-E147 HydrophobicContact CB-CB 4Å; L143-E147 HydrophobicContact CD2-CB 4.07Å; L143-E147 HydrophobicContact CG-CB 4.48Å; R144-E147 HydrophobicContact CB-CG 4.21Å; R144-E147 PolarHBondContact N-OE2 3.01Å; R144-E147 WeakPolarHBondContact O-CB 3.46Å; R144-E147 PolarHBondContact O-N 2.78Å; V145-E147 PolarHBondContact O-N 3.03Å; E147-Q151 WeakPolarHBondContact O-CG 3.42Å; E147-Q151 PolarHBondContact O-NE2 3.27Å
148	I	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-81.7	-58.1	174.6	-61.2	170.9	0	0	0	110	V119 L143 R144 V145 G150 Q151 M175 N187 V188 A191 M195	V119-I148 HydrophobicContact CG1-CG2 3.82Å; L143-I148 HydrophobicContact CB-CD1 4.26Å; L143-I148 HydrophobicContact CB-CG1 3.72Å; L143-I148 HydrophobicContact CD1-CG1 4.33Å; R144-I148 WeakPolarHBondContact O-CG1 3.37Å; R144-I148 PolarHBondContact O-N 3.44Å; V145-I148 PolarHBondContact O-N 2.79Å; I148-G150 PolarHBondContact O-N 2.97Å; I148-Q151 WeakPolarHBondContact O-CB 3.46Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.14Å; I148-M175 HydrophobicContact CG2-CE 3.89Å; I148-N187 HydrophobicContact CD1-CB 3.9Å; I148-V188 HydrophobicContact CD1-CG2 3.82Å; I148-A191 HydrophobicContact CB-CB 3.87Å; I148-A191 HydrophobicContact CG2-CB 3.58Å; I148-M195 HydrophobicContact CG2-CE 4.19Å
149	I	98.8	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-26.1	-179.7	-160.5	58.5	0	0	0	111.9	L21 Y50 V145 Q151 V152 W153 A191 I194 M195 F201	L21-I149 HydrophobicContact CB-CG2 4.26Å; L21-I149 HydrophobicContact CD2-CG2 4.42Å; L21-I149 VanDerWaalsContact O-CG2 3.26Å; L21-I149 WeakPolarHBondContact O-CG2 3.45Å; Y50-I149 HydrophobicContact CE1-CG1 4.19Å; V145-I149 HydrophobicContact CG1-CG2 4.48Å; V145-I149 WeakPolarHBondContact O-CG2 3.47Å; V145-I149 PolarHBondContact O-N 2.97Å; I149-Q151 PolarHBondContact O-N 3.07Å; I149-V152 HydrophobicContact CD1-CB 4.21Å; I149-V152 HydrophobicContact CD1-CG2 4.12Å; I149-V152 PolarHBondContact O-N 3.27Å; I149-V152 VanDerWaalsContact O-N 3.14Å; I149-W153 WeakPolarHBondContact O-CB 3.38Å; I149-W153 PolarHBondContact O-N 3.45Å; I149-A191 HydrophobicContact CB-CB 4.28Å; I149-I194 HydrophobicContact CD1-CB 4.07Å; I149-I194 HydrophobicContact CD1-CG2 3.92Å; I149-I194 HydrophobicContact CG1-CB 4.04Å; I149-I194 HydrophobicContact CG1-CD1 4.3Å; I149-I194 HydrophobicContact CG1-CG2 3.71Å; I149-I194 HydrophobicContact CG2-CD1 4.35Å; I149-M195 HydrophobicContact CD1-CE 4.1Å; I149-M195 HydrophobicContact CD1-CG 3.62Å; I149-F201 HydrophobicContact CD1-CD2 3.98Å; I149-F201 HydrophobicContact CD1-CE2 3.66Å; I149-F201 HydrophobicContact CG1-CE2 4.07Å
150	G	98.7	Very high	98.1	Very high	1 Å²	1	24 Å²	24	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-29.3	172.9	0	0	0	0	0	113.4	S146 I148 W153 R154	S146-G150 WeakPolarHBondContact O-CA 3.5Å; S146-G150 PolarHBondContact O-N 2.82Å; I148-G150 PolarHBondContact O-N 2.97Å; G150-W153 PolarHBondContact O-N 3.14Å; G150-R154 WeakPolarHBondContact O-CB 3.48Å; G150-R154 PolarHBondContact O-N 2.89Å
151	Q	98.9	Very high	97.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-46.2	172.1	-66.8	169.4	63.7	0	0	110.7	I97 T106 V119 S120 E147 I148 I149 A155	I97-Q151 HydrophobicContact CD1-CB 4.24Å; I97-Q151 HydrophobicContact CD1-CG 3.76Å; T106-Q151 HydrophobicContact CG2-CB 4.07Å; T106-Q151 WeakPolarHBondContact OG1-CB 3.44Å; T106-Q151 WeakPolarHBondContact OG1-CG 3.23Å; T106-Q151 PolarHBondContact OG1-OE1 3.33Å; V119-Q151 HydrophobicContact CG1-CB 4.2Å; S120-Q151 PolarHBondContact O-NE2 3.29Å; E147-Q151 WeakPolarHBondContact O-CG 3.42Å; E147-Q151 PolarHBondContact O-NE2 3.27Å; I148-Q151 WeakPolarHBondContact O-CB 3.46Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.14Å; I149-Q151 PolarHBondContact O-N 3.07Å; Q151-A155 VanDerWaalsContact O-CB 3.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 2.97Å
152	V	98.8	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-45.2	176.2	-168.4	0	0	0	0	111	L117 V119 I149 A156 I170 V173 M195 F201	L117-V152 HydrophobicContact CD2-CB 4.18Å; L117-V152 HydrophobicContact CD2-CG1 4.34Å; L117-V152 HydrophobicContact CD2-CG2 4.08Å; V119-V152 HydrophobicContact CG2-CG2 4Å; I149-V152 HydrophobicContact CD1-CB 4.21Å; I149-V152 HydrophobicContact CD1-CG2 4.12Å; I149-V152 PolarHBondContact O-N 3.27Å; I149-V152 VanDerWaalsContact O-N 3.14Å; V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.24Å; V152-A156 PolarHBondContact O-N 3.49Å; V152-I170 HydrophobicContact CG1-CD1 3.92Å; V152-V173 HydrophobicContact CG1-CG2 4.46Å; V152-V173 HydrophobicContact CG2-CG2 4.45Å; V152-M195 HydrophobicContact CG2-CE 3.87Å; V152-M195 HydrophobicContact CG2-CG 4.46Å; V152-F201 HydrophobicContact CB-CD2 4.48Å; V152-F201 HydrophobicContact CB-CE2 3.85Å; V152-F201 HydrophobicContact CB-CZ 3.99Å; V152-F201 HydrophobicContact CG1-CD1 4.11Å; V152-F201 HydrophobicContact CG1-CD2 3.81Å; V152-F201 HydrophobicContact CG1-CE1 3.87Å; V152-F201 HydrophobicContact CG1-CE2 3.55Å; V152-F201 HydrophobicContact CG1-CG 4.08Å; V152-F201 HydrophobicContact CG1-CZ 3.59Å
153	W	98.8	Very high	96.9	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-45.9	179	-173.6	96.1	0	0	0	112.1	L21 M49 C53 D55 A79 I149 G150 A156 K157 F201	L21-W153 HydrophobicContact CD2-CG 4.43Å; M49-W153 VanDerWaalsContact O-CD1 3.3Å; M49-W153 PolarHBondContact O-NE1 2.8Å; C53-W153 HydrophobicContact CB-CZ2 4.31Å; C53-W153 WeakPolarHBondContact O-CZ2 3.36Å; D55-W153 HydrophobicContact CB-CH2 3.83Å; D55-W153 HydrophobicContact CB-CZ2 3.79Å; D55-W153 WeakPolarHBondContact OD2-CH2 3.49Å; A79-W153 HydrophobicContact CB-CD2 4.14Å; A79-W153 HydrophobicContact CB-CE3 3.44Å; A79-W153 VanDerWaalsContact CB-CE3 3.44Å; A79-W153 HydrophobicContact CB-CZ3 3.8Å; I149-W153 WeakPolarHBondContact O-CB 3.38Å; I149-W153 PolarHBondContact O-N 3.45Å; G150-W153 PolarHBondContact O-N 3.14Å; W153-A156 PolarHBondContact O-N 3.35Å; W153-K157 HydrophobicContact CH2-CD 3.42Å; W153-K157 VanDerWaalsContact CH2-CD 3.42Å; W153-K157 HydrophobicContact CZ2-CD 4.13Å; W153-K157 HydrophobicContact CZ3-CD 3.66Å; W153-K157 WeakPolarHBondContact O-CB 3.45Å; W153-K157 PolarHBondContact O-N 2.88Å; W153-F201 HydrophobicContact CB-CZ 4.23Å
154	R	98.4	Very high	96.4	Very high	46 Å²	46	30.1 Å²	30.1	17%	0.174	15%	0.154	C	C	.	.	H	α-helix	trans	-70.5	-42.9	-178.1	-166	68.6	75	-179.1	4.2	111.4	A79 P80 V82 G150 K157 I158	A79-R154 VanDerWaalsContact C-NH2 3.33Å; A79-R154 PolarHBondContact O-NH2 3.42Å; P80-R154 VanDerWaalsContact O-CZ 3.22Å; P80-R154 PolarHBondContact O-NE 3.17Å; P80-R154 PolarHBondContact O-NH2 3.17Å; V82-R154 HydrophobicContact CG2-CG 3.61Å; G150-R154 WeakPolarHBondContact O-CB 3.48Å; G150-R154 PolarHBondContact O-N 2.89Å; R154-K157 PolarHBondContact O-N 3.36Å; R154-I158 HydrophobicContact CG-CD1 4.12Å; R154-I158 WeakPolarHBondContact O-CG1 3.48Å; R154-I158 PolarHBondContact O-N 2.95Å
155	A	98.3	Very high	96	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-44.5	173.4	0	0	0	0	0	111.7	W95 L117 Q151 K157 I158 V159 I170	W95-A155 HydrophobicContact CE3-CB 4.23Å; W95-A155 HydrophobicContact CH2-CB 4Å; W95-A155 HydrophobicContact CZ3-CB 3.54Å; L117-A155 HydrophobicContact CD1-CB 3.56Å; L117-A155 HydrophobicContact CD2-CB 3.78Å; L117-A155 HydrophobicContact CG-CB 4.36Å; Q151-A155 VanDerWaalsContact O-CB 3.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 2.97Å; A155-K157 VanDerWaalsContact C-N 3.33Å; A155-K157 PolarHBondContact O-N 3.36Å; A155-I158 PolarHBondContact O-N 3.47Å; A155-V159 WeakPolarHBondContact O-CB 3.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.29Å; A155-V159 PolarHBondContact O-N 3.32Å; A155-I170 HydrophobicContact CB-CD1 4.08Å
156	A	98.3	Very high	95.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-39.4	175.7	0	0	0	0	0	112.3	V152 W153 G160 A161 P169 I170 F201	V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.24Å; V152-A156 PolarHBondContact O-N 3.49Å; W153-A156 PolarHBondContact O-N 3.35Å; A156-G160 CarbonylContact O-C 3.52Å; A156-G160 WeakPolarHBondContact O-CA 3.28Å; A156-G160 PolarHBondContact O-N 2.96Å; A156-A161 PolarHBondContact O-N 2.88Å; A156-P169 HydrophobicContact CB-CG 3.8Å; A156-I170 HydrophobicContact CB-CD1 4.17Å; A156-F201 HydrophobicContact CB-CE1 3.87Å
157	K	98	Very high	95.1	Very high	82 Å²	82	39.7 Å²	39.7	36%	0.357	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-43.8	176.3	-167.8	165.6	-175.2	136.9	0	111.9	C53 D55 W153 R154 A155	C53-K157 HydrophobicContact CB-CB 3.72Å; C53-K157 HydrophobicContact CB-CD 4.11Å; C53-K157 HydrophobicContact CB-CG 3.86Å; C53-K157 PolarHBondContact O-NZ 2.64Å; C53-K157 PolarHBondContact SG-N 2.7Å; D55-K157 IonicContact OD1-NZ 3.24Å; D55-K157 PolarHBondContact OD1-NZ 3.03Å; D55-K157 IonicContact OD2-NZ 3.48Å; D55-K157 PolarHBondContact OD2-NZ 2.69Å; W153-K157 HydrophobicContact CH2-CD 3.42Å; W153-K157 VanDerWaalsContact CH2-CD 3.42Å; W153-K157 HydrophobicContact CZ2-CD 4.13Å; W153-K157 HydrophobicContact CZ3-CD 3.66Å; W153-K157 WeakPolarHBondContact O-CB 3.45Å; W153-K157 PolarHBondContact O-N 2.88Å; R154-K157 PolarHBondContact O-N 3.36Å; A155-K157 VanDerWaalsContact C-N 3.33Å; A155-K157 PolarHBondContact O-N 3.36Å
158	I	97.3	Very high	94.8	Very high	68 Å²	68	46 Å²	46	35%	0.349	25%	0.249	S	C	.	.	H	α-helix	trans	-71.1	-45.5	-178.6	-67.8	167.6	0	0	0	111.8	V82 W95 R154 A155	V82-I158 HydrophobicContact CG2-CD1 3.87Å; W95-I158 HydrophobicContact CZ2-CB 4.35Å; W95-I158 HydrophobicContact CZ2-CG2 3.87Å; R154-I158 HydrophobicContact CG-CD1 4.12Å; R154-I158 WeakPolarHBondContact O-CG1 3.48Å; R154-I158 PolarHBondContact O-N 2.95Å; A155-I158 PolarHBondContact O-N 3.47Å
159	V	96.7	Very high	94.5	Very high	53 Å²	53	46.8 Å²	46.8	32%	0.321	25%	0.254	S	S	.	.	H	α-helix	trans	-71.7	-34.7	179.6	175.1	0	0	0	0	111.2	W95 Y108 A155 P169	W95-V159 HydrophobicContact CH2-CG2 4.02Å; W95-V159 HydrophobicContact CZ2-CG2 4.48Å; Y108-V159 HydrophobicContact CD1-CG2 4.5Å; Y108-V159 HydrophobicContact CD2-CG2 4.15Å; Y108-V159 HydrophobicContact CE1-CG2 4.39Å; Y108-V159 HydrophobicContact CE2-CG1 4.33Å; Y108-V159 HydrophobicContact CE2-CG2 4.01Å; Y108-V159 HydrophobicContact CG-CG2 4.38Å; A155-V159 WeakPolarHBondContact O-CB 3.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.29Å; A155-V159 PolarHBondContact O-N 3.32Å; V159-P169 HydrophobicContact CB-CB 3.87Å; V159-P169 HydrophobicContact CG1-CB 3.64Å
160	G	94.8	Very high	94.5	Very high	12 Å²	12	47.2 Å²	47.2	12%	0.124	26%	0.256	C	S	.	.			trans	129.4	116.1	176.2	0	0	0	0	0	112.1	A156 P169	A156-G160 CarbonylContact O-C 3.52Å; A156-G160 WeakPolarHBondContact O-CA 3.28Å; A156-G160 PolarHBondContact O-N 2.96Å; G160-P169 VanDerWaalsContact O-CB 3.28Å; G160-P169 WeakPolarHBondContact O-CB 3.34Å; G160-P169 WeakPolarHBondContact O-CD 3.16Å; G160-P169 VanDerWaalsContact O-CG 3.26Å; G160-P169 WeakPolarHBondContact O-CG 3.38Å
161	A	89.3	Confident	94.4	Very high	5 Å²	5	48.2 Å²	48.2	4%	0.041	26%	0.262	C	S	.	.			trans	-59.7	146.7	-175.5	0	0	0	0	0	113	C53 A156 K163 V164 T165	C53-A161 HydrophobicContact CB-CB 4.03Å; A156-A161 PolarHBondContact O-N 2.88Å; A161-K163 VanDerWaalsContact C-N 3.31Å; A161-K163 PolarHBondContact O-N 3.07Å; A161-V164 HydrophobicContact CB-CB 4.02Å; A161-V164 HydrophobicContact CB-CG2 3.68Å; A161-V164 WeakPolarHBondContact O-CA 3.41Å; A161-V164 WeakPolarHBondContact O-CB 3.38Å; A161-V164 PolarHBondContact O-N 3.49Å; A161-T165 PolarHBondContact O-N 3.16Å; A161-T165 PolarHBondContact O-OG1 2.83Å
162	A	87.4	Confident	94.4	Very high	31 Å²	31	49.5 Å²	49.5	26%	0.256	27%	0.268	S	S	.	.	H	α-helix	trans	-57.1	-39.3	-171.5	0	0	0	0	0	114.3	H51 G166 Q167	H51-A162 PolarHBondContact O-N 3.15Å; A162-G166 CarbonylContact O-C 3.53Å; A162-G166 VanDerWaalsContact O-CA 3.23Å; A162-G166 WeakPolarHBondContact O-CA 3.35Å; A162-G166 PolarHBondContact O-N 3.44Å; A162-Q167 WeakPolarHBondContact CA-O 3.31Å
163	K	90.3	Very high	94.4	Very high	129 Å²	129	49.5 Å²	49.5	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-90.2	-3.5	177.6	-65.4	-65.5	-174.1	-178.5	0	114	H51 Y52 A161	H51-K163 HydrophobicContact CB-CG 3.81Å; H51-K163 PolarHBondContact O-N 3.47Å; H51-K163 VanDerWaalsContact O-N 3.08Å; Y52-K163 HydrophobicContact CD1-CB 3.7Å; Y52-K163 HydrophobicContact CD2-CB 4.3Å; Y52-K163 HydrophobicContact CE1-CB 3.32Å; Y52-K163 HydrophobicContact CE1-CG 4.2Å; Y52-K163 HydrophobicContact CE2-CB 3.97Å; Y52-K163 HydrophobicContact CE2-CG 4Å; Y52-K163 HydrophobicContact CG-CB 4.17Å; Y52-K163 VanDerWaalsContact CZ-CB 3.47Å; A161-K163 VanDerWaalsContact C-N 3.31Å; A161-K163 PolarHBondContact O-N 3.07Å
164	V	88.2	Confident	94.4	Very high	102 Å²	102	50.1 Å²	50.1	62%	0.618	27%	0.273	S	S	*	.	H	α-helix	trans	-91.6	-44.5	174.1	178.3	0	0	0	0	110.3	A161	A161-V164 HydrophobicContact CB-CB 4.02Å; A161-V164 HydrophobicContact CB-CG2 3.68Å; A161-V164 WeakPolarHBondContact O-CA 3.41Å; A161-V164 WeakPolarHBondContact O-CB 3.38Å; A161-V164 PolarHBondContact O-N 3.49Å
165	T	90.6	Very high	94.5	Very high	75 Å²	75	48.1 Å²	48.1	46%	0.46	27%	0.265	S	S	.	.	H	α-helix	trans	-95.9	-17	-179.4	64.2	0	0	0	0	113.6	A161 Q167	A161-T165 PolarHBondContact O-N 3.16Å; A161-T165 PolarHBondContact O-OG1 2.83Å; T165-Q167 PolarHBondContact O-N 3.07Å; T165-Q167 PolarHBondContact OG1-N 3.16Å; T165-Q167 PolarHBondContact OG1-O 3.38Å; T165-Q167 VanDerWaalsContact OG1-O 3.07Å
166	G	87.9	Confident	94.4	Very high	67 Å²	67	49.9 Å²	49.9	69%	0.691	27%	0.274	S	S	*	.	S	Bend	trans	77.5	-0.9	-171.7	0	0	0	0	0	114.1	A162	A162-G166 CarbonylContact O-C 3.53Å; A162-G166 VanDerWaalsContact O-CA 3.23Å; A162-G166 WeakPolarHBondContact O-CA 3.35Å; A162-G166 PolarHBondContact O-N 3.44Å
167	Q	90.4	Very high	94.4	Very high	151 Å²	151	50.5 Å²	50.5	71%	0.706	28%	0.28	S	S	*	.	S	Bend	trans	-122.2	144	178.8	-65.5	-175.2	-8	0	0	110.4	A162 T165 P169	A162-Q167 WeakPolarHBondContact CA-O 3.31Å; T165-Q167 PolarHBondContact O-N 3.07Å; T165-Q167 PolarHBondContact OG1-N 3.16Å; T165-Q167 PolarHBondContact OG1-O 3.38Å; T165-Q167 VanDerWaalsContact OG1-O 3.07Å; Q167-P169 VanDerWaalsContact O-CD 3.3Å; Q167-P169 WeakPolarHBondContact O-CD 3.5Å
168	R	91.9	Very high	94.4	Very high	142 Å²	142	46.6 Å²	46.6	54%	0.536	26%	0.263	S	S	.	.			trans	-69.6	119.6	175.1	-72.5	-179.8	175.4	-132.8	5.7	108.9	I170 T171 F201 G202	R168-I170 PolarHBondContact O-N 2.81Å; R168-T171 HydrophobicContact CB-CG2 4.38Å; R168-F201 PolarHBondContact NH1-O 2.88Å; R168-G202 PolarHBondContact NH1-O 2.9Å; R168-G202 PolarHBondContact NH2-O 2.86Å
169	P	93.3	Very high	94.4	Very high	16 Å²	16	44.1 Å²	44.1	10%	0.104	25%	0.254	C	S	.	.	S	Bend	trans	-67.3	-28.2	178.3	25.5	-33.2	0	0	0	112	Y108 A115 A156 V159 G160 Q167	Y108-P169 WeakPolarHBondContact CE2-O 3.19Å; A115-P169 VanDerWaalsContact CB-O 3.31Å; A115-P169 WeakPolarHBondContact CB-O 3.29Å; A156-P169 HydrophobicContact CB-CG 3.8Å; V159-P169 HydrophobicContact CB-CB 3.87Å; V159-P169 HydrophobicContact CG1-CB 3.64Å; G160-P169 VanDerWaalsContact O-CB 3.28Å; G160-P169 WeakPolarHBondContact O-CB 3.34Å; G160-P169 WeakPolarHBondContact O-CD 3.16Å; G160-P169 VanDerWaalsContact O-CG 3.26Å; G160-P169 WeakPolarHBondContact O-CG 3.38Å; Q167-P169 VanDerWaalsContact O-CD 3.3Å; Q167-P169 WeakPolarHBondContact O-CD 3.5Å
170	I	98.1	Very high	94.5	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.041	24%	0.24	C	C	.	.			trans	-133.7	127.9	-176.9	-61	160.1	0	0	0	107.4	L117 V152 A155 A156 R168 N172 V173 L203	L117-I170 HydrophobicContact CB-CD1 4.28Å; L117-I170 HydrophobicContact CB-CG1 4.42Å; L117-I170 HydrophobicContact CB-CG2 4Å; L117-I170 HydrophobicContact CD2-CD1 3.87Å; L117-I170 HydrophobicContact CG-CD1 4.47Å; V152-I170 HydrophobicContact CG1-CD1 3.92Å; A155-I170 HydrophobicContact CB-CD1 4.08Å; A156-I170 HydrophobicContact CB-CD1 4.17Å; R168-I170 PolarHBondContact O-N 2.81Å; I170-N172 WeakPolarHBondContact CG2-O 3.47Å; I170-V173 HydrophobicContact CG2-CG2 3.93Å; I170-L203 WeakPolarHBondContact O-CD2 3.4Å
171	T	98.1	Very high	94.7	Very high	23 Å²	23	41.4 Å²	41.4	14%	0.141	24%	0.235	C	C	.	.	S	Bend	trans	-111.3	-18.7	177.5	60.2	0	0	0	0	112.5	R114 A115 R168 R207	R114-T171 WeakPolarHBondContact CA-OG1 3.35Å; R114-T171 WeakPolarHBondContact CB-OG1 3.38Å; A115-T171 PolarHBondContact N-OG1 3.06Å; A115-T171 PolarHBondContact O-N 3.33Å; A115-T171 PolarHBondContact O-OG1 3.46Å; A115-T171 VanDerWaalsContact O-OG1 3.12Å; R168-T171 HydrophobicContact CB-CG2 4.38Å; T171-R207 WeakPolarHBondContact O-CB 3.44Å; T171-R207 WeakPolarHBondContact O-CD 3.4Å
172	N	98.6	Very high	95.1	Very high	26 Å²	26	41.3 Å²	41.3	14%	0.139	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.5	-177.6	-68.2	69.4	0	0	0	110.2	A115 T116 L117 I170 R207	A115-N172 PolarHBondContact O-N 3.29Å; T116-N172 CarbonylContact C-O 3.59Å; T116-N172 WeakPolarHBondContact CA-O 3.17Å; T116-N172 HydrophobicContact CG2-CB 3.98Å; L117-N172 PolarHBondContact N-O 3.36Å; I170-N172 WeakPolarHBondContact CG2-O 3.47Å; N172-R207 CarbonylContact C-O 3.56Å; N172-R207 VanDerWaalsContact CA-O 3.24Å; N172-R207 WeakPolarHBondContact CA-O 3.49Å; N172-R207 HydrophobicContact CB-CB 4.48Å; N172-R207 WeakPolarHBondContact ND2-CB 3.42Å
173	V	98.8	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.3	170.6	174.9	0	0	0	0	108.5	L117 V119 V152 I170 M175 M195 L203 R207 V208 T209	L117-V173 HydrophobicContact CB-CG2 4.41Å; L117-V173 CarbonylContact O-C 3.29Å; L117-V173 WeakPolarHBondContact O-CA 3.27Å; V119-V173 HydrophobicContact CB-CG1 4.43Å; V119-V173 HydrophobicContact CG2-CG1 3.82Å; V152-V173 HydrophobicContact CG1-CG2 4.46Å; V152-V173 HydrophobicContact CG2-CG2 4.45Å; I170-V173 HydrophobicContact CG2-CG2 3.93Å; V173-M175 HydrophobicContact CG1-SD 4.27Å; V173-M195 HydrophobicContact CB-SD 4.16Å; V173-M195 HydrophobicContact CG1-CE 4.2Å; V173-M195 HydrophobicContact CG1-SD 3.71Å; V173-M195 HydrophobicContact CG2-SD 4.4Å; V173-L203 HydrophobicContact CB-CD1 4.24Å; V173-L203 HydrophobicContact CG2-CD1 3.49Å; V173-L203 VanDerWaalsContact CG2-CD1 3.49Å; V173-R207 PolarHBondContact N-O 3.13Å; V173-V208 CarbonylContact O-C 3.58Å; V173-V208 VanDerWaalsContact O-CA 3.31Å; V173-V208 WeakPolarHBondContact O-CA 3.33Å; V173-T209 PolarHBondContact O-N 3.39Å
174	V	98.8	Very high	96.1	Very high	15 Å²	15	37.1 Å²	37.1	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.2	173.9	-59.4	0	0	0	0	110	T116 L117 C118 V119 M176 T209	T116-V174 HydrophobicContact CG2-CG1 3.9Å; T116-V174 HydrophobicContact CG2-CG2 4.06Å; L117-V174 PolarHBondContact O-N 3.26Å; C118-V174 WeakPolarHBondContact CA-O 3.44Å; C118-V174 HydrophobicContact CB-CG2 4Å; V119-V174 PolarHBondContact N-O 3.45Å; V174-M176 HydrophobicContact CB-CB 4.41Å; V174-M176 HydrophobicContact CB-CG 4.04Å; V174-M176 HydrophobicContact CB-SD 3.91Å; V174-M176 HydrophobicContact CG1-SD 4.42Å; V174-M176 HydrophobicContact CG2-CB 4.1Å; V174-M176 HydrophobicContact CG2-CG 4.22Å; V174-M176 HydrophobicContact CG2-SD 4.04Å; V174-M176 PolarHBondContact O-N 2.9Å; V174-T209 CarbonylContact C-O 3.48Å; V174-T209 WeakPolarHBondContact CA-O 3.39Å
175	M	98.7	Very high	96.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	65.3	173.7	-52	-56	-60.7	0	0	108.9	V119 I148 V173 P181 M192 M195 T209 L210	V119-M175 HydrophobicContact CB-CE 4.28Å; V119-M175 HydrophobicContact CB-SD 4.07Å; V119-M175 HydrophobicContact CG1-CE 3.95Å; V119-M175 HydrophobicContact CG1-SD 4.23Å; I148-M175 HydrophobicContact CG2-CE 3.89Å; V173-M175 HydrophobicContact CG1-SD 4.27Å; M175-P181 HydrophobicContact CB-CB 4.32Å; M175-P181 HydrophobicContact CB-CG 3.73Å; M175-M192 HydrophobicContact CG-SD 4.26Å; M175-M195 HydrophobicContact SD-CE 4.21Å; M175-T209 PolarHBondContact N-O 2.78Å; M175-L210 HydrophobicContact CB-CG 4.47Å
176	M	98.2	Very high	96.9	Very high	37 Å²	37	35.1 Å²	35.1	18%	0.182	20%	0.196	C	C	.	.			trans	-126	14.8	-176.9	-65.6	174	177.7	0	0	111.8	C118 V174 T209 A231 E278 R344	C118-M176 PolarHBondContact SG-O 3.23Å; C118-M176 VanDerWaalsContact SG-O 3.37Å; V174-M176 HydrophobicContact CB-CB 4.41Å; V174-M176 HydrophobicContact CB-CG 4.04Å; V174-M176 HydrophobicContact CB-SD 3.91Å; V174-M176 HydrophobicContact CG1-SD 4.42Å; V174-M176 HydrophobicContact CG2-CB 4.1Å; V174-M176 HydrophobicContact CG2-CG 4.22Å; V174-M176 HydrophobicContact CG2-SD 4.04Å; V174-M176 PolarHBondContact O-N 2.9Å; M176-T209 HydrophobicContact CE-CG2 4.3Å; M176-A231 HydrophobicContact CE-CB 3.82Å; M176-E278 WeakPolarHBondContact CE-OE1 3.48Å; M176-E278 VanDerWaalsContact SD-OE1 3.4Å; M176-R344 PolarHBondContact SD-NH1 3.3Å
177	G	97.2	Very high	97.4	Very high	14 Å²	14	33.7 Å²	33.7	14%	0.144	17%	0.173	C	C	.	.	S	Bend	trans	-76.3	-142.3	174.1	0	0	0	0	0	111.1	C118 V119	C118-G177 PolarHBondContact SG-N 3.18Å; V119-G177 WeakPolarHBondContact O-CA 3.31Å; V119-G177 PolarHBondContact O-N 3.08Å; V119-G177 VanDerWaalsContact O-N 3.08Å
178	M	97.9	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-78.3	132.8	176.7	-58.1	171	71.6	0	0	111.4	V104 E105 S120 S121 Q122 T134 L358 A359 V362	V104-M178 HydrophobicContact CB-SD 4.14Å; V104-M178 HydrophobicContact CG1-SD 4.33Å; E105-M178 HydrophobicContact CB-SD 4.32Å; E105-M178 HydrophobicContact CG-SD 4.42Å; S120-M178 CarbonylContact C-O 3.45Å; S120-M178 WeakPolarHBondContact CA-O 3.31Å; S120-M178 WeakPolarHBondContact OG-CB 3.35Å; S120-M178 PolarHBondContact OG-N 3.43Å; S121-M178 PolarHBondContact N-O 3.26Å; S121-M178 PolarHBondContact OG-O 3.03Å; Q122-M178 PolarHBondContact N-O 3.32Å; Q122-M178 VanDerWaalsContact N-O 3.11Å; T134-M178 HydrophobicContact CG2-CB 3.67Å; T134-M178 HydrophobicContact CG2-CE 4.05Å; T134-M178 HydrophobicContact CG2-CG 3.89Å; M178-L358 HydrophobicContact CG-CB 3.79Å; M178-L358 HydrophobicContact CG-CD1 4.42Å; M178-L358 HydrophobicContact SD-CB 4.41Å; M178-A359 WeakPolarHBondContact CE-O 3.38Å; M178-V362 HydrophobicContact CE-CG2 3.85Å
179	G	97.8	Very high	98.2	Very high	16 Å²	16	19.9 Å²	19.9	17%	0.165	12%	0.115	C	C	.	.	S	Bend	trans	99.2	158.3	172.8	0	0	0	0	0	115.5	S121 G124 P181	S121-G179 PolarHBondContact OG-O 3.17Å; G124-G179 WeakPolarHBondContact O-CA 3.34Å; G179-P181 WeakPolarHBondContact O-CD 3.4Å
180	E	98.5	Very high	98.4	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.023	11%	0.114	C	C	.	.			trans	-87.6	111.6	173	168.7	55.9	-125.3	0	0	110.1	L127 L182 L183 T212 S213 V215	L127-E180 HydrophobicContact CD1-CB 3.64Å; L127-E180 HydrophobicContact CD1-CG 3.77Å; L127-E180 HydrophobicContact CG-CB 4Å; L127-E180 HydrophobicContact CG-CG 4.4Å; E180-L182 VanDerWaalsContact C-N 3.28Å; E180-L182 HydrophobicContact CG-CB 4.45Å; E180-L182 PolarHBondContact O-N 3.21Å; E180-L182 VanDerWaalsContact OE1-CB 3.24Å; E180-L182 WeakPolarHBondContact OE1-CB 3.32Å; E180-L182 WeakPolarHBondContact OE1-CG 3.35Å; E180-L182 PolarHBondContact OE1-N 3.33Å; E180-L183 HydrophobicContact CB-CB 4.44Å; E180-L183 HydrophobicContact CB-CD1 4.11Å; E180-L183 HydrophobicContact CB-CG 4.24Å; E180-L183 HydrophobicContact CG-CB 4.24Å; E180-L183 HydrophobicContact CG-CD1 4.04Å; E180-L183 HydrophobicContact CG-CG 3.76Å; E180-L183 PolarHBondContact O-N 3.05Å; E180-L183 VanDerWaalsContact O-N 3.08Å; E180-T212 VanDerWaalsContact CD-OG1 3.26Å; E180-T212 VanDerWaalsContact OE1-CB 3.28Å; E180-T212 WeakPolarHBondContact OE1-CB 3.24Å; E180-T212 PolarHBondContact OE1-OG1 3.24Å; E180-T212 WeakPolarHBondContact OE2-CA 3.32Å; E180-T212 PolarHBondContact OE2-OG1 2.93Å; E180-S213 PolarHBondContact OE2-N 2.89Å; E180-V215 HydrophobicContact CG-CG2 3.96Å
181	P	98.7	Very high	98.5	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.019	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-59.9	-35.3	-175.2	-25.7	36.3	0	0	0	113.7	M175 G179 L183 N184 V188 L210 S211	M175-P181 HydrophobicContact CB-CB 4.32Å; M175-P181 HydrophobicContact CB-CG 3.73Å; G179-P181 WeakPolarHBondContact O-CD 3.4Å; P181-L183 PolarHBondContact O-N 3.48Å; P181-N184 CarbonylContact O-C 3.53Å; P181-N184 PolarHBondContact O-N 2.83Å; P181-V188 HydrophobicContact CB-CG1 4.18Å; P181-V188 HydrophobicContact CB-CG2 4.3Å; P181-L210 HydrophobicContact CB-CD1 3.85Å; P181-L210 HydrophobicContact CB-CD2 4.29Å; P181-L210 HydrophobicContact CB-CG 3.88Å; P181-L210 HydrophobicContact CG-CG 4.31Å; P181-S211 VanDerWaalsContact CD-O 3.31Å; P181-S211 WeakPolarHBondContact CD-O 3.41Å; P181-S211 WeakPolarHBondContact CG-O 3.33Å
182	L	98.6	Very high	98.5	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-69.2	-17.5	-179.5	-64.8	-169.9	0	0	0	113.6	E180 N184 L185 L210 T212 V215 A218 L219 L222	E180-L182 VanDerWaalsContact C-N 3.28Å; E180-L182 HydrophobicContact CG-CB 4.45Å; E180-L182 PolarHBondContact O-N 3.21Å; E180-L182 VanDerWaalsContact OE1-CB 3.24Å; E180-L182 WeakPolarHBondContact OE1-CB 3.32Å; E180-L182 WeakPolarHBondContact OE1-CG 3.35Å; E180-L182 PolarHBondContact OE1-N 3.33Å; L182-N184 PolarHBondContact O-N 2.73Å; L182-L185 HydrophobicContact CD2-CD2 3.94Å; L182-L210 HydrophobicContact CD2-CD1 4.4Å; L182-L210 HydrophobicContact CD2-CD2 3.93Å; L182-L210 HydrophobicContact CG-CD2 4.27Å; L182-T212 HydrophobicContact CD1-CG2 3.9Å; L182-T212 WeakPolarHBondContact CD1-OG1 3.49Å; L182-T212 HydrophobicContact CG-CG2 4.45Å; L182-T212 WeakPolarHBondContact CG-OG1 3.32Å; L182-V215 HydrophobicContact CB-CB 4.08Å; L182-V215 HydrophobicContact CB-CG2 4.48Å; L182-V215 HydrophobicContact CD1-CB 4.27Å; L182-A218 HydrophobicContact CB-CB 3.81Å; L182-A218 HydrophobicContact CD1-CB 4.41Å; L182-A218 WeakPolarHBondContact O-CB 3.5Å; L182-L219 HydrophobicContact CD1-CB 3.78Å; L182-L219 HydrophobicContact CD1-CD1 4.49Å; L182-L222 HydrophobicContact CD2-CB 4.2Å; L182-L222 HydrophobicContact CD2-CD2 3.96Å
183	L	98.4	Very high	98.5	Very high	70 Å²	70	20.2 Å²	20.2	37%	0.366	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-85	3	171.8	-65.5	179.6	0	0	0	112.8	L127 N142 E180 P181 V215	L127-L183 HydrophobicContact CD2-CD1 3.87Å; L127-L183 HydrophobicContact CG-CD1 4.47Å; N142-L183 PolarHBondContact ND2-O 3.03Å; E180-L183 HydrophobicContact CB-CB 4.44Å; E180-L183 HydrophobicContact CB-CD1 4.11Å; E180-L183 HydrophobicContact CB-CG 4.24Å; E180-L183 HydrophobicContact CG-CB 4.24Å; E180-L183 HydrophobicContact CG-CD1 4.04Å; E180-L183 HydrophobicContact CG-CG 3.76Å; E180-L183 PolarHBondContact O-N 3.05Å; E180-L183 VanDerWaalsContact O-N 3.08Å; P181-L183 PolarHBondContact O-N 3.48Å; L183-V215 HydrophobicContact CD2-CG1 3.92Å; L183-V215 HydrophobicContact CD2-CG2 3.98Å; L183-V215 HydrophobicContact CG-CG2 4.04Å
184	N	98.6	Very high	98.5	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.011	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-134.9	35.1	177.8	-166.1	16.9	0	0	0	113.4	S121 Q122 N142 L143 P181 L182 N186 N187 V188	S121-N184 PolarHBondContact O-ND2 2.74Å; Q122-N184 HydrophobicContact CG-CB 4.35Å; N142-N184 HydrophobicContact CB-CB 4.26Å; N142-N184 VanDerWaalsContact CB-CG 3.49Å; N142-N184 WeakPolarHBondContact CB-OD1 3.24Å; N142-N184 VanDerWaalsContact CG-CG 3.44Å; N142-N184 PolarHBondContact ND2-OD1 3.35Å; L143-N184 PolarHBondContact N-ND2 3.42Å; L143-N184 PolarHBondContact O-ND2 2.79Å; P181-N184 CarbonylContact O-C 3.53Å; P181-N184 PolarHBondContact O-N 2.83Å; L182-N184 PolarHBondContact O-N 2.73Å; N184-N186 PolarHBondContact O-N 3.26Å; N184-N186 VanDerWaalsContact O-N 3.12Å; N184-N187 PolarHBondContact O-N 3.02Å; N184-N187 PolarHBondContact OD1-ND2 2.9Å; N184-V188 HydrophobicContact CB-CG2 3.95Å; N184-V188 WeakPolarHBondContact O-CB 3.34Å; N184-V188 WeakPolarHBondContact O-CG2 3.3Å; N184-V188 PolarHBondContact O-N 3.45Å
185	L	98.5	Very high	98.5	Very high	13 Å²	13	19.5 Å²	19.5	7%	0.068	11%	0.109	C	C	.	.	H	α-helix	trans	-53	-37.4	-176.6	-74.1	176	0	0	0	114.2	L182 N187 V188 V189 A218 K221 L222	L182-L185 HydrophobicContact CD2-CD2 3.94Å; L185-N187 PolarHBondContact O-N 2.65Å; L185-N187 VanDerWaalsContact O-N 3.13Å; L185-V188 PolarHBondContact O-N 3.05Å; L185-V189 HydrophobicContact CD2-CG2 4.02Å; L185-V189 WeakPolarHBondContact O-CB 3.47Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.08Å; L185-A218 HydrophobicContact CD1-CB 3.91Å; L185-A218 WeakPolarHBondContact CD1-O 3.43Å; L185-K221 HydrophobicContact CD1-CB 4.15Å; L185-K221 HydrophobicContact CD1-CD 4.08Å; L185-K221 HydrophobicContact CD1-CG 4.23Å; L185-L222 HydrophobicContact CD2-CB 4.2Å; L185-L222 HydrophobicContact CD2-CD1 3.68Å
186	N	98.4	Very high	98.5	Very high	122 Å²	122	21.2 Å²	21.2	65%	0.652	12%	0.118	S	C	*	.	H	α-helix	trans	-58.2	-28.3	-179.3	-70	-3.4	0	0	0	113.2	N184 P190	N184-N186 PolarHBondContact O-N 3.26Å; N184-N186 VanDerWaalsContact O-N 3.12Å; N186-P190 WeakPolarHBondContact O-CD 3.37Å; N186-P190 WeakPolarHBondContact O-CG 3.34Å
187	N	98.8	Very high	98.5	Very high	37 Å²	37	20.3 Å²	20.3	20%	0.198	11%	0.114	C	C	.	.	H	α-helix	trans	-109.1	-33.3	179.7	-60	-69.5	0	0	0	112.5	L143 V145 I148 N184 L185 A191	L143-N187 WeakPolarHBondContact O-CB 3.45Å; L143-N187 PolarHBondContact O-ND2 2.66Å; V145-N187 HydrophobicContact CG2-CB 4.03Å; V145-N187 PolarHBondContact N-OD1 3.33Å; I148-N187 HydrophobicContact CD1-CB 3.9Å; N184-N187 PolarHBondContact O-N 3.02Å; N184-N187 PolarHBondContact OD1-ND2 2.9Å; L185-N187 PolarHBondContact O-N 2.65Å; L185-N187 VanDerWaalsContact O-N 3.13Å; N187-A191 WeakPolarHBondContact O-CB 3.19Å; N187-A191 PolarHBondContact O-N 3.24Å
188	V	98.8	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-42.3	-179.9	168.7	0	0	0	0	111.2	I148 P181 N184 L185 A191 M192 L210	I148-V188 HydrophobicContact CD1-CG2 3.82Å; P181-V188 HydrophobicContact CB-CG1 4.18Å; P181-V188 HydrophobicContact CB-CG2 4.3Å; N184-V188 HydrophobicContact CB-CG2 3.95Å; N184-V188 WeakPolarHBondContact O-CB 3.34Å; N184-V188 WeakPolarHBondContact O-CG2 3.3Å; N184-V188 PolarHBondContact O-N 3.45Å; L185-V188 PolarHBondContact O-N 3.05Å; V188-A191 PolarHBondContact O-N 2.77Å; V188-M192 HydrophobicContact CG1-CE 3.81Å; V188-M192 HydrophobicContact CG1-CG 4.44Å; V188-M192 HydrophobicContact CG1-SD 4.17Å; V188-M192 WeakPolarHBondContact O-CG 3.25Å; V188-M192 PolarHBondContact O-N 3.11Å; V188-L210 HydrophobicContact CG1-CD1 3.93Å
189	V	98.7	Very high	98.6	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-54	-179.6	173.9	0	0	0	0	111.4	L185 A191 M192 E193 L222 M225 I226	L185-V189 HydrophobicContact CD2-CG2 4.02Å; L185-V189 WeakPolarHBondContact O-CB 3.47Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.08Å; V189-A191 VanDerWaalsContact C-N 3.27Å; V189-A191 PolarHBondContact O-N 2.77Å; V189-M192 PolarHBondContact O-N 2.88Å; V189-M192 VanDerWaalsContact O-N 3.07Å; V189-E193 HydrophobicContact CG1-CG 4.32Å; V189-E193 WeakPolarHBondContact O-CG 3.46Å; V189-E193 PolarHBondContact O-N 2.93Å; V189-L222 HydrophobicContact CG2-CD1 3.92Å; V189-M225 HydrophobicContact CB-CE 3.94Å; V189-M225 HydrophobicContact CG1-CB 4.22Å; V189-M225 HydrophobicContact CG1-CE 4.05Å; V189-M225 HydrophobicContact CG2-CB 4.33Å; V189-M225 HydrophobicContact CG2-CE 3.81Å; V189-M225 HydrophobicContact CG2-SD 4.26Å; V189-I226 HydrophobicContact CG1-CB 4.18Å; V189-I226 HydrophobicContact CG1-CD1 4.5Å; V189-I226 HydrophobicContact CG1-CG2 4.1Å; V189-I226 HydrophobicContact CG2-CG2 4.09Å
190	P	98.7	Very high	98.6	Very high	14 Å²	14	26.8 Å²	26.8	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-35.8	177.7	-25	34.7	0	0	0	113.8	N24 V145 N186 E193 I194	N24-P190 HydrophobicContact CB-CB 4.34Å; V145-P190 HydrophobicContact CG1-CB 4.13Å; V145-P190 HydrophobicContact CG2-CB 3.82Å; V145-P190 HydrophobicContact CG2-CG 4.14Å; N186-P190 WeakPolarHBondContact O-CD 3.37Å; N186-P190 WeakPolarHBondContact O-CG 3.34Å; P190-E193 WeakPolarHBondContact CA-OE2 3.34Å; P190-E193 PolarHBondContact O-N 3.1Å; P190-I194 WeakPolarHBondContact O-CG1 3.26Å; P190-I194 PolarHBondContact O-N 2.84Å; P190-I194 VanDerWaalsContact O-N 3.13Å
191	A	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-44.5	175	0	0	0	0	0	111.7	V145 I148 I149 N187 V188 V189 I194 M195	V145-A191 HydrophobicContact CG1-CB 4.34Å; I148-A191 HydrophobicContact CB-CB 3.87Å; I148-A191 HydrophobicContact CG2-CB 3.58Å; I149-A191 HydrophobicContact CB-CB 4.28Å; N187-A191 WeakPolarHBondContact O-CB 3.19Å; N187-A191 PolarHBondContact O-N 3.24Å; V188-A191 PolarHBondContact O-N 2.77Å; V189-A191 VanDerWaalsContact C-N 3.27Å; V189-A191 PolarHBondContact O-N 2.77Å; A191-I194 PolarHBondContact O-N 2.81Å; A191-M195 HydrophobicContact CB-CE 4.25Å; A191-M195 WeakPolarHBondContact O-CG 3.31Å; A191-M195 PolarHBondContact O-N 3.38Å
192	M	98.8	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-35.9	175.7	-70.4	-171.2	-52.9	0	0	112.2	M175 V188 V189 I194 M195 L196 V208 L210 L222 I226 V228	M175-M192 HydrophobicContact CG-SD 4.26Å; V188-M192 HydrophobicContact CG1-CE 3.81Å; V188-M192 HydrophobicContact CG1-CG 4.44Å; V188-M192 HydrophobicContact CG1-SD 4.17Å; V188-M192 WeakPolarHBondContact O-CG 3.25Å; V188-M192 PolarHBondContact O-N 3.11Å; V189-M192 PolarHBondContact O-N 2.88Å; V189-M192 VanDerWaalsContact O-N 3.07Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.41Å; M192-M195 HydrophobicContact CG-SD 4.15Å; M192-M195 WeakPolarHBondContact O-CB 3.28Å; M192-M195 PolarHBondContact O-N 3.22Å; M192-M195 VanDerWaalsContact O-N 3.11Å; M192-L196 VanDerWaalsContact O-CG 3.29Å; M192-L196 WeakPolarHBondContact O-CG 3.45Å; M192-L196 PolarHBondContact O-N 3.43Å; M192-V208 HydrophobicContact CG-CG1 4.08Å; M192-V208 HydrophobicContact SD-CG1 4.1Å; M192-L210 HydrophobicContact CE-CD1 3.8Å; M192-L210 HydrophobicContact SD-CB 4.35Å; M192-L210 HydrophobicContact SD-CD1 4.03Å; M192-L222 HydrophobicContact CE-CD1 4.15Å; M192-I226 HydrophobicContact CB-CD1 3.83Å; M192-I226 HydrophobicContact CE-CD1 4.39Å; M192-I226 HydrophobicContact CE-CG2 3.92Å; M192-V228 HydrophobicContact CE-CG1 4.27Å; M192-V228 HydrophobicContact CE-CG2 4.05Å; M192-V228 HydrophobicContact SD-CG1 4.05Å; M192-V228 HydrophobicContact SD-CG2 4.13Å
193	E	98.8	Very high	98.6	Very high	65 Å²	65	28.6 Å²	28.6	30%	0.304	15%	0.151	S	C	.	.	H	α-helix	trans	-57.4	-43.9	172.6	-69	173.9	149.2	0	0	111.2	N24 V189 P190 M195 L196 D197 I226	N24-E193 HydrophobicContact CB-CB 4.48Å; N24-E193 PolarHBondContact ND2-OE2 2.95Å; V189-E193 HydrophobicContact CG1-CG 4.32Å; V189-E193 WeakPolarHBondContact O-CG 3.46Å; V189-E193 PolarHBondContact O-N 2.93Å; P190-E193 WeakPolarHBondContact CA-OE2 3.34Å; P190-E193 PolarHBondContact O-N 3.1Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 2.92Å; E193-L196 PolarHBondContact O-N 2.8Å; E193-D197 WeakPolarHBondContact O-CB 3.35Å; E193-D197 PolarHBondContact O-N 3.37Å; E193-I226 HydrophobicContact CG-CD1 3.87Å
194	I	98.8	Very high	98.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-36.1	175.7	-61.4	161	0	0	0	111.7	N24 Y50 V145 I149 P190 A191 M192 L196 G200 F201	N24-I194 HydrophobicContact CB-CG1 4.33Å; Y50-I194 HydrophobicContact CD1-CG2 4.18Å; Y50-I194 HydrophobicContact CD2-CG2 4.24Å; Y50-I194 HydrophobicContact CE1-CG2 3.68Å; Y50-I194 HydrophobicContact CE2-CG2 3.75Å; Y50-I194 HydrophobicContact CG-CG2 4.44Å; Y50-I194 VanDerWaalsContact CZ-CG2 3.44Å; V145-I194 HydrophobicContact CG1-CD1 4.11Å; I149-I194 HydrophobicContact CD1-CB 4.07Å; I149-I194 HydrophobicContact CD1-CG2 3.92Å; I149-I194 HydrophobicContact CG1-CB 4.04Å; I149-I194 HydrophobicContact CG1-CD1 4.3Å; I149-I194 HydrophobicContact CG1-CG2 3.71Å; I149-I194 HydrophobicContact CG2-CD1 4.35Å; P190-I194 WeakPolarHBondContact O-CG1 3.26Å; P190-I194 PolarHBondContact O-N 2.84Å; P190-I194 VanDerWaalsContact O-N 3.13Å; A191-I194 PolarHBondContact O-N 2.81Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.41Å; I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 PolarHBondContact O-N 2.95Å; I194-G200 WeakPolarHBondContact O-CA 3.38Å; I194-F201 PolarHBondContact O-N 3.08Å
195	M	98.8	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-37.4	174.3	-64.9	168.5	-161.1	0	0	111.7	I148 I149 V152 V173 M175 A191 M192 E193 G202 L203 V208	I148-M195 HydrophobicContact CG2-CE 4.19Å; I149-M195 HydrophobicContact CD1-CE 4.1Å; I149-M195 HydrophobicContact CD1-CG 3.62Å; V152-M195 HydrophobicContact CG2-CE 3.87Å; V152-M195 HydrophobicContact CG2-CG 4.46Å; V173-M195 HydrophobicContact CB-SD 4.16Å; V173-M195 HydrophobicContact CG1-CE 4.2Å; V173-M195 HydrophobicContact CG1-SD 3.71Å; V173-M195 HydrophobicContact CG2-SD 4.4Å; M175-M195 HydrophobicContact SD-CE 4.21Å; A191-M195 HydrophobicContact CB-CE 4.25Å; A191-M195 WeakPolarHBondContact O-CG 3.31Å; A191-M195 PolarHBondContact O-N 3.38Å; M192-M195 HydrophobicContact CG-SD 4.15Å; M192-M195 WeakPolarHBondContact O-CB 3.28Å; M192-M195 PolarHBondContact O-N 3.22Å; M192-M195 VanDerWaalsContact O-N 3.11Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 2.92Å; M195-G202 PolarHBondContact O-N 2.87Å; M195-L203 HydrophobicContact CB-CD1 4.33Å; M195-L203 VanDerWaalsContact O-CB 3.31Å; M195-L203 WeakPolarHBondContact O-CB 3.39Å; M195-L203 WeakPolarHBondContact O-CG 3.33Å; M195-L203 PolarHBondContact O-N 2.88Å; M195-V208 HydrophobicContact CB-CG2 4.24Å; M195-V208 HydrophobicContact SD-CG1 4.14Å
196	L	98.6	Very high	98.4	Very high	40 Å²	40	36.8 Å²	36.8	21%	0.209	19%	0.186	C	C	.	.	H	α-helix	trans	-85.2	-26.4	-178.3	-61.2	178.4	0	0	0	113.7	M192 E193 I194 L203 K205 V208 I226 V228	M192-L196 VanDerWaalsContact O-CG 3.29Å; M192-L196 WeakPolarHBondContact O-CG 3.45Å; M192-L196 PolarHBondContact O-N 3.43Å; E193-L196 PolarHBondContact O-N 2.8Å; I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 PolarHBondContact O-N 2.95Å; L196-L203 WeakPolarHBondContact CD2-O 3.39Å; L196-K205 HydrophobicContact CD2-CB 4.16Å; L196-V208 HydrophobicContact CD2-CB 4.12Å; L196-V208 HydrophobicContact CD2-CG2 3.6Å; L196-V208 HydrophobicContact CG-CG2 4.48Å; L196-I226 HydrophobicContact CD1-CD1 3.98Å; L196-I226 HydrophobicContact CD1-CG1 4.37Å; L196-V228 HydrophobicContact CD1-CG1 4.06Å
197	D	98.7	Very high	98.4	Very high	18 Å²	18	37 Å²	37	10%	0.096	18%	0.178	C	C	.	.			trans	-63.8	135.1	-174.5	-158.8	-63.1	0	0	0	111.8	R25 E193 F199 G200 F201 G202	R25-D197 VanDerWaalsContact CB-OD2 3.27Å; R25-D197 WeakPolarHBondContact CB-OD2 3.25Å; R25-D197 WeakPolarHBondContact CD-OD2 3.28Å; R25-D197 IonicContact CZ-OD1 3.72Å; R25-D197 IonicContact CZ-OD2 3.06Å; R25-D197 IonicContact NE-OD1 2.98Å; R25-D197 IonicContact NE-OD2 3.28Å; R25-D197 PolarHBondContact NE-OD2 3.12Å; R25-D197 IonicContact NH1-OD1 2.7Å; R25-D197 PolarHBondContact NH1-OD1 3.19Å; R25-D197 IonicContact NH1-OD2 2.74Å; R25-D197 PolarHBondContact NH1-OD2 3Å; R25-D197 VanDerWaalsContact NH1-OD2 3.12Å; R25-D197 IonicContact NH2-OD2 3.81Å; E193-D197 WeakPolarHBondContact O-CB 3.35Å; E193-D197 PolarHBondContact O-N 3.37Å; D197-F199 PolarHBondContact O-N 2.94Å; D197-F199 PolarHBondContact OD1-N 3.14Å; D197-G200 CarbonylContact O-C 3.58Å; D197-G200 VanDerWaalsContact O-C 3.29Å; D197-G200 VanDerWaalsContact O-CA 3.24Å; D197-G200 WeakPolarHBondContact O-CA 3.49Å; D197-G200 PolarHBondContact O-N 3.48Å; D197-F201 PolarHBondContact O-N 3.28Å; D197-G202 VanDerWaalsContact O-CA 3.23Å; D197-G202 WeakPolarHBondContact O-CA 3.44Å; D197-G202 PolarHBondContact O-N 2.86Å
198	D	98.2	Very high	98.4	Very high	121 Å²	121	35.2 Å²	35.2	65%	0.647	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.7	177.1	-67	-41.5	0	0	0	113	H51	H51-D198 PolarHBondContact CE1-O 2.85Å; H51-D198 VanDerWaalsContact CE1-O 3.27Å; H51-D198 PolarHBondContact NE2-O 3.43Å
199	F	98.4	Very high	98.4	Very high	44 Å²	44	36.4 Å²	36.4	19%	0.193	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-12.2	172.4	-54.3	-53.6	0	0	0	112.9	D43 M46 K47 D197	D43-F199 HydrophobicContact CB-CD1 4.25Å; D43-F199 HydrophobicContact CB-CD2 3.76Å; D43-F199 HydrophobicContact CB-CE1 4.17Å; D43-F199 HydrophobicContact CB-CE2 3.66Å; D43-F199 HydrophobicContact CB-CG 4.05Å; D43-F199 HydrophobicContact CB-CZ 3.87Å; D43-F199 WeakPolarHBondContact OD2-CE2 3.3Å; M46-F199 CarbonylContact C-O 3.45Å; M46-F199 VanDerWaalsContact C-O 3.24Å; M46-F199 HydrophobicContact CB-CB 3.9Å; K47-F199 HydrophobicContact CD-CD1 4.15Å; K47-F199 HydrophobicContact CG-CB 4.46Å; K47-F199 HydrophobicContact CG-CD1 3.88Å; D197-F199 PolarHBondContact O-N 2.94Å; D197-F199 PolarHBondContact OD1-N 3.14Å
200	G	98.5	Very high	98.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-130.7	167	0	0	0	0	0	111.5	H51 I194 D197	H51-G200 PolarHBondContact CD2-O 2.98Å; H51-G200 PolarHBondContact NE2-O 3.25Å; H51-G200 VanDerWaalsContact NE2-O 3.08Å; I194-G200 WeakPolarHBondContact O-CA 3.38Å; D197-G200 CarbonylContact O-C 3.58Å; D197-G200 VanDerWaalsContact O-C 3.29Å; D197-G200 VanDerWaalsContact O-CA 3.24Å; D197-G200 WeakPolarHBondContact O-CA 3.49Å; D197-G200 PolarHBondContact O-N 3.48Å
201	F	98.3	Very high	98.4	Very high	27 Å²	27	35.9 Å²	35.9	12%	0.118	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12	177.6	-66.8	-78.8	0	0	0	113.8	Y50 I149 V152 W153 A156 R168 I194 D197 L203	Y50-F201 HydrophobicContact CD1-CD2 4.35Å; Y50-F201 AromaticContact CD1-CE2 3.66Å; Y50-F201 HydrophobicContact CD1-CE2 3.66Å; Y50-F201 AromaticContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CE1-CE2 4.25Å; Y50-F201 HydrophobicContact CG-CE2 4.48Å; I149-F201 HydrophobicContact CD1-CD2 3.98Å; I149-F201 HydrophobicContact CD1-CE2 3.66Å; I149-F201 HydrophobicContact CG1-CE2 4.07Å; V152-F201 HydrophobicContact CB-CD2 4.48Å; V152-F201 HydrophobicContact CB-CE2 3.85Å; V152-F201 HydrophobicContact CB-CZ 3.99Å; V152-F201 HydrophobicContact CG1-CD1 4.11Å; V152-F201 HydrophobicContact CG1-CD2 3.81Å; V152-F201 HydrophobicContact CG1-CE1 3.87Å; V152-F201 HydrophobicContact CG1-CE2 3.55Å; V152-F201 HydrophobicContact CG1-CG 4.08Å; V152-F201 HydrophobicContact CG1-CZ 3.59Å; W153-F201 HydrophobicContact CB-CZ 4.23Å; A156-F201 HydrophobicContact CB-CE1 3.87Å; R168-F201 PolarHBondContact NH1-O 2.88Å; I194-F201 PolarHBondContact O-N 3.08Å; D197-F201 PolarHBondContact O-N 3.28Å; F201-L203 VanDerWaalsContact C-N 3.25Å; F201-L203 HydrophobicContact CB-CD1 4.48Å; F201-L203 HydrophobicContact CB-CG 4Å; F201-L203 PolarHBondContact O-N 2.9Å
202	G	98	Very high	98.4	Very high	13 Å²	13	35.9 Å²	35.9	13%	0.134	17%	0.173	C	C	.	.			trans	55.7	37.8	177.9	0	0	0	0	0	113.1	R168 M195 D197	R168-G202 PolarHBondContact NH1-O 2.9Å; R168-G202 PolarHBondContact NH2-O 2.86Å; M195-G202 PolarHBondContact O-N 2.87Å; D197-G202 VanDerWaalsContact O-CA 3.23Å; D197-G202 WeakPolarHBondContact O-CA 3.44Å; D197-G202 PolarHBondContact O-N 2.86Å
203	L	98.2	Very high	98.4	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.058	18%	0.177	C	C	.	.			trans	-76.1	149.9	177.7	-60.2	-178.1	0	0	0	110.5	I170 V173 M195 L196 F201 V208	I170-L203 WeakPolarHBondContact O-CD2 3.4Å; V173-L203 HydrophobicContact CB-CD1 4.24Å; V173-L203 HydrophobicContact CG2-CD1 3.49Å; V173-L203 VanDerWaalsContact CG2-CD1 3.49Å; M195-L203 HydrophobicContact CB-CD1 4.33Å; M195-L203 VanDerWaalsContact O-CB 3.31Å; M195-L203 WeakPolarHBondContact O-CB 3.39Å; M195-L203 WeakPolarHBondContact O-CG 3.33Å; M195-L203 PolarHBondContact O-N 2.88Å; L196-L203 WeakPolarHBondContact CD2-O 3.39Å; F201-L203 VanDerWaalsContact C-N 3.25Å; F201-L203 HydrophobicContact CB-CD1 4.48Å; F201-L203 HydrophobicContact CB-CG 4Å; F201-L203 PolarHBondContact O-N 2.9Å; L203-V208 HydrophobicContact CB-CG2 3.9Å; L203-V208 HydrophobicContact CD1-CG2 4.07Å
204	S	97.8	Very high	98.3	Very high	55 Å²	55	33.5 Å²	33.5	39%	0.385	16%	0.163	S	C	.	.			trans	-70.9	140	172.7	-178.2	0	0	0	0	110.2	R206 R207 V208	S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 PolarHBondContact OG-N 3.23Å; S204-R207 CarbonylContact O-C 3.24Å; S204-R207 WeakPolarHBondContact O-CA 3.32Å; S204-R207 PolarHBondContact O-N 2.91Å; S204-V208 PolarHBondContact O-N 3.32Å
205	K	97.4	Very high	98.3	Very high	69 Å²	69	34.1 Å²	34.1	30%	0.3	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-54	-26	170	65.5	-179.9	-176.3	-178.6	0	114.4	L196 R207 D227 A229 A270	L196-K205 HydrophobicContact CD2-CB 4.16Å; K205-R207 PolarHBondContact O-N 2.96Å; K205-D227 WeakPolarHBondContact CB-O 3.25Å; K205-D227 WeakPolarHBondContact CD-OD2 3.47Å; K205-D227 WeakPolarHBondContact CE-OD2 3.38Å; K205-D227 IonicContact NZ-OD2 2.86Å; K205-D227 PolarHBondContact NZ-OD2 2.86Å; K205-A229 PolarHBondContact O-N 3.26Å; K205-A229 VanDerWaalsContact O-N 3.16Å; K205-A270 HydrophobicContact CB-CB 3.95Å; K205-A270 HydrophobicContact CD-CB 3.96Å; K205-A270 HydrophobicContact CG-CB 3.8Å
206	R	97.7	Very high	98.3	Very high	132 Å²	132	34.6 Å²	34.6	50%	0.498	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-74.7	-10.5	175.3	-54.5	-170	-179.4	164.4	4.6	113.5	S204 A270 Q272	S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 PolarHBondContact OG-N 3.23Å; R206-A270 WeakPolarHBondContact CG-O 3.24Å; R206-Q272 VanDerWaalsContact CZ-NE2 3.34Å
207	R	98.1	Very high	98.3	Very high	126 Å²	126	36 Å²	36	48%	0.475	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-120.7	4	-174.7	-62	-173.8	-175.5	-177	-1.8	112.5	T171 N172 V173 S204 K205	T171-R207 WeakPolarHBondContact O-CB 3.44Å; T171-R207 WeakPolarHBondContact O-CD 3.4Å; N172-R207 CarbonylContact C-O 3.56Å; N172-R207 VanDerWaalsContact CA-O 3.24Å; N172-R207 WeakPolarHBondContact CA-O 3.49Å; N172-R207 HydrophobicContact CB-CB 4.48Å; N172-R207 WeakPolarHBondContact ND2-CB 3.42Å; V173-R207 PolarHBondContact N-O 3.13Å; S204-R207 CarbonylContact O-C 3.24Å; S204-R207 WeakPolarHBondContact O-CA 3.32Å; S204-R207 PolarHBondContact O-N 2.91Å; K205-R207 PolarHBondContact O-N 2.96Å
208	V	98.7	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.3	165.7	-179.1	0	0	0	0	106.6	V173 M192 M195 L196 L203 S204 V228 A229	V173-V208 CarbonylContact O-C 3.58Å; V173-V208 VanDerWaalsContact O-CA 3.31Å; V173-V208 WeakPolarHBondContact O-CA 3.33Å; M192-V208 HydrophobicContact CG-CG1 4.08Å; M192-V208 HydrophobicContact SD-CG1 4.1Å; M195-V208 HydrophobicContact CB-CG2 4.24Å; M195-V208 HydrophobicContact SD-CG1 4.14Å; L196-V208 HydrophobicContact CD2-CB 4.12Å; L196-V208 HydrophobicContact CD2-CG2 3.6Å; L196-V208 HydrophobicContact CG-CG2 4.48Å; L203-V208 HydrophobicContact CB-CG2 3.9Å; L203-V208 HydrophobicContact CD1-CG2 4.07Å; S204-V208 PolarHBondContact O-N 3.32Å; V208-V228 HydrophobicContact CG1-CG1 4.29Å; V208-A229 WeakPolarHBondContact O-CB 3.48Å; V208-A229 PolarHBondContact O-N 2.9Å; V208-A229 VanDerWaalsContact O-N 3.07Å
209	T	98.8	Very high	98.3	Very high	25 Å²	25	30.1 Å²	30.1	15%	0.153	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.1	-175.4	-52.8	0	0	0	0	110.4	V173 V174 M175 M176 A229 A231	V173-T209 PolarHBondContact O-N 3.39Å; V174-T209 CarbonylContact C-O 3.48Å; V174-T209 WeakPolarHBondContact CA-O 3.39Å; M175-T209 PolarHBondContact N-O 2.78Å; M176-T209 HydrophobicContact CE-CG2 4.3Å; T209-A229 CarbonylContact C-O 3.29Å; T209-A229 VanDerWaalsContact CA-O 3.31Å; T209-A229 WeakPolarHBondContact CA-O 3.33Å; T209-A229 HydrophobicContact CG2-CB 4.38Å; T209-A231 HydrophobicContact CG2-CB 3.79Å
210	L	98.8	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.9	169.4	-173.7	149.8	0	0	0	109	M175 P181 L182 V188 M192 T212 L222 V228 A229 L230 A231	M175-L210 HydrophobicContact CB-CG 4.47Å; P181-L210 HydrophobicContact CB-CD1 3.85Å; P181-L210 HydrophobicContact CB-CD2 4.29Å; P181-L210 HydrophobicContact CB-CG 3.88Å; P181-L210 HydrophobicContact CG-CG 4.31Å; L182-L210 HydrophobicContact CD2-CD1 4.4Å; L182-L210 HydrophobicContact CD2-CD2 3.93Å; L182-L210 HydrophobicContact CG-CD2 4.27Å; V188-L210 HydrophobicContact CG1-CD1 3.93Å; M192-L210 HydrophobicContact CE-CD1 3.8Å; M192-L210 HydrophobicContact SD-CB 4.35Å; M192-L210 HydrophobicContact SD-CD1 4.03Å; L210-T212 HydrophobicContact CD2-CG2 4.49Å; L210-L222 HydrophobicContact CD1-CD1 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.06Å; L210-L222 HydrophobicContact CD2-CD2 4.27Å; L210-V228 HydrophobicContact CB-CG2 4.16Å; L210-A229 PolarHBondContact N-O 2.65Å; L210-L230 HydrophobicContact CD2-CD1 4.25Å; L210-A231 PolarHBondContact O-N 3.35Å
211	S	98.6	Very high	98.3	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	145.5	169.3	-167.1	0	0	0	0	110.7	P181 A231 S233 E278	P181-S211 VanDerWaalsContact CD-O 3.31Å; P181-S211 WeakPolarHBondContact CD-O 3.41Å; P181-S211 WeakPolarHBondContact CG-O 3.33Å; S211-A231 WeakPolarHBondContact CA-O 3.25Å; S211-S233 PolarHBondContact OG-OG 3.08Å; S211-E278 PolarHBondContact OG-OE2 3.35Å
212	T	98.7	Very high	98.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.5	179	-178	0	0	0	0	112.3	E180 L182 L210 G214 L230 A231 I232 S233 F257	E180-T212 VanDerWaalsContact CD-OG1 3.26Å; E180-T212 VanDerWaalsContact OE1-CB 3.28Å; E180-T212 WeakPolarHBondContact OE1-CB 3.24Å; E180-T212 PolarHBondContact OE1-OG1 3.24Å; E180-T212 WeakPolarHBondContact OE2-CA 3.32Å; E180-T212 PolarHBondContact OE2-OG1 2.93Å; L182-T212 HydrophobicContact CD1-CG2 3.9Å; L182-T212 WeakPolarHBondContact CD1-OG1 3.49Å; L182-T212 HydrophobicContact CG-CG2 4.45Å; L182-T212 WeakPolarHBondContact CG-OG1 3.32Å; L210-T212 HydrophobicContact CD2-CG2 4.49Å; T212-G214 VanDerWaalsContact C-N 3.32Å; T212-G214 PolarHBondContact OG1-N 2.88Å; T212-L230 HydrophobicContact CG2-CD1 4.14Å; T212-A231 PolarHBondContact N-O 3.17Å; T212-I232 HydrophobicContact CG2-CG2 4.33Å; T212-S233 PolarHBondContact O-N 3.04Å; T212-F257 HydrophobicContact CG2-CE2 4.17Å; T212-F257 HydrophobicContact CG2-CZ 4Å
213	S	98.2	Very high	98.2	Very high	14 Å²	14	34.4 Å²	34.4	10%	0.098	17%	0.174	C	C	.	.	S	Bend	trans	-83.3	-3.7	172.8	-60.6	0	0	0	0	114.2	L127 E180 R242 I248	L127-S213 VanDerWaalsContact CD1-CB 3.46Å; E180-S213 PolarHBondContact OE2-N 2.89Å; S213-R242 PolarHBondContact O-NH2 3.04Å; S213-I248 WeakPolarHBondContact O-CG2 3.46Å
214	G	97.9	Very high	98.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.			trans	109	52	170.3	0	0	0	0	0	115.8	T212 V216 Y252 F257	T212-G214 VanDerWaalsContact C-N 3.32Å; T212-G214 PolarHBondContact OG1-N 2.88Å; G214-V216 VanDerWaalsContact C-N 3.3Å; G214-V216 PolarHBondContact O-N 2.92Å; G214-Y252 VanDerWaalsContact O-CD2 3.29Å; G214-Y252 WeakPolarHBondContact O-CD2 3.07Å; G214-F257 VanDerWaalsContact CA-CE2 3.4Å
215	V	98.1	Very high	98.2	Very high	14 Å²	14	40.5 Å²	40.5	9%	0.085	20%	0.201	C	C	.	.			trans	-81.3	79.4	168.7	-171.7	0	0	0	0	109.5	E180 L182 L183 A218 L219 Y252	E180-V215 HydrophobicContact CG-CG2 3.96Å; L182-V215 HydrophobicContact CB-CB 4.08Å; L182-V215 HydrophobicContact CB-CG2 4.48Å; L182-V215 HydrophobicContact CD1-CB 4.27Å; L183-V215 HydrophobicContact CD2-CG1 3.92Å; L183-V215 HydrophobicContact CD2-CG2 3.98Å; L183-V215 HydrophobicContact CG-CG2 4.04Å; V215-A218 HydrophobicContact CB-CB 4.18Å; V215-A218 HydrophobicContact CG1-CB 3.79Å; V215-A218 WeakPolarHBondContact O-CA 3.47Å; V215-A218 WeakPolarHBondContact O-CB 3.35Å; V215-A218 PolarHBondContact O-N 3.22Å; V215-L219 PolarHBondContact O-N 3.05Å; V215-Y252 HydrophobicContact CG1-CE2 4.44Å
216	V	98.4	Very high	98.2	Very high	10 Å²	10	38.1 Å²	38.1	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-48.9	-51.1	-166.3	164.9	0	0	0	0	114.9	G214 A218 L219 D220 Y252 T256 F257 A260	G214-V216 VanDerWaalsContact C-N 3.3Å; G214-V216 PolarHBondContact O-N 2.92Å; V216-A218 PolarHBondContact O-N 3.35Å; V216-L219 WeakPolarHBondContact O-CB 3.37Å; V216-L219 PolarHBondContact O-N 3.04Å; V216-D220 PolarHBondContact O-N 2.94Å; V216-D220 VanDerWaalsContact O-N 3.1Å; V216-Y252 HydrophobicContact CB-CD1 3.99Å; V216-Y252 HydrophobicContact CB-CE1 4.42Å; V216-Y252 HydrophobicContact CB-CG 4.07Å; V216-Y252 HydrophobicContact CG2-CD1 4.32Å; V216-Y252 HydrophobicContact CG2-CG 4.05Å; V216-T256 HydrophobicContact CG1-CG2 4.22Å; V216-T256 HydrophobicContact CG2-CG2 4.2Å; V216-F257 HydrophobicContact CG2-CB 4.24Å; V216-F257 HydrophobicContact CG2-CD2 4.3Å; V216-A260 HydrophobicContact CB-CB 4.4Å; V216-A260 HydrophobicContact CG1-CB 3.78Å; V216-A260 HydrophobicContact CG2-CB 4.13Å
217	P	98.4	Very high	98.3	Very high	71 Å²	71	33.8 Å²	33.8	46%	0.461	18%	0.178	S	C	.	.	H	α-helix	trans	-62.6	-31	179.9	-24.1	35.1	0	0	0	113.7	K221 Y252	P217-K221 PolarHBondContact O-N 3.07Å; P217-K221 VanDerWaalsContact O-N 3.15Å; P217-Y252 VanDerWaalsContact CD-CZ 3.43Å; P217-Y252 WeakPolarHBondContact CD-OH 3.31Å; P217-Y252 HydrophobicContact CG-CE1 4.08Å; P217-Y252 WeakPolarHBondContact CG-OH 3.33Å
218	A	98.4	Very high	98.3	Very high	14 Å²	14	27.8 Å²	27.8	12%	0.116	16%	0.156	C	C	.	.	H	α-helix	trans	-76.8	-28.1	176.9	0	0	0	0	0	111.7	L182 L185 V215 V216 K221 L222	L182-A218 HydrophobicContact CB-CB 3.81Å; L182-A218 HydrophobicContact CD1-CB 4.41Å; L182-A218 WeakPolarHBondContact O-CB 3.5Å; L185-A218 HydrophobicContact CD1-CB 3.91Å; L185-A218 WeakPolarHBondContact CD1-O 3.43Å; V215-A218 HydrophobicContact CB-CB 4.18Å; V215-A218 HydrophobicContact CG1-CB 3.79Å; V215-A218 WeakPolarHBondContact O-CA 3.47Å; V215-A218 WeakPolarHBondContact O-CB 3.35Å; V215-A218 PolarHBondContact O-N 3.22Å; V216-A218 PolarHBondContact O-N 3.35Å; A218-K221 PolarHBondContact O-N 3.39Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 2.77Å
219	L	98.7	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.5	-42.7	172.7	-179.9	58.3	0	0	0	111.2	L182 V215 V216 K221 L222 G223 L230 F257 A260 V261 Y264	L182-L219 HydrophobicContact CD1-CB 3.78Å; L182-L219 HydrophobicContact CD1-CD1 4.49Å; V215-L219 PolarHBondContact O-N 3.05Å; V216-L219 WeakPolarHBondContact O-CB 3.37Å; V216-L219 PolarHBondContact O-N 3.04Å; L219-K221 VanDerWaalsContact C-N 3.31Å; L219-K221 PolarHBondContact O-N 3Å; L219-L222 HydrophobicContact CD1-CD2 4.24Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.38Å; L219-G223 PolarHBondContact O-N 3.04Å; L219-G223 VanDerWaalsContact O-N 3.14Å; L219-L230 HydrophobicContact CD1-CD1 4.03Å; L219-L230 HydrophobicContact CD1-CD2 4.04Å; L219-L230 HydrophobicContact CD2-CD2 4.41Å; L219-F257 HydrophobicContact CD2-CD2 4.44Å; L219-F257 HydrophobicContact CD2-CE2 4.09Å; L219-A260 HydrophobicContact CD2-CB 3.98Å; L219-V261 HydrophobicContact CD2-CG2 4.04Å; L219-Y264 HydrophobicContact CD1-CD2 3.95Å; L219-Y264 HydrophobicContact CD1-CG 4.14Å
220	D	98.3	Very high	98.3	Very high	47 Å²	47	27.1 Å²	27.1	25%	0.251	15%	0.152	S	C	.	.	H	α-helix	trans	-59	-46.1	173.3	-72.3	-49.9	0	0	0	110.4	V216 L222 G223 D224 R263	V216-D220 PolarHBondContact O-N 2.94Å; V216-D220 VanDerWaalsContact O-N 3.1Å; D220-L222 VanDerWaalsContact C-N 3.35Å; D220-L222 PolarHBondContact O-N 2.98Å; D220-G223 PolarHBondContact O-N 3.49Å; D220-D224 PolarHBondContact O-N 3.08Å; D220-R263 VanDerWaalsContact CG-NH2 3.31Å; D220-R263 IonicContact OD1-CZ 3.12Å; D220-R263 IonicContact OD1-NE 3.49Å; D220-R263 PolarHBondContact OD1-NE 3.46Å; D220-R263 IonicContact OD1-NH2 3.79Å; D220-R263 PolarHBondContact OD1-NH2 2.67Å; D220-R263 IonicContact OD2-CZ 2.69Å; D220-R263 IonicContact OD2-NE 3.76Å; D220-R263 IonicContact OD2-NH2 2.95Å; D220-R263 PolarHBondContact OD2-NH2 3.5Å
221	K	98.1	Very high	98.3	Very high	109 Å²	109	27.1 Å²	27.1	47%	0.474	15%	0.152	S	C	.	.	H	α-helix	trans	-61	-39.4	175.6	-169.3	176.8	-179.3	-179.3	0	112.9	L185 P217 A218 L219 G223 D224 M225	L185-K221 HydrophobicContact CD1-CB 4.15Å; L185-K221 HydrophobicContact CD1-CD 4.08Å; L185-K221 HydrophobicContact CD1-CG 4.23Å; P217-K221 PolarHBondContact O-N 3.07Å; P217-K221 VanDerWaalsContact O-N 3.15Å; A218-K221 PolarHBondContact O-N 3.39Å; L219-K221 VanDerWaalsContact C-N 3.31Å; L219-K221 PolarHBondContact O-N 3Å; K221-G223 VanDerWaalsContact C-N 3.29Å; K221-G223 PolarHBondContact O-N 3.47Å; K221-D224 PolarHBondContact O-N 2.87Å; K221-M225 HydrophobicContact CD-SD 4.36Å; K221-M225 HydrophobicContact CG-SD 3.89Å; K221-M225 VanDerWaalsContact O-CG 3.3Å; K221-M225 WeakPolarHBondContact O-CG 3.43Å; K221-M225 PolarHBondContact O-N 3.18Å
222	L	98.5	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.3	-43.5	175.9	-178.4	74.6	0	0	0	111	L182 L185 V189 M192 L210 A218 L219 D220 D224 M225 I226 Y264	L182-L222 HydrophobicContact CD2-CB 4.2Å; L182-L222 HydrophobicContact CD2-CD2 3.96Å; L185-L222 HydrophobicContact CD2-CB 4.2Å; L185-L222 HydrophobicContact CD2-CD1 3.68Å; V189-L222 HydrophobicContact CG2-CD1 3.92Å; M192-L222 HydrophobicContact CE-CD1 4.15Å; L210-L222 HydrophobicContact CD1-CD1 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.06Å; L210-L222 HydrophobicContact CD2-CD2 4.27Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 2.77Å; L219-L222 HydrophobicContact CD1-CD2 4.24Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.38Å; D220-L222 VanDerWaalsContact C-N 3.35Å; D220-L222 PolarHBondContact O-N 2.98Å; L222-D224 PolarHBondContact O-N 3.47Å; L222-M225 PolarHBondContact O-N 3.07Å; L222-I226 HydrophobicContact CD1-CG2 3.55Å; L222-I226 HydrophobicContact CG-CG2 4.27Å; L222-I226 PolarHBondContact O-N 3.07Å; L222-Y264 HydrophobicContact CD2-CE2 3.85Å; L222-Y264 HydrophobicContact CG-CE2 4.05Å
223	G	97.3	Very high	98.3	Very high	19 Å²	19	27.5 Å²	27.5	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-19	179.4	0	0	0	0	0	114.6	L219 D220 K221	L219-G223 PolarHBondContact O-N 3.04Å; L219-G223 VanDerWaalsContact O-N 3.14Å; D220-G223 PolarHBondContact O-N 3.49Å; K221-G223 VanDerWaalsContact C-N 3.29Å; K221-G223 PolarHBondContact O-N 3.47Å
224	D	97.3	Very high	98.3	Very high	120 Å²	120	26.8 Å²	26.8	64%	0.642	15%	0.15	S	C	*	.	H	α-helix	trans	-94.4	-8.8	174.1	-60.4	-30.4	0	0	0	112.8	D220 K221 L222 K267	D220-D224 PolarHBondContact O-N 3.08Å; K221-D224 PolarHBondContact O-N 2.87Å; L222-D224 PolarHBondContact O-N 3.47Å; D224-K267 IonicContact OD1-NZ 2.72Å; D224-K267 PolarHBondContact OD1-NZ 2.85Å
225	M	98.1	Very high	98.4	Very high	73 Å²	73	27.3 Å²	27.3	36%	0.36	15%	0.152	S	C	.	.	H	α-helix	trans	-106.4	-43.3	-177.2	-66.6	175.2	74.9	0	0	113.1	V189 K221 L222	V189-M225 HydrophobicContact CB-CE 3.94Å; V189-M225 HydrophobicContact CG1-CB 4.22Å; V189-M225 HydrophobicContact CG1-CE 4.05Å; V189-M225 HydrophobicContact CG2-CB 4.33Å; V189-M225 HydrophobicContact CG2-CE 3.81Å; V189-M225 HydrophobicContact CG2-SD 4.26Å; K221-M225 HydrophobicContact CD-SD 4.36Å; K221-M225 HydrophobicContact CG-SD 3.89Å; K221-M225 VanDerWaalsContact O-CG 3.3Å; K221-M225 WeakPolarHBondContact O-CG 3.43Å; K221-M225 PolarHBondContact O-N 3.18Å; L222-M225 PolarHBondContact O-N 3.07Å
226	I	98.1	Very high	98.4	Very high	20 Å²	20	26.6 Å²	26.6	10%	0.103	15%	0.148	C	C	.	.			trans	-157.8	144.8	-173.2	-166.4	174.6	0	0	0	112.8	V189 M192 E193 L196 L222 V228	V189-I226 HydrophobicContact CG1-CB 4.18Å; V189-I226 HydrophobicContact CG1-CD1 4.5Å; V189-I226 HydrophobicContact CG1-CG2 4.1Å; V189-I226 HydrophobicContact CG2-CG2 4.09Å; M192-I226 HydrophobicContact CB-CD1 3.83Å; M192-I226 HydrophobicContact CE-CD1 4.39Å; M192-I226 HydrophobicContact CE-CG2 3.92Å; E193-I226 HydrophobicContact CG-CD1 3.87Å; L196-I226 HydrophobicContact CD1-CD1 3.98Å; L196-I226 HydrophobicContact CD1-CG1 4.37Å; L222-I226 HydrophobicContact CD1-CG2 3.55Å; L222-I226 HydrophobicContact CG-CG2 4.27Å; L222-I226 PolarHBondContact O-N 3.07Å; I226-V228 HydrophobicContact CD1-CG1 3.99Å; I226-V228 HydrophobicContact CG1-CG1 4.11Å
227	D	98.5	Very high	98.4	Very high	41 Å²	41	26.4 Å²	26.4	22%	0.219	15%	0.147	C	C	.	.			trans	-100.6	100	174.3	174.5	26.9	0	0	0	111.1	K205 S268 N269 A270	K205-D227 WeakPolarHBondContact CB-O 3.25Å; K205-D227 WeakPolarHBondContact CD-OD2 3.47Å; K205-D227 WeakPolarHBondContact CE-OD2 3.38Å; K205-D227 IonicContact NZ-OD2 2.86Å; K205-D227 PolarHBondContact NZ-OD2 2.86Å; D227-S268 VanDerWaalsContact OD1-CA 3.26Å; D227-S268 WeakPolarHBondContact OD1-CA 3.34Å; D227-S268 WeakPolarHBondContact OD1-CB 3.01Å; D227-S268 PolarHBondContact OD1-OG 3.17Å; D227-N269 PolarHBondContact OD1-N 3.21Å; D227-N269 WeakPolarHBondContact OD2-CB 3.38Å; D227-N269 PolarHBondContact OD2-N 3.11Å; D227-A270 WeakPolarHBondContact OD1-CB 3.47Å; D227-A270 PolarHBondContact OD1-N 2.99Å; D227-A270 PolarHBondContact OD2-N 2.82Å
228	V	98.6	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.			trans	-124.6	160.9	175	-68.9	0	0	0	0	112.1	M192 L196 V208 L210 I226 Y264 N271	M192-V228 HydrophobicContact CE-CG1 4.27Å; M192-V228 HydrophobicContact CE-CG2 4.05Å; M192-V228 HydrophobicContact SD-CG1 4.05Å; M192-V228 HydrophobicContact SD-CG2 4.13Å; L196-V228 HydrophobicContact CD1-CG1 4.06Å; V208-V228 HydrophobicContact CG1-CG1 4.29Å; L210-V228 HydrophobicContact CB-CG2 4.16Å; I226-V228 HydrophobicContact CD1-CG1 3.99Å; I226-V228 HydrophobicContact CG1-CG1 4.11Å; V228-Y264 WeakPolarHBondContact CG2-OH 3.34Å; V228-Y264 PolarHBondContact N-OH 3.38Å; V228-Y264 PolarHBondContact O-OH 3.32Å; V228-N271 PolarHBondContact O-ND2 3.06Å
229	A	98.7	Very high	98.5	Very high	10 Å²	10	26 Å²	26	8%	0.083	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.8	173.7	0	0	0	0	0	109.9	K205 V208 T209 L210	K205-A229 PolarHBondContact O-N 3.26Å; K205-A229 VanDerWaalsContact O-N 3.16Å; V208-A229 WeakPolarHBondContact O-CB 3.48Å; V208-A229 PolarHBondContact O-N 2.9Å; V208-A229 VanDerWaalsContact O-N 3.07Å; T209-A229 CarbonylContact C-O 3.29Å; T209-A229 VanDerWaalsContact CA-O 3.31Å; T209-A229 WeakPolarHBondContact CA-O 3.33Å; T209-A229 HydrophobicContact CG2-CB 4.38Å; L210-A229 PolarHBondContact N-O 2.65Å
230	L	98.9	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.5	-175.3	-176.2	68.1	0	0	0	110	L210 T212 L219 I232 V261 Y264 N271 V275 T276	L210-L230 HydrophobicContact CD2-CD1 4.25Å; T212-L230 HydrophobicContact CG2-CD1 4.14Å; L219-L230 HydrophobicContact CD1-CD1 4.03Å; L219-L230 HydrophobicContact CD1-CD2 4.04Å; L219-L230 HydrophobicContact CD2-CD2 4.41Å; L230-I232 HydrophobicContact CD2-CG2 4.3Å; L230-I232 HydrophobicContact CG-CG2 4.23Å; L230-V261 HydrophobicContact CD2-CG1 4.33Å; L230-V261 HydrophobicContact CD2-CG2 4.34Å; L230-Y264 HydrophobicContact CB-CD1 4.12Å; L230-Y264 HydrophobicContact CB-CE1 3.82Å; L230-Y264 HydrophobicContact CD2-CD1 3.67Å; L230-Y264 HydrophobicContact CD2-CE1 4.17Å; L230-Y264 HydrophobicContact CD2-CG 4.15Å; L230-Y264 HydrophobicContact CG-CD1 4.46Å; L230-Y264 HydrophobicContact CG-CE1 4.5Å; L230-N271 PolarHBondContact N-ND2 3.27Å; L230-N271 PolarHBondContact N-OD1 3.29Å; L230-N271 PolarHBondContact O-OD1 2.93Å; L230-V275 HydrophobicContact CB-CG2 4.47Å; L230-V275 HydrophobicContact CD2-CG2 4.21Å; L230-V275 HydrophobicContact CG-CG2 4.19Å; L230-T276 PolarHBondContact O-N 2.81Å
231	A	98.8	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.9	162.2	0	0	0	0	0	109.2	M176 T209 L210 S211 T212 T276 E278	M176-A231 HydrophobicContact CE-CB 3.82Å; T209-A231 HydrophobicContact CG2-CB 3.79Å; L210-A231 PolarHBondContact O-N 3.35Å; S211-A231 WeakPolarHBondContact CA-O 3.25Å; T212-A231 PolarHBondContact N-O 3.17Å; A231-T276 CarbonylContact C-O 3.59Å; A231-T276 VanDerWaalsContact CA-O 3.25Å; A231-T276 WeakPolarHBondContact CA-O 3.19Å; A231-T276 HydrophobicContact CB-CG2 4.41Å; A231-E278 HydrophobicContact CB-CG 4.2Å
232	I	98.8	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.9	175.2	65.1	173.8	0	0	0	111.3	T212 L230 L234 F257 L258 V261 V275 T276 I277 E278	T212-I232 HydrophobicContact CG2-CG2 4.33Å; L230-I232 HydrophobicContact CD2-CG2 4.3Å; L230-I232 HydrophobicContact CG-CG2 4.23Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 2.87Å; I232-F257 HydrophobicContact CB-CE1 3.85Å; I232-F257 HydrophobicContact CB-CE2 4.36Å; I232-F257 HydrophobicContact CB-CZ 3.48Å; I232-F257 VanDerWaalsContact CB-CZ 3.48Å; I232-F257 HydrophobicContact CD1-CE1 4.3Å; I232-F257 HydrophobicContact CD1-CZ 4.4Å; I232-F257 HydrophobicContact CG2-CE1 4.22Å; I232-F257 HydrophobicContact CG2-CE2 3.81Å; I232-F257 HydrophobicContact CG2-CZ 3.39Å; I232-L258 HydrophobicContact CD1-CD2 3.8Å; I232-V261 HydrophobicContact CD1-CG2 4.05Å; I232-V261 HydrophobicContact CG2-CG2 3.7Å; I232-V275 HydrophobicContact CG1-CG2 4.26Å; I232-V275 HydrophobicContact CG2-CG2 4.02Å; I232-T276 PolarHBondContact N-O 2.88Å; I232-I277 HydrophobicContact CD1-CD1 3.48Å; I232-I277 VanDerWaalsContact CD1-CD1 3.48Å; I232-I277 HydrophobicContact CG1-CD1 3.62Å; I232-E278 WeakPolarHBondContact O-CB 3.3Å; I232-E278 PolarHBondContact O-N 3.26Å
233	S	98.5	Very high	98.5	Very high	15 Å²	15	28.8 Å²	28.8	11%	0.105	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	75.3	174.9	-63.2	0	0	0	0	109.9	S211 T212 H235 R242	S211-S233 PolarHBondContact OG-OG 3.08Å; T212-S233 PolarHBondContact O-N 3.04Å; S233-H235 WeakPolarHBondContact CA-NE2 3.35Å; S233-H235 WeakPolarHBondContact CB-NE2 3.49Å; S233-R242 PolarHBondContact O-NH2 3.28Å
234	L	98.7	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.			trans	-77.5	-57.4	-176.1	-178.9	63	0	0	0	111.4	I232 A236 R242 I254 I277 E278 L295 L298 L299	I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 2.87Å; L234-A236 PolarHBondContact O-N 3.31Å; L234-R242 VanDerWaalsContact O-CD 3.27Å; L234-R242 WeakPolarHBondContact O-CD 3.46Å; L234-R242 PolarHBondContact O-NE 3.1Å; L234-I254 HydrophobicContact CD1-CD1 4.32Å; L234-I254 HydrophobicContact CD1-CG1 4.05Å; L234-I254 HydrophobicContact CD1-CG2 4.09Å; L234-I277 HydrophobicContact CB-CG2 3.85Å; L234-I277 HydrophobicContact CD2-CG2 3.8Å; L234-I277 HydrophobicContact CG-CG2 4.47Å; L234-E278 PolarHBondContact N-O 3.47Å; L234-E278 VanDerWaalsContact N-O 3.11Å; L234-L295 HydrophobicContact CD2-CD1 3.69Å; L234-L298 HydrophobicContact CD2-CD2 4.26Å; L234-L299 HydrophobicContact CD2-CD2 4.13Å
235	H	98.7	Very high	98.6	Very high	10 Å²	10	27 Å²	27	5%	0.046	14%	0.137	C	C	.	.			trans	60.7	-3.8	170.3	-51.4	-39.9	0	0	0	118.9	F131 S233 I245 V246 E278 Y279 V280 N286	F131-H235 HydrophobicContact CE1-CB 4.46Å; F131-H235 AromaticContact CE1-CD2 3.98Å; F131-H235 AromaticContact CE2-CD2 3.92Å; F131-H235 AromaticContact CE2-NE2 3.92Å; F131-H235 HydrophobicContact CZ-CB 4.47Å; F131-H235 AromaticContact CZ-CD2 3.23Å; F131-H235 WeakPolarHBondContact CZ-CD2 3.16Å; F131-H235 AromaticContact CZ-CG 3.96Å; F131-H235 AromaticContact CZ-NE2 3.68Å; S233-H235 WeakPolarHBondContact CA-NE2 3.35Å; S233-H235 WeakPolarHBondContact CB-NE2 3.49Å; H235-I245 HydrophobicContact CB-CD1 3.79Å; H235-I245 WeakPolarHBondContact O-CD1 3.49Å; H235-V246 HydrophobicContact CB-CG2 4.33Å; H235-E278 PolarHBondContact CE1-O 2.78Å; H235-E278 PolarHBondContact N-O 3.03Å; H235-E278 PolarHBondContact ND1-O 3.42Å; H235-Y279 VanDerWaalsContact C-CE2 3.48Å; H235-Y279 WeakPolarHBondContact ND1-CA 3.31Å; H235-V280 HydrophobicContact CB-CG1 3.76Å; H235-V280 PolarHBondContact ND1-N 3.37Å; H235-N286 PolarHBondContact O-ND2 2.97Å
236	A	98.8	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.			trans	-148.2	152.8	176.2	0	0	0	0	0	110.4	L234 I241 R242 I245	L234-A236 PolarHBondContact O-N 3.31Å; A236-I241 HydrophobicContact CB-CB 3.98Å; A236-I241 HydrophobicContact CB-CG2 3.74Å; A236-R242 HydrophobicContact CB-CB 3.62Å; A236-R242 HydrophobicContact CB-CG 4.02Å; A236-I245 HydrophobicContact CB-CD1 4.07Å
237	P	98.7	Very high	98.6	Very high	6 Å²	6	24 Å²	24	4%	0.039	13%	0.125	C	C	.	.	S	Bend	trans	-90.3	-7.2	-177.7	38.8	-36.2	0	0	0	113.1	I241 Y279 H291 Q294 L295	P237-I241 HydrophobicContact CG-CD1 4.29Å; P237-Y279 WeakPolarHBondContact CD-OH 3.36Å; P237-H291 WeakPolarHBondContact CB-O 3.47Å; P237-H291 HydrophobicContact CG-CB 3.89Å; P237-Q294 HydrophobicContact CB-CB 3.75Å; P237-Q294 HydrophobicContact CG-CB 4.34Å; P237-L295 HydrophobicContact CB-CB 4.01Å
238	N	98.8	Very high	98.5	Very high	31 Å²	31	23.5 Å²	23.5	17%	0.166	12%	0.122	C	C	.	.	S	Bend	trans	-151.9	162.8	-177.6	59.5	52.9	0	0	0	110.6	E240 I241 R242 I254 Q294	N238-E240 VanDerWaalsContact C-N 3.34Å; N238-E240 WeakPolarHBondContact CB-OE2 3.44Å; N238-E240 PolarHBondContact O-N 2.58Å; N238-E240 PolarHBondContact OD1-N 3.49Å; N238-E240 PolarHBondContact OD1-OE2 2.77Å; N238-I241 WeakPolarHBondContact OD1-CB 3.38Å; N238-I241 VanDerWaalsContact OD1-CG1 3.29Å; N238-I241 WeakPolarHBondContact OD1-CG1 3.42Å; N238-I241 PolarHBondContact OD1-N 2.87Å; N238-R242 WeakPolarHBondContact O-CB 3.27Å; N238-R242 PolarHBondContact O-N 3.08Å; N238-I254 WeakPolarHBondContact O-CD1 3.23Å; N238-Q294 PolarHBondContact ND2-OE1 2.8Å
239	D	98.8	Very high	98.5	Very high	44 Å²	44	23.6 Å²	23.6	24%	0.235	12%	0.122	C	C	.	.	H	α-helix	trans	-67.7	-33.6	-174.8	-81.9	-37.4	0	0	0	112.1	R242 D243 N249 N253 I254	D239-R242 PolarHBondContact O-N 3.02Å; D239-D243 VanDerWaalsContact O-CB 3.23Å; D239-D243 WeakPolarHBondContact O-CB 3.41Å; D239-D243 VanDerWaalsContact O-CG 3.29Å; D239-D243 PolarHBondContact O-N 2.88Å; D239-N249 PolarHBondContact O-ND2 2.97Å; D239-N249 PolarHBondContact OD1-ND2 3.13Å; D239-N253 WeakPolarHBondContact OD1-CB 3.3Å; D239-N253 PolarHBondContact OD2-ND2 2.61Å; D239-I254 VanDerWaalsContact OD1-CG1 3.3Å; D239-I254 WeakPolarHBondContact OD1-CG1 3.47Å; D239-I254 PolarHBondContact OD1-N 3.17Å
240	E	98.5	Very high	98.5	Very high	139 Å²	139	29.2 Å²	29.2	65%	0.65	15%	0.145	S	C	*	.	H	α-helix	trans	-64.1	-47.4	-176.6	-62.2	74.8	-163.2	0	0	111.8	N238 R242	N238-E240 VanDerWaalsContact C-N 3.34Å; N238-E240 WeakPolarHBondContact CB-OE2 3.44Å; N238-E240 PolarHBondContact O-N 2.58Å; N238-E240 PolarHBondContact OD1-N 3.49Å; N238-E240 PolarHBondContact OD1-OE2 2.77Å; E240-R242 VanDerWaalsContact C-N 3.35Å
241	I	98.6	Very high	98.5	Very high	33 Å²	33	36.1 Å²	36.1	17%	0.169	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-42.4	174.9	-64.3	172.1	0	0	0	109.3	A236 P237 N238 D243 E244 I245 N286 H291	A236-I241 HydrophobicContact CB-CB 3.98Å; A236-I241 HydrophobicContact CB-CG2 3.74Å; P237-I241 HydrophobicContact CG-CD1 4.29Å; N238-I241 WeakPolarHBondContact OD1-CB 3.38Å; N238-I241 VanDerWaalsContact OD1-CG1 3.29Å; N238-I241 WeakPolarHBondContact OD1-CG1 3.42Å; N238-I241 PolarHBondContact OD1-N 2.87Å; I241-D243 PolarHBondContact O-N 3.35Å; I241-E244 WeakPolarHBondContact O-CB 3.42Å; I241-E244 PolarHBondContact O-N 3.48Å; I241-E244 VanDerWaalsContact O-N 3.11Å; I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 HydrophobicContact CG2-CG1 4.47Å; I241-I245 WeakPolarHBondContact O-CG1 3.36Å; I241-I245 PolarHBondContact O-N 2.81Å; I241-I245 VanDerWaalsContact O-N 3.09Å; I241-N286 HydrophobicContact CG2-CB 4.3Å; I241-H291 WeakPolarHBondContact CD1-NE2 3.45Å
242	R	98.7	Very high	98.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-38.5	-174.9	-157.8	167.8	-179.1	-72	-4.8	112.8	S213 S233 L234 A236 N238 D239 E240 E244 I245 V246 N249 I254	S213-R242 PolarHBondContact O-NH2 3.04Å; S233-R242 PolarHBondContact O-NH2 3.28Å; L234-R242 VanDerWaalsContact O-CD 3.27Å; L234-R242 WeakPolarHBondContact O-CD 3.46Å; L234-R242 PolarHBondContact O-NE 3.1Å; A236-R242 HydrophobicContact CB-CB 3.62Å; A236-R242 HydrophobicContact CB-CG 4.02Å; N238-R242 WeakPolarHBondContact O-CB 3.27Å; N238-R242 PolarHBondContact O-N 3.08Å; D239-R242 PolarHBondContact O-N 3.02Å; E240-R242 VanDerWaalsContact C-N 3.35Å; R242-E244 PolarHBondContact O-N 3.06Å; R242-I245 PolarHBondContact O-N 2.96Å; R242-V246 HydrophobicContact CG-CB 4.15Å; R242-V246 VanDerWaalsContact NH2-CG1 3.35Å; R242-V246 CarbonylContact O-C 3.56Å; R242-V246 VanDerWaalsContact O-C 3.29Å; R242-V246 WeakPolarHBondContact O-CA 3.49Å; R242-V246 PolarHBondContact O-N 2.69Å; R242-V246 VanDerWaalsContact O-O 3.1Å; R242-N249 HydrophobicContact CB-CB 4.15Å; R242-N249 VanDerWaalsContact CD-OD1 3.23Å; R242-N249 WeakPolarHBondContact CD-OD1 3.27Å; R242-N249 HydrophobicContact CG-CB 3.92Å; R242-N249 VanDerWaalsContact NH1-CB 3.28Å; R242-N249 PolarHBondContact NH1-OD1 2.63Å; R242-I254 HydrophobicContact CB-CD1 4.25Å
243	D	98.6	Very high	98.5	Very high	44 Å²	44	40.8 Å²	40.8	24%	0.235	20%	0.197	C	C	.	.	H	α-helix	trans	-55.2	-33.4	173.5	-89.2	8	0	0	0	112.3	D239 I241 N249 K250	D239-D243 VanDerWaalsContact O-CB 3.23Å; D239-D243 WeakPolarHBondContact O-CB 3.41Å; D239-D243 VanDerWaalsContact O-CG 3.29Å; D239-D243 PolarHBondContact O-N 2.88Å; I241-D243 PolarHBondContact O-N 3.35Å; D243-N249 VanDerWaalsContact OD1-CB 3.27Å; D243-N249 WeakPolarHBondContact OD1-CB 3.46Å; D243-N249 PolarHBondContact OD1-ND2 2.69Å; D243-K250 HydrophobicContact CB-CD 4.49Å; D243-K250 HydrophobicContact CB-CG 3.98Å; D243-K250 VanDerWaalsContact CG-CG 3.41Å; D243-K250 VanDerWaalsContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact OD1-CG 3.32Å; D243-K250 PolarHBondContact OD1-N 3.33Å; D243-K250 WeakPolarHBondContact OD2-CG 3.39Å
244	E	97.9	Very high	98.5	Very high	98 Å²	98	40.2 Å²	40.2	46%	0.458	19%	0.193	S	C	.	.	H	α-helix	trans	-78.6	-52	175.9	-73.5	-53.3	124.9	0	0	112.1	K130 I241 R242 K250	K130-E244 WeakPolarHBondContact CD-O 3.33Å; K130-E244 WeakPolarHBondContact CE-O 3.47Å; K130-E244 WeakPolarHBondContact CG-O 3.12Å; K130-E244 PolarHBondContact NZ-O 3.08Å; K130-E244 IonicContact NZ-OE2 3.53Å; K130-E244 PolarHBondContact NZ-OE2 3.05Å; I241-E244 WeakPolarHBondContact O-CB 3.42Å; I241-E244 PolarHBondContact O-N 3.48Å; I241-E244 VanDerWaalsContact O-N 3.11Å; R242-E244 PolarHBondContact O-N 3.06Å; E244-K250 IonicContact OE1-NZ 3.52Å
245	I	98.1	Very high	98.5	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-84.6	-27.3	-170.9	60.3	163.8	0	0	0	114.1	C129 K130 F131 H235 A236 I241 R242 L282 V285	C129-I245 WeakPolarHBondContact CA-O 3.12Å; K130-I245 PolarHBondContact N-O 2.81Å; F131-I245 HydrophobicContact CD1-CB 4.04Å; F131-I245 HydrophobicContact CE1-CB 4.1Å; F131-I245 HydrophobicContact CE1-CD1 4.34Å; F131-I245 HydrophobicContact CE1-CG1 4.44Å; F131-I245 WeakPolarHBondContact CE1-O 3.42Å; H235-I245 HydrophobicContact CB-CD1 3.79Å; H235-I245 WeakPolarHBondContact O-CD1 3.49Å; A236-I245 HydrophobicContact CB-CD1 4.07Å; I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 HydrophobicContact CG2-CG1 4.47Å; I241-I245 WeakPolarHBondContact O-CG1 3.36Å; I241-I245 PolarHBondContact O-N 2.81Å; I241-I245 VanDerWaalsContact O-N 3.09Å; R242-I245 PolarHBondContact O-N 2.96Å; I245-L282 HydrophobicContact CD1-CD1 4.43Å; I245-L282 HydrophobicContact CG2-CD1 4.1Å; I245-V285 HydrophobicContact CG2-CG1 4.26Å
246	V	98.3	Very high	98.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-132.7	81.3	-179.1	-175.6	0	0	0	0	109.7	F131 H235 R242 I248 N249	F131-V246 HydrophobicContact CE1-CG2 3.58Å; F131-V246 HydrophobicContact CZ-CG2 3.83Å; H235-V246 HydrophobicContact CB-CG2 4.33Å; R242-V246 HydrophobicContact CG-CB 4.15Å; R242-V246 VanDerWaalsContact NH2-CG1 3.35Å; R242-V246 CarbonylContact O-C 3.56Å; R242-V246 VanDerWaalsContact O-C 3.29Å; R242-V246 WeakPolarHBondContact O-CA 3.49Å; R242-V246 PolarHBondContact O-N 2.69Å; R242-V246 VanDerWaalsContact O-O 3.1Å; V246-I248 HydrophobicContact CG1-CG2 3.87Å; V246-I248 PolarHBondContact O-N 3.12Å; V246-N249 VanDerWaalsContact O-CB 3.32Å; V246-N249 WeakPolarHBondContact O-CB 3.42Å; V246-N249 PolarHBondContact O-N 2.88Å
247	P	97.8	Very high	98.5	Very high	30 Å²	30	47.3 Å²	47.3	20%	0.195	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-59.5	-20.1	-165.2	-30.4	38.7	0	0	0	117	E128 N249 K250	E128-P247 HydrophobicContact CB-CG 4.33Å; P247-N249 PolarHBondContact O-N 2.94Å; P247-N249 VanDerWaalsContact O-N 3.11Å; P247-K250 WeakPolarHBondContact O-CB 3.23Å; P247-K250 PolarHBondContact O-N 2.89Å; P247-K250 VanDerWaalsContact O-N 3.17Å
248	I	98.1	Very high	98.5	Very high	31 Å²	31	47 Å²	47	16%	0.159	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18	174.3	-164.2	64.2	0	0	0	112.4	L127 S213 V246 K250 K251 Y252	L127-I248 HydrophobicContact CD2-CB 4.38Å; L127-I248 HydrophobicContact CD2-CD1 4.32Å; L127-I248 HydrophobicContact CD2-CG1 4.37Å; S213-I248 WeakPolarHBondContact O-CG2 3.46Å; V246-I248 HydrophobicContact CG1-CG2 3.87Å; V246-I248 PolarHBondContact O-N 3.12Å; I248-K250 PolarHBondContact O-N 2.93Å; I248-K251 HydrophobicContact CD1-CB 4.32Å; I248-K251 HydrophobicContact CD1-CD 4.39Å; I248-K251 WeakPolarHBondContact O-CB 3.39Å; I248-K251 PolarHBondContact O-N 3.18Å; I248-Y252 HydrophobicContact CD1-CD2 4.41Å; I248-Y252 HydrophobicContact CG1-CD2 4.18Å; I248-Y252 PolarHBondContact O-N 3.38Å
249	N	98.7	Very high	98.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-55	-37	173.4	-159.3	70.5	0	0	0	113.4	D239 R242 D243 V246 P247 K251 Y252 N253 I254	D239-N249 PolarHBondContact O-ND2 2.97Å; D239-N249 PolarHBondContact OD1-ND2 3.13Å; R242-N249 HydrophobicContact CB-CB 4.15Å; R242-N249 VanDerWaalsContact CD-OD1 3.23Å; R242-N249 WeakPolarHBondContact CD-OD1 3.27Å; R242-N249 HydrophobicContact CG-CB 3.92Å; R242-N249 VanDerWaalsContact NH1-CB 3.28Å; R242-N249 PolarHBondContact NH1-OD1 2.63Å; D243-N249 VanDerWaalsContact OD1-CB 3.27Å; D243-N249 WeakPolarHBondContact OD1-CB 3.46Å; D243-N249 PolarHBondContact OD1-ND2 2.69Å; V246-N249 VanDerWaalsContact O-CB 3.32Å; V246-N249 WeakPolarHBondContact O-CB 3.42Å; V246-N249 PolarHBondContact O-N 2.88Å; P247-N249 PolarHBondContact O-N 2.94Å; P247-N249 VanDerWaalsContact O-N 3.11Å; N249-K251 PolarHBondContact O-N 3.47Å; N249-Y252 WeakPolarHBondContact CA-O 3.15Å; N249-Y252 CarbonylContact O-C 3.54Å; N249-Y252 PolarHBondContact O-N 3.33Å; N249-Y252 VanDerWaalsContact O-N 3.17Å; N249-N253 WeakPolarHBondContact O-CA 3.45Å; N249-N253 PolarHBondContact O-N 3.28Å; N249-I254 PolarHBondContact OD1-N 3.38Å
250	K	98.1	Very high	98.5	Very high	129 Å²	129	44.9 Å²	44.9	56%	0.561	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-58.6	-23.5	176.8	-66.5	177.4	178.4	175.4	0	112.9	D243 E244 P247 I248	D243-K250 HydrophobicContact CB-CD 4.49Å; D243-K250 HydrophobicContact CB-CG 3.98Å; D243-K250 VanDerWaalsContact CG-CG 3.41Å; D243-K250 VanDerWaalsContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact OD1-CG 3.32Å; D243-K250 PolarHBondContact OD1-N 3.33Å; D243-K250 WeakPolarHBondContact OD2-CG 3.39Å; E244-K250 IonicContact OE1-NZ 3.52Å; P247-K250 WeakPolarHBondContact O-CB 3.23Å; P247-K250 PolarHBondContact O-N 2.89Å; P247-K250 VanDerWaalsContact O-N 3.17Å; I248-K250 PolarHBondContact O-N 2.93Å
251	K	98.3	Very high	98.5	Very high	144 Å²	144	38.2 Å²	38.2	63%	0.626	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-40.4	176.4	-171.4	174.7	-177.1	176.1	0	112.3	I248 N249	I248-K251 HydrophobicContact CD1-CB 4.32Å; I248-K251 HydrophobicContact CD1-CD 4.39Å; I248-K251 WeakPolarHBondContact O-CB 3.39Å; I248-K251 PolarHBondContact O-N 3.18Å; N249-K251 PolarHBondContact O-N 3.47Å
252	Y	98.5	Very high	98.5	Very high	43 Å²	43	40.1 Å²	40.1	17%	0.169	20%	0.195	C	C	.	.	S	Bend	trans	-132.8	93.2	178.8	-52.9	-61.9	0	0	0	108.8	G214 V215 V216 P217 I248 N249	G214-Y252 VanDerWaalsContact O-CD2 3.29Å; G214-Y252 WeakPolarHBondContact O-CD2 3.07Å; V215-Y252 HydrophobicContact CG1-CE2 4.44Å; V216-Y252 HydrophobicContact CB-CD1 3.99Å; V216-Y252 HydrophobicContact CB-CE1 4.42Å; V216-Y252 HydrophobicContact CB-CG 4.07Å; V216-Y252 HydrophobicContact CG2-CD1 4.32Å; V216-Y252 HydrophobicContact CG2-CG 4.05Å; P217-Y252 VanDerWaalsContact CD-CZ 3.43Å; P217-Y252 WeakPolarHBondContact CD-OH 3.31Å; P217-Y252 HydrophobicContact CG-CE1 4.08Å; P217-Y252 WeakPolarHBondContact CG-OH 3.33Å; I248-Y252 HydrophobicContact CD1-CD2 4.41Å; I248-Y252 HydrophobicContact CG1-CD2 4.18Å; I248-Y252 PolarHBondContact O-N 3.38Å; N249-Y252 WeakPolarHBondContact CA-O 3.15Å; N249-Y252 CarbonylContact O-C 3.54Å; N249-Y252 PolarHBondContact O-N 3.33Å; N249-Y252 VanDerWaalsContact O-N 3.17Å
253	N	98.6	Very high	98.5	Very high	56 Å²	56	44.6 Å²	44.6	30%	0.299	21%	0.212	S	C	.	.			trans	-67.2	172.2	-176.3	83	-24.9	0	0	0	112.1	D239 N249 E255 T256 F257	D239-N253 WeakPolarHBondContact OD1-CB 3.3Å; D239-N253 PolarHBondContact OD2-ND2 2.61Å; N249-N253 WeakPolarHBondContact O-CA 3.45Å; N249-N253 PolarHBondContact O-N 3.28Å; N253-E255 PolarHBondContact O-N 3.31Å; N253-T256 PolarHBondContact O-N 2.8Å; N253-T256 VanDerWaalsContact OD1-CB 3.23Å; N253-T256 WeakPolarHBondContact OD1-CB 3.43Å; N253-T256 PolarHBondContact OD1-N 3.13Å; N253-T256 PolarHBondContact OD1-OG1 3.45Å; N253-F257 WeakPolarHBondContact O-CB 3.27Å; N253-F257 PolarHBondContact O-N 2.86Å
254	I	98.8	Very high	98.5	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-56	-49.8	-173.1	-69.4	172.8	0	0	0	111.8	L234 N238 D239 R242 N249 T256 F257 L258 L298	L234-I254 HydrophobicContact CD1-CD1 4.32Å; L234-I254 HydrophobicContact CD1-CG1 4.05Å; L234-I254 HydrophobicContact CD1-CG2 4.09Å; N238-I254 WeakPolarHBondContact O-CD1 3.23Å; D239-I254 VanDerWaalsContact OD1-CG1 3.3Å; D239-I254 WeakPolarHBondContact OD1-CG1 3.47Å; D239-I254 PolarHBondContact OD1-N 3.17Å; R242-I254 HydrophobicContact CB-CD1 4.25Å; N249-I254 PolarHBondContact OD1-N 3.38Å; I254-T256 PolarHBondContact O-N 3.3Å; I254-F257 CarbonylContact O-C 3.59Å; I254-F257 WeakPolarHBondContact O-CB 3.35Å; I254-F257 PolarHBondContact O-N 3.17Å; I254-F257 VanDerWaalsContact O-N 3.1Å; I254-L258 HydrophobicContact CG2-CD1 3.78Å; I254-L258 HydrophobicContact CG2-CG 4.03Å; I254-L258 WeakPolarHBondContact O-CG 3.2Å; I254-L258 PolarHBondContact O-N 3.11Å; I254-L298 HydrophobicContact CD1-CD2 4.27Å; I254-L298 HydrophobicContact CG2-CD1 3.6Å; I254-L298 HydrophobicContact CG2-CD2 3.69Å; I254-L298 HydrophobicContact CG2-CG 4.12Å
255	E	98.6	Very high	98.5	Very high	94 Å²	94	39.1 Å²	39.1	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-62.9	-41.2	-178.5	-79	-55	135.4	0	0	112.7	N253 F257 L258 A259 R262	N253-E255 PolarHBondContact O-N 3.31Å; E255-F257 VanDerWaalsContact C-N 3.25Å; E255-F257 PolarHBondContact O-N 3.28Å; E255-L258 PolarHBondContact O-N 2.67Å; E255-A259 VanDerWaalsContact O-CB 3.29Å; E255-A259 WeakPolarHBondContact O-CB 3.26Å; E255-A259 PolarHBondContact O-N 3.1Å; E255-R262 IonicContact OE2-NH2 2.78Å
256	T	98.6	Very high	98.5	Very high	64 Å²	64	46.6 Å²	46.6	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-39.7	175	-56.9	0	0	0	0	110.7	V216 N253 I254 A260	V216-T256 HydrophobicContact CG1-CG2 4.22Å; V216-T256 HydrophobicContact CG2-CG2 4.2Å; N253-T256 PolarHBondContact O-N 2.8Å; N253-T256 VanDerWaalsContact OD1-CB 3.23Å; N253-T256 WeakPolarHBondContact OD1-CB 3.43Å; N253-T256 PolarHBondContact OD1-N 3.13Å; N253-T256 PolarHBondContact OD1-OG1 3.45Å; I254-T256 PolarHBondContact O-N 3.3Å; T256-A260 PolarHBondContact O-N 3.2Å
257	F	98.8	Very high	98.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.6	-48.4	178.1	-174.8	-160.2	0	0	0	112.4	T212 G214 V216 L219 I232 N253 I254 E255 A259 A260 V261	T212-F257 HydrophobicContact CG2-CE2 4.17Å; T212-F257 HydrophobicContact CG2-CZ 4Å; G214-F257 VanDerWaalsContact CA-CE2 3.4Å; V216-F257 HydrophobicContact CG2-CB 4.24Å; V216-F257 HydrophobicContact CG2-CD2 4.3Å; L219-F257 HydrophobicContact CD2-CD2 4.44Å; L219-F257 HydrophobicContact CD2-CE2 4.09Å; I232-F257 HydrophobicContact CB-CE1 3.85Å; I232-F257 HydrophobicContact CB-CE2 4.36Å; I232-F257 HydrophobicContact CB-CZ 3.48Å; I232-F257 VanDerWaalsContact CB-CZ 3.48Å; I232-F257 HydrophobicContact CD1-CE1 4.3Å; I232-F257 HydrophobicContact CD1-CZ 4.4Å; I232-F257 HydrophobicContact CG2-CE1 4.22Å; I232-F257 HydrophobicContact CG2-CE2 3.81Å; I232-F257 HydrophobicContact CG2-CZ 3.39Å; N253-F257 WeakPolarHBondContact O-CB 3.27Å; N253-F257 PolarHBondContact O-N 2.86Å; I254-F257 CarbonylContact O-C 3.59Å; I254-F257 WeakPolarHBondContact O-CB 3.35Å; I254-F257 PolarHBondContact O-N 3.17Å; I254-F257 VanDerWaalsContact O-N 3.1Å; E255-F257 VanDerWaalsContact C-N 3.25Å; E255-F257 PolarHBondContact O-N 3.28Å; F257-A259 VanDerWaalsContact C-N 3.3Å; F257-A259 PolarHBondContact O-N 3.21Å; F257-A260 WeakPolarHBondContact O-CB 3.38Å; F257-A260 PolarHBondContact O-N 3.32Å; F257-A260 VanDerWaalsContact O-N 3.07Å; F257-V261 HydrophobicContact CD2-CG2 3.99Å; F257-V261 HydrophobicContact CE2-CG2 3.83Å; F257-V261 WeakPolarHBondContact O-CG2 3.33Å; F257-V261 PolarHBondContact O-N 2.95Å
258	L	98.8	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-35.8	178.5	-65.1	-177.5	0	0	0	111.9	I232 I254 E255 A260 V261 R262 L298 L299 T302	I232-L258 HydrophobicContact CD1-CD2 3.8Å; I254-L258 HydrophobicContact CG2-CD1 3.78Å; I254-L258 HydrophobicContact CG2-CG 4.03Å; I254-L258 WeakPolarHBondContact O-CG 3.2Å; I254-L258 PolarHBondContact O-N 3.11Å; E255-L258 PolarHBondContact O-N 2.67Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 3.41Å; L258-V261 WeakPolarHBondContact O-CB 3.48Å; L258-V261 PolarHBondContact O-N 3.22Å; L258-R262 WeakPolarHBondContact O-CG 3.41Å; L258-R262 PolarHBondContact O-N 2.9Å; L258-L298 HydrophobicContact CD1-CD1 4Å; L258-L298 HydrophobicContact CD1-CG 4.1Å; L258-L299 HydrophobicContact CD1-CD2 4.24Å; L258-L299 HydrophobicContact CD2-CD2 4.27Å; L258-T302 HydrophobicContact CD2-CG2 4.39Å
259	A	98.7	Very high	98.4	Very high	30 Å²	30	55.2 Å²	55.2	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-40.9	172.4	0	0	0	0	0	112.3	E255 F257 R262 R263	E255-A259 VanDerWaalsContact O-CB 3.29Å; E255-A259 WeakPolarHBondContact O-CB 3.26Å; E255-A259 PolarHBondContact O-N 3.1Å; F257-A259 VanDerWaalsContact C-N 3.3Å; F257-A259 PolarHBondContact O-N 3.21Å; A259-R262 PolarHBondContact O-N 3.38Å; A259-R263 PolarHBondContact O-N 3.16Å; A259-R263 VanDerWaalsContact O-N 3.17Å; A259-R263 PolarHBondContact O-NH1 2.98Å
260	A	98.7	Very high	98.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-37.9	175.9	0	0	0	0	0	112.5	V216 L219 T256 F257 L258 R262 R263 Y264	V216-A260 HydrophobicContact CB-CB 4.4Å; V216-A260 HydrophobicContact CG1-CB 3.78Å; V216-A260 HydrophobicContact CG2-CB 4.13Å; L219-A260 HydrophobicContact CD2-CB 3.98Å; T256-A260 PolarHBondContact O-N 3.2Å; F257-A260 WeakPolarHBondContact O-CB 3.38Å; F257-A260 PolarHBondContact O-N 3.32Å; F257-A260 VanDerWaalsContact O-N 3.07Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 3.41Å; A260-R262 VanDerWaalsContact C-N 3.35Å; A260-R262 PolarHBondContact O-N 2.79Å; A260-R263 PolarHBondContact O-N 2.82Å; A260-Y264 PolarHBondContact O-N 2.91Å
261	V	98.7	Very high	98.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-45.5	173.5	171.4	0	0	0	0	110.8	L219 L230 I232 F257 L258 R263 Y264 L265 V275	L219-V261 HydrophobicContact CD2-CG2 4.04Å; L230-V261 HydrophobicContact CD2-CG1 4.33Å; L230-V261 HydrophobicContact CD2-CG2 4.34Å; I232-V261 HydrophobicContact CD1-CG2 4.05Å; I232-V261 HydrophobicContact CG2-CG2 3.7Å; F257-V261 HydrophobicContact CD2-CG2 3.99Å; F257-V261 HydrophobicContact CE2-CG2 3.83Å; F257-V261 WeakPolarHBondContact O-CG2 3.33Å; F257-V261 PolarHBondContact O-N 2.95Å; L258-V261 WeakPolarHBondContact O-CB 3.48Å; L258-V261 PolarHBondContact O-N 3.22Å; V261-R263 PolarHBondContact O-N 2.93Å; V261-Y264 WeakPolarHBondContact O-CB 3.45Å; V261-Y264 PolarHBondContact O-N 2.96Å; V261-Y264 VanDerWaalsContact O-N 3.17Å; V261-L265 HydrophobicContact CG1-CD1 4.18Å; V261-L265 HydrophobicContact CG1-CG 4.31Å; V261-L265 WeakPolarHBondContact O-CG 3.36Å; V261-L265 PolarHBondContact O-N 3.02Å; V261-V275 HydrophobicContact CG1-CB 3.76Å; V261-V275 HydrophobicContact CG1-CG1 3.82Å; V261-V275 HydrophobicContact CG1-CG2 3.77Å
262	R	98.6	Very high	98.3	Very high	72 Å²	72	49.2 Å²	49.2	27%	0.272	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-45.6	176.6	-71.2	-175.9	-66.6	-96.2	6.7	111.8	E255 L258 A259 A260 Y264 L265 E266 T302	E255-R262 IonicContact OE2-NH2 2.78Å; L258-R262 WeakPolarHBondContact O-CG 3.41Å; L258-R262 PolarHBondContact O-N 2.9Å; A259-R262 PolarHBondContact O-N 3.38Å; A260-R262 VanDerWaalsContact C-N 3.35Å; A260-R262 PolarHBondContact O-N 2.79Å; R262-Y264 VanDerWaalsContact C-N 3.31Å; R262-Y264 PolarHBondContact O-N 2.95Å; R262-L265 PolarHBondContact O-N 2.88Å; R262-L265 VanDerWaalsContact O-N 3.16Å; R262-E266 WeakPolarHBondContact O-CG 3.37Å; R262-E266 PolarHBondContact O-N 2.86Å; R262-T302 PolarHBondContact NH1-OG1 3.46Å; R262-T302 VanDerWaalsContact NH1-OG1 3.08Å
263	R	98.5	Very high	98.2	Very high	95 Å²	95	49 Å²	49	36%	0.358	25%	0.248	S	C	.	.	H	α-helix	trans	-58.9	-39	174	-69.6	-169	-59.3	-87.6	8.5	113.1	D220 A259 A260 V261	D220-R263 VanDerWaalsContact CG-NH2 3.31Å; D220-R263 IonicContact OD1-CZ 3.12Å; D220-R263 IonicContact OD1-NE 3.49Å; D220-R263 PolarHBondContact OD1-NE 3.46Å; D220-R263 IonicContact OD1-NH2 3.79Å; D220-R263 PolarHBondContact OD1-NH2 2.67Å; D220-R263 IonicContact OD2-CZ 2.69Å; D220-R263 IonicContact OD2-NE 3.76Å; D220-R263 IonicContact OD2-NH2 2.95Å; D220-R263 PolarHBondContact OD2-NH2 3.5Å; A259-R263 PolarHBondContact O-N 3.16Å; A259-R263 VanDerWaalsContact O-N 3.17Å; A259-R263 PolarHBondContact O-NH1 2.98Å; A260-R263 PolarHBondContact O-N 2.82Å; V261-R263 PolarHBondContact O-N 2.93Å
264	Y	98.7	Very high	98.2	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-45	175	-176.6	-91.1	0	0	0	111.3	L219 L222 V228 L230 A260 V261 R262 E266 K267 S268 N271	L219-Y264 HydrophobicContact CD1-CD2 3.95Å; L219-Y264 HydrophobicContact CD1-CG 4.14Å; L222-Y264 HydrophobicContact CD2-CE2 3.85Å; L222-Y264 HydrophobicContact CG-CE2 4.05Å; V228-Y264 WeakPolarHBondContact CG2-OH 3.34Å; V228-Y264 PolarHBondContact N-OH 3.38Å; V228-Y264 PolarHBondContact O-OH 3.32Å; L230-Y264 HydrophobicContact CB-CD1 4.12Å; L230-Y264 HydrophobicContact CB-CE1 3.82Å; L230-Y264 HydrophobicContact CD2-CD1 3.67Å; L230-Y264 HydrophobicContact CD2-CE1 4.17Å; L230-Y264 HydrophobicContact CD2-CG 4.15Å; L230-Y264 HydrophobicContact CG-CD1 4.46Å; L230-Y264 HydrophobicContact CG-CE1 4.5Å; A260-Y264 PolarHBondContact O-N 2.91Å; V261-Y264 WeakPolarHBondContact O-CB 3.45Å; V261-Y264 PolarHBondContact O-N 2.96Å; V261-Y264 VanDerWaalsContact O-N 3.17Å; R262-Y264 VanDerWaalsContact C-N 3.31Å; R262-Y264 PolarHBondContact O-N 2.95Å; Y264-E266 VanDerWaalsContact C-N 3.31Å; Y264-E266 PolarHBondContact O-N 2.78Å; Y264-K267 PolarHBondContact O-N 2.91Å; Y264-K267 VanDerWaalsContact O-N 3.15Å; Y264-S268 WeakPolarHBondContact O-CB 3.47Å; Y264-S268 PolarHBondContact O-N 2.82Å; Y264-N271 WeakPolarHBondContact CE1-ND2 3.42Å
265	L	98.4	Very high	98.2	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-34.8	179.2	-70	-179.5	0	0	0	113	V261 R262 K267 S268 N271 V275	V261-L265 HydrophobicContact CG1-CD1 4.18Å; V261-L265 HydrophobicContact CG1-CG 4.31Å; V261-L265 WeakPolarHBondContact O-CG 3.36Å; V261-L265 PolarHBondContact O-N 3.02Å; R262-L265 PolarHBondContact O-N 2.88Å; R262-L265 VanDerWaalsContact O-N 3.16Å; L265-K267 PolarHBondContact O-N 2.88Å; L265-S268 PolarHBondContact O-N 2.74Å; L265-N271 HydrophobicContact CD2-CB 3.41Å; L265-N271 VanDerWaalsContact CD2-CB 3.41Å; L265-V275 HydrophobicContact CD1-CB 4.14Å; L265-V275 HydrophobicContact CD1-CG1 4.43Å; L265-V275 HydrophobicContact CD2-CB 4.33Å
266	E	97.9	Very high	98.2	Very high	160 Å²	160	48.7 Å²	48.7	75%	0.748	24%	0.242	S	C	*	.	H	α-helix	trans	-59.1	-31.8	175.6	-74.9	171.3	-178.3	0	0	113	R262 Y264	R262-E266 WeakPolarHBondContact O-CG 3.37Å; R262-E266 PolarHBondContact O-N 2.86Å; Y264-E266 VanDerWaalsContact C-N 3.31Å; Y264-E266 PolarHBondContact O-N 2.78Å
267	K	97.1	Very high	98.2	Very high	118 Å²	118	45.6 Å²	45.6	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-94.6	-18.9	179.7	-59.4	176.7	-178.9	177.7	0	113.1	D224 Y264 L265	D224-K267 IonicContact OD1-NZ 2.72Å; D224-K267 PolarHBondContact OD1-NZ 2.85Å; Y264-K267 PolarHBondContact O-N 2.91Å; Y264-K267 VanDerWaalsContact O-N 3.15Å; L265-K267 PolarHBondContact O-N 2.88Å
268	S	97.4	Very high	98.2	Very high	8 Å²	8	46 Å²	46	6%	0.056	23%	0.226	C	C	.	.			trans	-93.8	127.8	-168	134.4	0	0	0	0	113.1	D227 Y264 L265 A270 N271	D227-S268 VanDerWaalsContact OD1-CA 3.26Å; D227-S268 WeakPolarHBondContact OD1-CA 3.34Å; D227-S268 WeakPolarHBondContact OD1-CB 3.01Å; D227-S268 PolarHBondContact OD1-OG 3.17Å; Y264-S268 WeakPolarHBondContact O-CB 3.47Å; Y264-S268 PolarHBondContact O-N 2.82Å; L265-S268 PolarHBondContact O-N 2.74Å; S268-A270 PolarHBondContact OG-N 3.42Å; S268-N271 WeakPolarHBondContact OG-CB 3.34Å; S268-N271 PolarHBondContact OG-N 2.99Å; S268-N271 VanDerWaalsContact OG-N 3.15Å; S268-N271 PolarHBondContact OG-ND2 2.98Å
269	N	97.3	Very high	98.2	Very high	116 Å²	116	46 Å²	46	62%	0.62	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.9	167.5	-80	-38.6	0	0	0	112.3	D227	D227-N269 PolarHBondContact OD1-N 3.21Å; D227-N269 WeakPolarHBondContact OD2-CB 3.38Å; D227-N269 PolarHBondContact OD2-N 3.11Å
270	A	98	Very high	98.2	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-36.7	177.8	0	0	0	0	0	113	K205 R206 D227 S268 Q272	K205-A270 HydrophobicContact CB-CB 3.95Å; K205-A270 HydrophobicContact CD-CB 3.96Å; K205-A270 HydrophobicContact CG-CB 3.8Å; R206-A270 WeakPolarHBondContact CG-O 3.24Å; D227-A270 WeakPolarHBondContact OD1-CB 3.47Å; D227-A270 PolarHBondContact OD1-N 2.99Å; D227-A270 PolarHBondContact OD2-N 2.82Å; S268-A270 PolarHBondContact OG-N 3.42Å; A270-Q272 VanDerWaalsContact C-N 3.35Å
271	N	98.1	Very high	98.2	Very high	15 Å²	15	44.9 Å²	44.9	8%	0.08	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.6	-177	-72.1	-84.7	0	0	0	114.3	V228 L230 Y264 L265 S268 G273 R274	V228-N271 PolarHBondContact O-ND2 3.06Å; L230-N271 PolarHBondContact N-ND2 3.27Å; L230-N271 PolarHBondContact N-OD1 3.29Å; L230-N271 PolarHBondContact O-OD1 2.93Å; Y264-N271 WeakPolarHBondContact CE1-ND2 3.42Å; L265-N271 HydrophobicContact CD2-CB 3.41Å; L265-N271 VanDerWaalsContact CD2-CB 3.41Å; S268-N271 WeakPolarHBondContact OG-CB 3.34Å; S268-N271 PolarHBondContact OG-N 2.99Å; S268-N271 VanDerWaalsContact OG-N 3.15Å; S268-N271 PolarHBondContact OG-ND2 2.98Å; N271-G273 PolarHBondContact O-N 2.72Å; N271-R274 PolarHBondContact O-N 2.74Å; N271-R274 VanDerWaalsContact O-O 3.12Å
272	Q	97.1	Very high	98.2	Very high	130 Å²	130	44.9 Å²	44.9	61%	0.607	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	43.6	-173.3	-57.1	-152	-92.7	0	0	112.9	R206 A270 R274	R206-Q272 VanDerWaalsContact CZ-NE2 3.34Å; A270-Q272 VanDerWaalsContact C-N 3.35Å; Q272-R274 VanDerWaalsContact C-N 3.28Å; Q272-R274 PolarHBondContact O-N 2.79Å
273	G	96.8	Very high	98.2	Very high	39 Å²	39	44 Å²	44	40%	0.402	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	9.6	179	0	0	0	0	0	115.6	N271 P303	N271-G273 PolarHBondContact O-N 2.72Å; G273-P303 VanDerWaalsContact O-CB 3.25Å; G273-P303 WeakPolarHBondContact O-CB 3.47Å
274	R	98.4	Very high	98.2	Very high	110 Å²	110	45.8 Å²	45.8	42%	0.415	23%	0.228	S	C	.	.			trans	-134.6	124.1	178.1	-67.9	-175.1	167.5	-161.1	-0.4	112.7	N271 Q272 P303 T340	N271-R274 PolarHBondContact O-N 2.74Å; N271-R274 VanDerWaalsContact O-O 3.12Å; Q272-R274 VanDerWaalsContact C-N 3.28Å; Q272-R274 PolarHBondContact O-N 2.79Å; R274-P303 WeakPolarHBondContact CA-O 3.4Å; R274-P303 HydrophobicContact CG-CB 4.4Å; R274-T340 PolarHBondContact NH1-OG1 3.09Å
275	V	98.7	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	151.1	169	66.4	0	0	0	0	110.8	L230 I232 V261 L265 I277 T302 P303 C304 K305	L230-V275 HydrophobicContact CB-CG2 4.47Å; L230-V275 HydrophobicContact CD2-CG2 4.21Å; L230-V275 HydrophobicContact CG-CG2 4.19Å; I232-V275 HydrophobicContact CG1-CG2 4.26Å; I232-V275 HydrophobicContact CG2-CG2 4.02Å; V261-V275 HydrophobicContact CG1-CB 3.76Å; V261-V275 HydrophobicContact CG1-CG1 3.82Å; V261-V275 HydrophobicContact CG1-CG2 3.77Å; L265-V275 HydrophobicContact CD1-CB 4.14Å; L265-V275 HydrophobicContact CD1-CG1 4.43Å; L265-V275 HydrophobicContact CD2-CB 4.33Å; V275-I277 HydrophobicContact CG1-CD1 3.85Å; V275-T302 HydrophobicContact CG1-CG2 4.02Å; V275-P303 PolarHBondContact N-O 2.95Å; V275-P303 VanDerWaalsContact N-O 3.13Å; V275-C304 HydrophobicContact CG1-CB 3.7Å; V275-C304 CarbonylContact O-C 3.56Å; V275-C304 WeakPolarHBondContact O-CA 3.42Å; V275-C304 VanDerWaalsContact O-CB 3.3Å; V275-C304 WeakPolarHBondContact O-CB 3.35Å; V275-K305 PolarHBondContact O-N 3.35Å
276	T	98.8	Very high	98.2	Very high	35 Å²	35	46.9 Å²	46.9	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.1	168.2	-59.8	0	0	0	0	110.1	L230 A231 I232 K305 N307	L230-T276 PolarHBondContact O-N 2.81Å; A231-T276 CarbonylContact C-O 3.59Å; A231-T276 VanDerWaalsContact CA-O 3.25Å; A231-T276 WeakPolarHBondContact CA-O 3.19Å; A231-T276 HydrophobicContact CB-CG2 4.41Å; I232-T276 PolarHBondContact N-O 2.88Å; T276-K305 WeakPolarHBondContact CA-O 3.44Å; T276-N307 HydrophobicContact CG2-CB 4.19Å; T276-N307 VanDerWaalsContact CG2-ND2 3.31Å; T276-N307 WeakPolarHBondContact CG2-ND2 3.26Å
277	I	98.9	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.7	173.5	-52.7	-60.9	0	0	0	108.4	I232 L234 V275 L299 C304 K305 I306 N307	I232-I277 HydrophobicContact CD1-CD1 3.48Å; I232-I277 VanDerWaalsContact CD1-CD1 3.48Å; I232-I277 HydrophobicContact CG1-CD1 3.62Å; L234-I277 HydrophobicContact CB-CG2 3.85Å; L234-I277 HydrophobicContact CD2-CG2 3.8Å; L234-I277 HydrophobicContact CG-CG2 4.47Å; V275-I277 HydrophobicContact CG1-CD1 3.85Å; I277-L299 HydrophobicContact CD1-CD2 4.01Å; I277-L299 HydrophobicContact CG1-CD1 3.99Å; I277-L299 HydrophobicContact CG1-CD2 4.34Å; I277-L299 HydrophobicContact CG2-CD1 4.41Å; I277-C304 HydrophobicContact CD1-CB 4.14Å; I277-C304 HydrophobicContact CG1-CB 3.72Å; I277-K305 PolarHBondContact N-O 3.19Å; I277-I306 HydrophobicContact CB-CG1 4.29Å; I277-I306 HydrophobicContact CG1-CG1 4.41Å; I277-N307 PolarHBondContact O-N 2.88Å
278	E	98.8	Very high	98.3	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.5	169.2	-61.7	-169.2	118.4	0	0	109.8	M176 S211 A231 I232 L234 H235 I309 R344	M176-E278 WeakPolarHBondContact CE-OE1 3.48Å; M176-E278 VanDerWaalsContact SD-OE1 3.4Å; S211-E278 PolarHBondContact OG-OE2 3.35Å; A231-E278 HydrophobicContact CB-CG 4.2Å; I232-E278 WeakPolarHBondContact O-CB 3.3Å; I232-E278 PolarHBondContact O-N 3.26Å; L234-E278 PolarHBondContact N-O 3.47Å; L234-E278 VanDerWaalsContact N-O 3.11Å; H235-E278 PolarHBondContact CE1-O 2.78Å; H235-E278 PolarHBondContact N-O 3.03Å; H235-E278 PolarHBondContact ND1-O 3.42Å; E278-I309 HydrophobicContact CB-CD1 3.92Å; E278-I309 HydrophobicContact CG-CD1 4.25Å; E278-R344 IonicContact OE1-NH1 2.68Å; E278-R344 PolarHBondContact OE1-NH1 2.91Å
279	Y	98.8	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.1	-177.8	-162.7	-77.4	0	0	0	109.9	H235 P237 M281 N286 L295 N307 L308 I309 F330	H235-Y279 VanDerWaalsContact C-CE2 3.48Å; H235-Y279 WeakPolarHBondContact ND1-CA 3.31Å; P237-Y279 WeakPolarHBondContact CD-OH 3.36Å; Y279-M281 HydrophobicContact CD1-SD 3.62Å; Y279-M281 HydrophobicContact CE1-SD 3.98Å; Y279-N286 HydrophobicContact CE1-CB 4.28Å; Y279-N286 WeakPolarHBondContact CE1-O 3.47Å; Y279-N286 WeakPolarHBondContact OH-CB 3.4Å; Y279-N286 PolarHBondContact OH-O 3.34Å; Y279-L295 HydrophobicContact CD2-CD1 4.33Å; Y279-L295 HydrophobicContact CD2-CD2 3.65Å; Y279-L295 HydrophobicContact CE2-CD1 4.22Å; Y279-L295 HydrophobicContact CE2-CD2 3.72Å; Y279-L295 HydrophobicContact CG-CD2 4.33Å; Y279-N307 PolarHBondContact N-O 3.12Å; Y279-L308 HydrophobicContact CD1-CD2 4.4Å; Y279-L308 HydrophobicContact CG-CD2 4.45Å; Y279-L308 CarbonylContact O-C 3.56Å; Y279-L308 WeakPolarHBondContact O-CA 3.36Å; Y279-I309 PolarHBondContact O-N 3.47Å; Y279-F330 HydrophobicContact CD1-CE1 4.4Å; Y279-F330 HydrophobicContact CD1-CZ 4.3Å; Y279-F330 HydrophobicContact CE1-CE1 4.26Å; Y279-F330 HydrophobicContact CE1-CE2 4.35Å; Y279-F330 AromaticContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE2-CZ 4.47Å; Y279-F330 AromaticContact CZ-CZ 3.81Å
280	V	98.4	Very high	98.4	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.2	179	62.4	0	0	0	0	109.7	F131 H235 L282 N286 I309 W311	F131-V280 HydrophobicContact CD1-CG1 4.09Å; F131-V280 HydrophobicContact CD2-CG1 3.98Å; F131-V280 HydrophobicContact CD2-CG2 4.4Å; F131-V280 HydrophobicContact CE1-CG1 4.12Å; F131-V280 HydrophobicContact CE2-CG1 4.03Å; F131-V280 HydrophobicContact CG-CG1 4.06Å; F131-V280 HydrophobicContact CZ-CG1 4.12Å; H235-V280 HydrophobicContact CB-CG1 3.76Å; H235-V280 PolarHBondContact ND1-N 3.37Å; V280-L282 HydrophobicContact CG1-CD1 4.25Å; V280-L282 HydrophobicContact CG1-CD2 4.45Å; V280-L282 HydrophobicContact CG1-CG 4.1Å; V280-L282 HydrophobicContact CG2-CD2 4.01Å; V280-L282 HydrophobicContact CG2-CG 4.37Å; V280-N286 PolarHBondContact O-ND2 2.92Å; V280-N286 PolarHBondContact O-OD1 2.97Å; V280-I309 CarbonylContact C-O 3.51Å; V280-I309 WeakPolarHBondContact CA-O 3.32Å; V280-W311 HydrophobicContact CG2-CB 3.73Å; V280-W311 HydrophobicContact CG2-CG 4.09Å
281	M	98.6	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	98.5	-176.5	-57.1	-58.8	-67.6	0	0	109.3	Y279 D287 L308 I309 W311 S322 I327 F330	Y279-M281 HydrophobicContact CD1-SD 3.62Å; Y279-M281 HydrophobicContact CE1-SD 3.98Å; M281-D287 HydrophobicContact CE-CB 3.76Å; M281-L308 HydrophobicContact CG-CB 4.19Å; M281-L308 HydrophobicContact SD-CB 4.18Å; M281-L308 HydrophobicContact SD-CD1 4.41Å; M281-L308 HydrophobicContact SD-CD2 3.92Å; M281-L308 HydrophobicContact SD-CG 4.39Å; M281-I309 PolarHBondContact N-O 3.29Å; M281-W311 WeakPolarHBondContact O-CB 3.31Å; M281-S322 PolarHBondContact O-N 2.78Å; M281-S322 PolarHBondContact O-OG 3.24Å; M281-I327 HydrophobicContact CB-CD1 4.26Å; M281-I327 HydrophobicContact CB-CG1 4.07Å; M281-I327 HydrophobicContact CE-CG1 4.25Å; M281-I327 HydrophobicContact CG-CD1 4.46Å; M281-I327 HydrophobicContact CG-CG1 4.1Å; M281-F330 HydrophobicContact CE-CB 3.77Å; M281-F330 HydrophobicContact CE-CD1 3.83Å; M281-F330 HydrophobicContact CE-CD2 3.87Å; M281-F330 HydrophobicContact CE-CE1 4.35Å; M281-F330 HydrophobicContact CE-CE2 4.4Å; M281-F330 HydrophobicContact CE-CG 3.56Å; M281-F330 HydrophobicContact SD-CD1 4.31Å; M281-F330 HydrophobicContact SD-CE1 4.41Å
282	L	98.6	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-101.3	122.2	-179	-58.7	176.1	0	0	0	109.6	F131 I245 V280 H284 V285 N286 W311 Y319 S322	F131-L282 HydrophobicContact CB-CD1 4.24Å; F131-L282 HydrophobicContact CB-CD2 3.91Å; F131-L282 HydrophobicContact CD1-CD1 4.16Å; F131-L282 HydrophobicContact CG-CD1 4.45Å; I245-L282 HydrophobicContact CD1-CD1 4.43Å; I245-L282 HydrophobicContact CG2-CD1 4.1Å; V280-L282 HydrophobicContact CG1-CD1 4.25Å; V280-L282 HydrophobicContact CG1-CD2 4.45Å; V280-L282 HydrophobicContact CG1-CG 4.1Å; V280-L282 HydrophobicContact CG2-CD2 4.01Å; V280-L282 HydrophobicContact CG2-CG 4.37Å; L282-H284 PolarHBondContact O-N 2.85Å; L282-V285 HydrophobicContact CB-CB 3.83Å; L282-V285 HydrophobicContact CB-CG1 4.39Å; L282-V285 HydrophobicContact CB-CG2 4.3Å; L282-V285 HydrophobicContact CD1-CG1 4.36Å; L282-V285 PolarHBondContact O-N 3.3Å; L282-V285 VanDerWaalsContact O-N 3.09Å; L282-N286 WeakPolarHBondContact CB-OD1 3.23Å; L282-N286 PolarHBondContact N-OD1 3.37Å; L282-N286 PolarHBondContact O-N 2.89Å; L282-N286 PolarHBondContact O-OD1 3.37Å; L282-W311 HydrophobicContact CD2-CB 3.82Å; L282-W311 HydrophobicContact CD2-CD2 4.13Å; L282-W311 HydrophobicContact CD2-CG 3.53Å; L282-Y319 HydrophobicContact CD1-CD1 4.43Å; L282-Y319 HydrophobicContact CD1-CD2 4.47Å; L282-Y319 HydrophobicContact CD1-CG 4.41Å; L282-Y319 HydrophobicContact CD2-CD2 4.3Å; L282-Y319 HydrophobicContact CD2-CG 4.11Å; L282-S322 PolarHBondContact N-OG 2.83Å
283	D	98.5	Very high	98.5	Very high	54 Å²	54	33.7 Å²	33.7	29%	0.289	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	120.4	-171.6	-169.4	60.4	0	0	0	111.9	V285 G320 S322	D283-V285 PolarHBondContact O-N 2.96Å; D283-V285 VanDerWaalsContact O-N 3.1Å; D283-G320 WeakPolarHBondContact CB-O 3.41Å; D283-G320 PolarHBondContact N-O 3.42Å; D283-S322 PolarHBondContact N-OG 2.8Å
284	H	98.4	Very high	98.6	Very high	131 Å²	131	36.1 Å²	36.1	61%	0.606	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	19.8	-179.2	-63.5	87	0	0	0	115.3	L282 D287 R326	L282-H284 PolarHBondContact O-N 2.85Å; H284-D287 WeakPolarHBondContact CA-OD1 3.4Å; H284-D287 PolarHBondContact N-OD1 3.41Å; H284-D287 PolarHBondContact N-OD2 2.67Å; H284-R326 PolarHBondContact NE2-NH1 2.7Å; H284-R326 VanDerWaalsContact NE2-NH1 3.17Å
285	V	98.6	Very high	98.6	Very high	49 Å²	49	30.9 Å²	30.9	30%	0.297	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-51.8	175.4	175.6	0	0	0	0	111	I245 L282 D283 H291 Y319	I245-V285 HydrophobicContact CG2-CG1 4.26Å; L282-V285 HydrophobicContact CB-CB 3.83Å; L282-V285 HydrophobicContact CB-CG1 4.39Å; L282-V285 HydrophobicContact CB-CG2 4.3Å; L282-V285 HydrophobicContact CD1-CG1 4.36Å; L282-V285 PolarHBondContact O-N 3.3Å; L282-V285 VanDerWaalsContact O-N 3.09Å; D283-V285 PolarHBondContact O-N 2.96Å; D283-V285 VanDerWaalsContact O-N 3.1Å; V285-H291 PolarHBondContact O-CE1 3.19Å; V285-Y319 HydrophobicContact CG2-CD1 3.97Å; V285-Y319 HydrophobicContact CG2-CE1 4.14Å
286	N	98.6	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.1	14.7	-172.7	72	-11.4	0	0	0	113	H235 I241 Y279 V280 L282 F330	H235-N286 PolarHBondContact O-ND2 2.97Å; I241-N286 HydrophobicContact CG2-CB 4.3Å; Y279-N286 HydrophobicContact CE1-CB 4.28Å; Y279-N286 WeakPolarHBondContact CE1-O 3.47Å; Y279-N286 WeakPolarHBondContact OH-CB 3.4Å; Y279-N286 PolarHBondContact OH-O 3.34Å; V280-N286 PolarHBondContact O-ND2 2.92Å; V280-N286 PolarHBondContact O-OD1 2.97Å; L282-N286 WeakPolarHBondContact CB-OD1 3.23Å; L282-N286 PolarHBondContact N-OD1 3.37Å; L282-N286 PolarHBondContact O-N 2.89Å; L282-N286 PolarHBondContact O-OD1 3.37Å; N286-F330 WeakPolarHBondContact O-CE2 3.48Å
287	D	98.7	Very high	98.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	17%	0.171	C	C	.	.			trans	-119.1	9.9	-163.2	72.9	-23.8	0	0	0	114.4	M281 H284 S322 R326	M281-D287 HydrophobicContact CE-CB 3.76Å; H284-D287 WeakPolarHBondContact CA-OD1 3.4Å; H284-D287 PolarHBondContact N-OD1 3.41Å; H284-D287 PolarHBondContact N-OD2 2.67Å; D287-S322 WeakPolarHBondContact CB-OG 3.41Å; D287-S322 WeakPolarHBondContact OD2-CB 3.35Å; D287-S322 PolarHBondContact OD2-OG 3.5Å; D287-R326 IonicContact OD1-CZ 3.54Å; D287-R326 IonicContact OD1-NE 2.69Å; D287-R326 PolarHBondContact OD1-NE 2.73Å; D287-R326 IonicContact OD1-NH2 2.61Å; D287-R326 PolarHBondContact OD1-NH2 3.35Å; D287-R326 WeakPolarHBondContact OD2-CD 3.42Å; D287-R326 IonicContact OD2-CZ 3.21Å; D287-R326 IonicContact OD2-NE 3.76Å; D287-R326 PolarHBondContact OD2-NE 3.36Å; D287-R326 IonicContact OD2-NH2 3.13Å
288	G	98.3	Very high	98.6	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-77.8	162.8	173.1	0	0	0	0	0	113.4	E290 H291 A292 R326 F330	G288-E290 VanDerWaalsContact C-N 3.29Å; G288-E290 VanDerWaalsContact C-OE2 3.32Å; G288-E290 WeakPolarHBondContact CA-OE1 3.28Å; G288-E290 WeakPolarHBondContact CA-OE2 2.99Å; G288-E290 PolarHBondContact O-N 3.45Å; G288-H291 WeakPolarHBondContact O-CB 3.47Å; G288-H291 PolarHBondContact O-N 2.88Å; G288-A292 PolarHBondContact O-N 3.47Å; G288-R326 VanDerWaalsContact CA-NH2 3.3Å; G288-F330 VanDerWaalsContact O-CD2 3.27Å; G288-F330 WeakPolarHBondContact O-CD2 3.38Å; G288-F330 WeakPolarHBondContact O-CE2 3.36Å
289	T	98.4	Very high	98.6	Very high	63 Å²	63	35.4 Å²	35.4	39%	0.387	18%	0.177	S	C	.	.	H	α-helix	trans	-66.7	-32.3	-178.2	44.8	0	0	0	0	112.4	H291 A292 H293 R329 V333	T289-H291 VanDerWaalsContact C-N 3.3Å; T289-H291 PolarHBondContact O-N 2.97Å; T289-A292 WeakPolarHBondContact O-CB 3.33Å; T289-A292 PolarHBondContact O-N 3.49Å; T289-A292 VanDerWaalsContact O-N 3.16Å; T289-H293 PolarHBondContact O-CD2 3.1Å; T289-H293 PolarHBondContact O-N 3.22Å; T289-R329 HydrophobicContact CG2-CB 4.22Å; T289-V333 HydrophobicContact CG2-CG2 4.16Å
290	E	98.7	Very high	98.6	Very high	97 Å²	97	41.2 Å²	41.2	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-58	-41.6	171.9	68.4	-67.8	164.9	0	0	112	G288 H293 Q294	G288-E290 VanDerWaalsContact C-N 3.29Å; G288-E290 VanDerWaalsContact C-OE2 3.32Å; G288-E290 WeakPolarHBondContact CA-OE1 3.28Å; G288-E290 WeakPolarHBondContact CA-OE2 2.99Å; G288-E290 PolarHBondContact O-N 3.45Å; E290-H293 PolarHBondContact O-N 2.78Å; E290-Q294 WeakPolarHBondContact O-CG 3.41Å; E290-Q294 PolarHBondContact O-N 3.3Å
291	H	98.8	Very high	98.6	Very high	26 Å²	26	46.2 Å²	46.2	12%	0.12	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-36.1	175.2	-64.2	134.7	0	0	0	111.8	P237 I241 V285 G288 T289 Q294 L295 F330	P237-H291 WeakPolarHBondContact CB-O 3.47Å; P237-H291 HydrophobicContact CG-CB 3.89Å; I241-H291 WeakPolarHBondContact CD1-NE2 3.45Å; V285-H291 PolarHBondContact O-CE1 3.19Å; G288-H291 WeakPolarHBondContact O-CB 3.47Å; G288-H291 PolarHBondContact O-N 2.88Å; T289-H291 VanDerWaalsContact C-N 3.3Å; T289-H291 PolarHBondContact O-N 2.97Å; H291-Q294 PolarHBondContact O-N 3.09Å; H291-L295 VanDerWaalsContact O-CB 3.29Å; H291-L295 WeakPolarHBondContact O-CB 3.5Å; H291-L295 PolarHBondContact O-N 3.23Å; H291-F330 HydrophobicContact CB-CE2 3.94Å
292	A	98.8	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-39.8	174.7	0	0	0	0	0	112.3	G288 T289 L295 A296 F330 V333 L334	G288-A292 PolarHBondContact O-N 3.47Å; T289-A292 WeakPolarHBondContact O-CB 3.33Å; T289-A292 PolarHBondContact O-N 3.49Å; T289-A292 VanDerWaalsContact O-N 3.16Å; A292-L295 PolarHBondContact O-N 3.11Å; A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 2.79Å; A292-F330 HydrophobicContact CB-CD1 4.14Å; A292-F330 HydrophobicContact CB-CD2 3.69Å; A292-F330 HydrophobicContact CB-CE1 4.18Å; A292-F330 HydrophobicContact CB-CE2 3.73Å; A292-F330 HydrophobicContact CB-CG 3.9Å; A292-F330 HydrophobicContact CB-CZ 3.98Å; A292-V333 HydrophobicContact CB-CB 3.76Å; A292-V333 HydrophobicContact CB-CG1 3.6Å; A292-L334 HydrophobicContact CB-CD2 4.44Å; A292-L334 HydrophobicContact CB-CG 4.41Å
293	H	98.8	Very high	98.5	Very high	84 Å²	84	49.6 Å²	49.6	39%	0.389	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-44.8	174	-76.5	-71.9	0	0	0	112	T289 E290 L295 A296 E297 Y337	T289-H293 PolarHBondContact O-CD2 3.1Å; T289-H293 PolarHBondContact O-N 3.22Å; E290-H293 PolarHBondContact O-N 2.78Å; H293-L295 VanDerWaalsContact C-N 3.35Å; H293-L295 PolarHBondContact O-N 3.45Å; H293-A296 PolarHBondContact O-N 3Å; H293-E297 PolarHBondContact O-N 3.06Å; H293-E297 VanDerWaalsContact O-N 3.12Å; H293-Y337 AromaticContact CE1-CE2 3.92Å; H293-Y337 AromaticContact ND1-CE2 3.43Å; H293-Y337 WeakPolarHBondContact ND1-CE2 3.35Å; H293-Y337 AromaticContact ND1-CZ 3.58Å; H293-Y337 PolarHBondContact ND1-OH 3.38Å
294	Q	98.8	Very high	98.6	Very high	89 Å²	89	47.3 Å²	47.3	42%	0.416	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-43.4	174.9	-72.9	179.4	-14.4	0	0	111.8	P237 N238 E290 H291 A296 E297 L298	P237-Q294 HydrophobicContact CB-CB 3.75Å; P237-Q294 HydrophobicContact CG-CB 4.34Å; N238-Q294 PolarHBondContact ND2-OE1 2.8Å; E290-Q294 WeakPolarHBondContact O-CG 3.41Å; E290-Q294 PolarHBondContact O-N 3.3Å; H291-Q294 PolarHBondContact O-N 3.09Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.18Å; Q294-E297 PolarHBondContact O-N 3.17Å; Q294-L298 WeakPolarHBondContact O-CB 3.39Å; Q294-L298 PolarHBondContact O-N 3.49Å
295	L	98.8	Very high	98.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-40	178	-175.8	61.2	0	0	0	112	L234 P237 Y279 H291 A292 H293 L298 L299 F330 L334	L234-L295 HydrophobicContact CD2-CD1 3.69Å; P237-L295 HydrophobicContact CB-CB 4.01Å; Y279-L295 HydrophobicContact CD2-CD1 4.33Å; Y279-L295 HydrophobicContact CD2-CD2 3.65Å; Y279-L295 HydrophobicContact CE2-CD1 4.22Å; Y279-L295 HydrophobicContact CE2-CD2 3.72Å; Y279-L295 HydrophobicContact CG-CD2 4.33Å; H291-L295 VanDerWaalsContact O-CB 3.29Å; H291-L295 WeakPolarHBondContact O-CB 3.5Å; H291-L295 PolarHBondContact O-N 3.23Å; A292-L295 PolarHBondContact O-N 3.11Å; H293-L295 VanDerWaalsContact C-N 3.35Å; H293-L295 PolarHBondContact O-N 3.45Å; L295-L298 HydrophobicContact CD1-CD2 4.22Å; L295-L298 PolarHBondContact O-N 3.32Å; L295-L299 HydrophobicContact CD1-CD1 3.68Å; L295-L299 HydrophobicContact CD1-CG 4.03Å; L295-L299 HydrophobicContact CG-CD1 3.88Å; L295-L299 HydrophobicContact CG-CG 4.48Å; L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 3.11Å; L295-F330 HydrophobicContact CD2-CE1 4.05Å; L295-F330 HydrophobicContact CD2-CZ 4.06Å; L295-L334 HydrophobicContact CB-CD2 4.32Å; L295-L334 HydrophobicContact CD2-CD1 4.27Å; L295-L334 HydrophobicContact CD2-CD2 4.1Å; L295-L334 HydrophobicContact CG-CD2 4.28Å
296	A	98.8	Very high	98.6	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-43.2	177.4	0	0	0	0	0	111.9	A292 H293 Q294 L299 K300 L334 Y337 F339	A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 2.79Å; H293-A296 PolarHBondContact O-N 3Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.18Å; A296-L299 PolarHBondContact O-N 3.33Å; A296-K300 PolarHBondContact O-N 2.82Å; A296-L334 HydrophobicContact CB-CD2 4.31Å; A296-Y337 HydrophobicContact CB-CD1 3.78Å; A296-Y337 HydrophobicContact CB-CD2 3.64Å; A296-Y337 HydrophobicContact CB-CE1 4.08Å; A296-Y337 HydrophobicContact CB-CE2 3.96Å; A296-Y337 HydrophobicContact CB-CG 3.55Å; A296-F339 HydrophobicContact CB-CE2 3.95Å
297	E	98.7	Very high	98.6	Very high	105 Å²	105	45.2 Å²	45.2	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-43.9	175.3	-179.1	59.7	-159	0	0	111.6	H293 Q294 L299 K300	H293-E297 PolarHBondContact O-N 3.06Å; H293-E297 VanDerWaalsContact O-N 3.12Å; Q294-E297 PolarHBondContact O-N 3.17Å; E297-L299 VanDerWaalsContact C-N 3.29Å; E297-L299 PolarHBondContact O-N 2.81Å; E297-K300 WeakPolarHBondContact O-CB 3.14Å; E297-K300 WeakPolarHBondContact O-CD 3.45Å; E297-K300 WeakPolarHBondContact O-CG 3.01Å; E297-K300 PolarHBondContact O-N 3.37Å; E297-K300 WeakPolarHBondContact OE1-CD 3.41Å; E297-K300 WeakPolarHBondContact OE1-CE 3.43Å; E297-K300 IonicContact OE1-NZ 3.03Å; E297-K300 PolarHBondContact OE1-NZ 3.02Å
298	L	98.7	Very high	98.6	Very high	31 Å²	31	45.1 Å²	45.1	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-41.2	177.4	173.9	66.3	0	0	0	112.3	L234 I254 L258 Q294 L295	L234-L298 HydrophobicContact CD2-CD2 4.26Å; I254-L298 HydrophobicContact CD1-CD2 4.27Å; I254-L298 HydrophobicContact CG2-CD1 3.6Å; I254-L298 HydrophobicContact CG2-CD2 3.69Å; I254-L298 HydrophobicContact CG2-CG 4.12Å; L258-L298 HydrophobicContact CD1-CD1 4Å; L258-L298 HydrophobicContact CD1-CG 4.1Å; Q294-L298 WeakPolarHBondContact O-CB 3.39Å; Q294-L298 PolarHBondContact O-N 3.49Å; L295-L298 HydrophobicContact CD1-CD2 4.22Å; L295-L298 PolarHBondContact O-N 3.32Å
299	L	98.7	Very high	98.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.1	-173.8	-65.2	177	0	0	0	114.1	L234 L258 I277 L295 A296 E297 D301 T302 I306 F339	L234-L299 HydrophobicContact CD2-CD2 4.13Å; L258-L299 HydrophobicContact CD1-CD2 4.24Å; L258-L299 HydrophobicContact CD2-CD2 4.27Å; I277-L299 HydrophobicContact CD1-CD2 4.01Å; I277-L299 HydrophobicContact CG1-CD1 3.99Å; I277-L299 HydrophobicContact CG1-CD2 4.34Å; I277-L299 HydrophobicContact CG2-CD1 4.41Å; L295-L299 HydrophobicContact CD1-CD1 3.68Å; L295-L299 HydrophobicContact CD1-CG 4.03Å; L295-L299 HydrophobicContact CG-CD1 3.88Å; L295-L299 HydrophobicContact CG-CG 4.48Å; L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 3.11Å; A296-L299 PolarHBondContact O-N 3.33Å; E297-L299 VanDerWaalsContact C-N 3.29Å; E297-L299 PolarHBondContact O-N 2.81Å; L299-D301 PolarHBondContact O-N 3.19Å; L299-D301 VanDerWaalsContact O-N 3.1Å; L299-T302 PolarHBondContact O-N 2.72Å; L299-I306 HydrophobicContact CD1-CD1 3.93Å; L299-I306 HydrophobicContact CD1-CG1 4.29Å; L299-F339 HydrophobicContact CB-CE1 3.95Å; L299-F339 HydrophobicContact CB-CZ 3.77Å
300	K	98.1	Very high	98.5	Very high	122 Å²	122	42.9 Å²	42.9	53%	0.53	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34	-175.3	73.4	-172.6	176.3	178	0	113.8	A296 E297	A296-K300 PolarHBondContact O-N 2.82Å; E297-K300 WeakPolarHBondContact O-CB 3.14Å; E297-K300 WeakPolarHBondContact O-CD 3.45Å; E297-K300 WeakPolarHBondContact O-CG 3.01Å; E297-K300 PolarHBondContact O-N 3.37Å; E297-K300 WeakPolarHBondContact OE1-CD 3.41Å; E297-K300 WeakPolarHBondContact OE1-CE 3.43Å; E297-K300 IonicContact OE1-NZ 3.03Å; E297-K300 PolarHBondContact OE1-NZ 3.02Å
301	D	97.9	Very high	98.5	Very high	111 Å²	111	38.8 Å²	38.8	59%	0.594	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	8.6	-178.4	-61.3	-46.8	0	0	0	113	L299	L299-D301 PolarHBondContact O-N 3.19Å; L299-D301 VanDerWaalsContact O-N 3.1Å
302	T	98.4	Very high	98.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	19%	0.186	C	C	.	.	S	Bend	trans	-121.2	100.4	-179	-56.2	0	0	0	0	110.3	L258 R262 V275 L299 C304	L258-T302 HydrophobicContact CD2-CG2 4.39Å; R262-T302 PolarHBondContact NH1-OG1 3.46Å; R262-T302 VanDerWaalsContact NH1-OG1 3.08Å; V275-T302 HydrophobicContact CG1-CG2 4.02Å; L299-T302 PolarHBondContact O-N 2.72Å; T302-C304 PolarHBondContact O-N 3.16Å; T302-C304 PolarHBondContact O-SG 3.05Å
303	P	98.2	Very high	97.9	Very high	70 Å²	70	41 Å²	41	46%	0.455	21%	0.207	S	C	.	.			trans	-57.6	115.6	177.7	-26.8	36.1	0	0	0	111.6	G273 R274 V275	G273-P303 VanDerWaalsContact O-CB 3.25Å; G273-P303 WeakPolarHBondContact O-CB 3.47Å; R274-P303 WeakPolarHBondContact CA-O 3.4Å; R274-P303 HydrophobicContact CG-CB 4.4Å; V275-P303 PolarHBondContact N-O 2.95Å; V275-P303 VanDerWaalsContact N-O 3.13Å
304	C	98.8	Very high	97.6	Very high	6 Å²	6	37.7 Å²	37.7	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	174	-172.2	72.3	0	0	0	0	114.8	V275 I277 T302	V275-C304 HydrophobicContact CG1-CB 3.7Å; V275-C304 CarbonylContact O-C 3.56Å; V275-C304 WeakPolarHBondContact O-CA 3.42Å; V275-C304 VanDerWaalsContact O-CB 3.3Å; V275-C304 WeakPolarHBondContact O-CB 3.35Å; I277-C304 HydrophobicContact CD1-CB 4.14Å; I277-C304 HydrophobicContact CG1-CB 3.72Å; T302-C304 PolarHBondContact O-N 3.16Å; T302-C304 PolarHBondContact O-SG 3.05Å
305	K	98.7	Very high	97.2	Very high	96 Å²	96	38.5 Å²	38.5	42%	0.417	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.9	161	-57.1	177.8	-174.9	172.7	0	107.4	V275 T276 I277 T340	V275-K305 PolarHBondContact O-N 3.35Å; T276-K305 WeakPolarHBondContact CA-O 3.44Å; I277-K305 PolarHBondContact N-O 3.19Å; K305-T340 HydrophobicContact CG-CG2 4.41Å
306	I	98.8	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.8	-174.4	-56.3	173.9	0	0	0	109.4	I277 L299 L308 L334 F339 T340 T341 I342	I277-I306 HydrophobicContact CB-CG1 4.29Å; I277-I306 HydrophobicContact CG1-CG1 4.41Å; L299-I306 HydrophobicContact CD1-CD1 3.93Å; L299-I306 HydrophobicContact CD1-CG1 4.29Å; I306-L308 HydrophobicContact CG2-CD2 3.72Å; I306-L308 HydrophobicContact CG2-CG 4.42Å; I306-L334 HydrophobicContact CB-CD1 4.49Å; I306-L334 HydrophobicContact CD1-CB 4.44Å; I306-L334 HydrophobicContact CD1-CD1 3.81Å; I306-L334 HydrophobicContact CD1-CD2 4.01Å; I306-L334 HydrophobicContact CD1-CG 4.32Å; I306-L334 HydrophobicContact CG2-CD1 3.93Å; I306-F339 HydrophobicContact CD1-CB 3.86Å; I306-F339 HydrophobicContact CD1-CD1 3.96Å; I306-F339 HydrophobicContact CD1-CD2 4.28Å; I306-F339 HydrophobicContact CD1-CG 3.77Å; I306-F339 HydrophobicContact CG1-CB 4.49Å; I306-F339 HydrophobicContact CG1-CD1 4.47Å; I306-T340 PolarHBondContact N-O 3.23Å; I306-T341 HydrophobicContact CB-CG2 4.38Å; I306-T341 HydrophobicContact CG2-CG2 4.42Å; I306-T341 CarbonylContact O-C 3.54Å; I306-T341 WeakPolarHBondContact O-CA 3.48Å; I306-I342 PolarHBondContact O-N 2.83Å
307	N	98.6	Very high	96.3	Very high	39 Å²	39	43 Å²	43	21%	0.209	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	104.6	172.6	-78.2	-2.1	0	0	0	109.1	T276 I277 Y279 I342	T276-N307 HydrophobicContact CG2-CB 4.19Å; T276-N307 VanDerWaalsContact CG2-ND2 3.31Å; T276-N307 WeakPolarHBondContact CG2-ND2 3.26Å; I277-N307 PolarHBondContact O-N 2.88Å; Y279-N307 PolarHBondContact N-O 3.12Å; N307-I342 CarbonylContact C-O 3.6Å; N307-I342 WeakPolarHBondContact CA-O 3.38Å
308	L	98.7	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.1	171.8	-54.8	-176.1	0	0	0	109	Y279 M281 I306 I327 F330 L334 T341 I342 V343 R344	Y279-L308 HydrophobicContact CD1-CD2 4.4Å; Y279-L308 HydrophobicContact CG-CD2 4.45Å; Y279-L308 CarbonylContact O-C 3.56Å; Y279-L308 WeakPolarHBondContact O-CA 3.36Å; M281-L308 HydrophobicContact CG-CB 4.19Å; M281-L308 HydrophobicContact SD-CB 4.18Å; M281-L308 HydrophobicContact SD-CD1 4.41Å; M281-L308 HydrophobicContact SD-CD2 3.92Å; M281-L308 HydrophobicContact SD-CG 4.39Å; I306-L308 HydrophobicContact CG2-CD2 3.72Å; I306-L308 HydrophobicContact CG2-CG 4.42Å; L308-I327 HydrophobicContact CD1-CG2 4.44Å; L308-F330 HydrophobicContact CD1-CD1 3.87Å; L308-F330 HydrophobicContact CD2-CD1 3.92Å; L308-F330 HydrophobicContact CD2-CE1 3.82Å; L308-L334 HydrophobicContact CD2-CD1 4.09Å; L308-T341 HydrophobicContact CD1-CG2 3.79Å; L308-T341 HydrophobicContact CD2-CG2 4.48Å; L308-T341 HydrophobicContact CG-CG2 3.83Å; L308-I342 PolarHBondContact N-O 2.75Å; L308-V343 HydrophobicContact CB-CG2 4.4Å; L308-V343 HydrophobicContact CD1-CG2 4.41Å; L308-V343 CarbonylContact O-C 3.56Å; L308-V343 WeakPolarHBondContact O-CA 3.38Å; L308-R344 PolarHBondContact O-N 3.16Å
309	I	98.2	Very high	95.8	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.077	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	106	-176.8	-56.1	173	0	0	0	107.4	E278 Y279 V280 M281 W311 R344	E278-I309 HydrophobicContact CB-CD1 3.92Å; E278-I309 HydrophobicContact CG-CD1 4.25Å; Y279-I309 PolarHBondContact O-N 3.47Å; V280-I309 CarbonylContact C-O 3.51Å; V280-I309 WeakPolarHBondContact CA-O 3.32Å; M281-I309 PolarHBondContact N-O 3.29Å; I309-W311 PolarHBondContact O-N 2.64Å; I309-W311 VanDerWaalsContact O-N 3.15Å; I309-R344 HydrophobicContact CG1-CB 4.32Å
310	P	97.5	Very high	95.7	Very high	5 Å²	5	45 Å²	45	3%	0.032	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	123.2	168.1	-19.3	30.5	0	0	0	108.8	R321 I327 V343 R344	P310-R321 HydrophobicContact CB-CG 4.45Å; P310-I327 HydrophobicContact CB-CD1 4Å; P310-I327 HydrophobicContact CG-CD1 4.08Å; P310-V343 HydrophobicContact CG-CG1 3.82Å; P310-R344 WeakPolarHBondContact CD-O 3.49Å
311	W	97.1	Very high	95.7	Very high	11 Å²	11	44 Å²	44	4%	0.042	27%	0.266	C	S	.	.			trans	-63.9	139.4	-176.4	179.2	74	0	0	0	111.2	F131 V280 M281 L282 I309 P313 F314 A317 Y319 R321	F131-W311 PolarHBondContact O-NE1 3.21Å; V280-W311 HydrophobicContact CG2-CB 3.73Å; V280-W311 HydrophobicContact CG2-CG 4.09Å; M281-W311 WeakPolarHBondContact O-CB 3.31Å; L282-W311 HydrophobicContact CD2-CB 3.82Å; L282-W311 HydrophobicContact CD2-CD2 4.13Å; L282-W311 HydrophobicContact CD2-CG 3.53Å; I309-W311 PolarHBondContact O-N 2.64Å; I309-W311 VanDerWaalsContact O-N 3.15Å; W311-P313 VanDerWaalsContact CH2-CA 3.44Å; W311-P313 HydrophobicContact CH2-CB 3.89Å; W311-P313 HydrophobicContact CZ3-CB 3.74Å; W311-F314 AromaticContact CZ2-CD1 3.98Å; W311-F314 HydrophobicContact CZ2-CD1 3.98Å; W311-F314 AromaticContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CZ 4.35Å; W311-A317 HydrophobicContact CH2-CB 3.43Å; W311-A317 VanDerWaalsContact CH2-CB 3.43Å; W311-A317 HydrophobicContact CZ2-CB 3.43Å; W311-A317 VanDerWaalsContact CZ2-CB 3.43Å; W311-Y319 WeakPolarHBondContact CH2-O 3.29Å; W311-Y319 WeakPolarHBondContact CZ3-O 3.49Å; W311-R321 HydrophobicContact CE3-CB 4.3Å; W311-R321 WeakPolarHBondContact O-CB 3.24Å; W311-R321 WeakPolarHBondContact O-CD 3.36Å; W311-R321 WeakPolarHBondContact O-CG 3.07Å
312	N	93.8	Very high	95.7	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	24%	0.238	C	C	.	.			trans	-105.9	127.5	179.3	-50.3	-63.1	0	0	0	108.8	T346 A354 C355 Q357	N312-T346 WeakPolarHBondContact OD1-CG2 3.48Å; N312-A354 HydrophobicContact CB-CB 3.96Å; N312-A354 VanDerWaalsContact CG-CB 3.42Å; N312-A354 WeakPolarHBondContact ND2-CB 3.17Å; N312-C355 PolarHBondContact ND2-O 3.18Å; N312-Q357 HydrophobicContact CB-CG 3.97Å
313	P	92.5	Very high	95.7	Very high	67 Å²	67	41.3 Å²	41.3	44%	0.435	26%	0.256	S	S	.	.			trans	-71.3	153.3	-173.8	30.4	-35	0	0	0	112.6	W311 Q357	W311-P313 VanDerWaalsContact CH2-CA 3.44Å; W311-P313 HydrophobicContact CH2-CB 3.89Å; W311-P313 HydrophobicContact CZ3-CB 3.74Å; P313-Q357 WeakPolarHBondContact O-CG 3.35Å; P313-Q357 PolarHBondContact O-NE2 3.19Å
314	F	92.3	Very high	95.6	Very high	15 Å²	15	43.5 Å²	43.5	7%	0.066	26%	0.263	C	S	.	.			trans	-141.9	159.9	167.9	58.8	-93.3	0	0	0	109.4	F131 Q136 W311 G316 A317	F131-F314 VanDerWaalsContact C-CE1 3.45Å; F131-F314 VanDerWaalsContact O-CE1 3.28Å; F131-F314 WeakPolarHBondContact O-CE1 3.42Å; Q136-F314 HydrophobicContact CG-CE2 3.99Å; W311-F314 AromaticContact CZ2-CD1 3.98Å; W311-F314 HydrophobicContact CZ2-CD1 3.98Å; W311-F314 AromaticContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CZ 4.35Å; F314-G316 PolarHBondContact O-N 2.81Å; F314-A317 HydrophobicContact CD1-CB 4.3Å; F314-A317 HydrophobicContact CD2-CB 3.92Å; F314-A317 HydrophobicContact CE1-CB 3.93Å; F314-A317 HydrophobicContact CE2-CB 3.45Å; F314-A317 VanDerWaalsContact CE2-CB 3.45Å; F314-A317 HydrophobicContact CG-CB 4.3Å; F314-A317 HydrophobicContact CZ-CB 3.5Å; F314-A317 WeakPolarHBondContact O-CB 3.44Å; F314-A317 PolarHBondContact O-N 3.15Å
315	P	89.5	Confident	95.6	Very high	107 Å²	107	46 Å²	46	70%	0.695	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.3	-176.3	-27.4	36.2	0	0	0	113.4	Q136 A317	Q136-P315 PolarHBondContact OE1-O 2.76Å; P315-A317 VanDerWaalsContact C-N 3.3Å; P315-A317 PolarHBondContact O-N 3.31Å
316	G	87.8	Confident	95.6	Very high	72 Å²	72	43.3 Å²	43.3	74%	0.742	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	8	176.7	0	0	0	0	0	115.7	F314	F314-G316 PolarHBondContact O-N 2.81Å
317	A	91.1	Very high	95.6	Very high	25 Å²	25	43.5 Å²	43.5	21%	0.207	27%	0.269	C	S	.	.			trans	-65.8	138.5	174.2	0	0	0	0	0	112.5	W311 F314 P315 Y319	W311-A317 HydrophobicContact CH2-CB 3.43Å; W311-A317 VanDerWaalsContact CH2-CB 3.43Å; W311-A317 HydrophobicContact CZ2-CB 3.43Å; W311-A317 VanDerWaalsContact CZ2-CB 3.43Å; F314-A317 HydrophobicContact CD1-CB 4.3Å; F314-A317 HydrophobicContact CD2-CB 3.92Å; F314-A317 HydrophobicContact CE1-CB 3.93Å; F314-A317 HydrophobicContact CE2-CB 3.45Å; F314-A317 VanDerWaalsContact CE2-CB 3.45Å; F314-A317 HydrophobicContact CG-CB 4.3Å; F314-A317 HydrophobicContact CZ-CB 3.5Å; F314-A317 WeakPolarHBondContact O-CB 3.44Å; F314-A317 PolarHBondContact O-N 3.15Å; P315-A317 VanDerWaalsContact C-N 3.3Å; P315-A317 PolarHBondContact O-N 3.31Å; A317-Y319 VanDerWaalsContact C-N 3.27Å; A317-Y319 PolarHBondContact O-N 2.82Å
318	P	92.2	Very high	95.6	Very high	100 Å²	100	45.1 Å²	45.1	65%	0.649	28%	0.278	S	S	*	.	S	Bend	trans	-86.3	8.6	178.1	36.4	-37	0	0	0	113.7
319	Y	96.1	Very high	95.6	Very high	46 Å²	46	50.4 Å²	50.4	18%	0.18	30%	0.298	C	S	.	.			trans	-116.2	157.7	-173.1	-57	-60.3	0	0	0	112.3	K130 F131 L282 V285 W311 A317	K130-Y319 HydrophobicContact CB-CE2 3.75Å; K130-Y319 WeakPolarHBondContact CB-OH 3.41Å; F131-Y319 HydrophobicContact CB-CD2 3.93Å; F131-Y319 HydrophobicContact CB-CE2 4.06Å; L282-Y319 HydrophobicContact CD1-CD1 4.43Å; L282-Y319 HydrophobicContact CD1-CD2 4.47Å; L282-Y319 HydrophobicContact CD1-CG 4.41Å; L282-Y319 HydrophobicContact CD2-CD2 4.3Å; L282-Y319 HydrophobicContact CD2-CG 4.11Å; V285-Y319 HydrophobicContact CG2-CD1 3.97Å; V285-Y319 HydrophobicContact CG2-CE1 4.14Å; W311-Y319 WeakPolarHBondContact CH2-O 3.29Å; W311-Y319 WeakPolarHBondContact CZ3-O 3.49Å; A317-Y319 VanDerWaalsContact C-N 3.27Å; A317-Y319 PolarHBondContact O-N 2.82Å
320	G	95.8	Very high	95.6	Very high	32 Å²	32	49.7 Å²	49.7	33%	0.33	29%	0.294	S	S	.	.			trans	-109.6	157.3	168.3	0	0	0	0	0	111.7	D283	D283-G320 WeakPolarHBondContact CB-O 3.41Å; D283-G320 PolarHBondContact N-O 3.42Å
321	R	97.2	Very high	95.7	Very high	102 Å²	102	50 Å²	50	39%	0.385	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-75.3	125.6	169.2	176.6	179.4	172.4	164.5	3.9	109.2	P310 W311 S323	P310-R321 HydrophobicContact CB-CG 4.45Å; W311-R321 HydrophobicContact CE3-CB 4.3Å; W311-R321 WeakPolarHBondContact O-CB 3.24Å; W311-R321 WeakPolarHBondContact O-CD 3.36Å; W311-R321 WeakPolarHBondContact O-CG 3.07Å; R321-S323 PolarHBondContact O-N 2.99Å
322	S	98.2	Very high	95.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-52.7	135.9	172.8	-60.7	0	0	0	0	111.8	M281 L282 D283 D287 I327	M281-S322 PolarHBondContact O-N 2.78Å; M281-S322 PolarHBondContact O-OG 3.24Å; L282-S322 PolarHBondContact N-OG 2.83Å; D283-S322 PolarHBondContact N-OG 2.8Å; D287-S322 WeakPolarHBondContact CB-OG 3.41Å; D287-S322 WeakPolarHBondContact OD2-CB 3.35Å; D287-S322 PolarHBondContact OD2-OG 3.5Å; S322-I327 WeakPolarHBondContact O-CD1 3.48Å
323	S	98.1	Very high	96	Very high	54 Å²	54	56.1 Å²	56.1	38%	0.378	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-60	148.6	174.4	72.1	0	0	0	0	111.8	R321 S325 R326 I327	R321-S323 PolarHBondContact O-N 2.99Å; S323-S325 PolarHBondContact O-N 3.44Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 PolarHBondContact OG-OG 2.85Å; S323-R326 PolarHBondContact O-N 3.04Å; S323-R326 WeakPolarHBondContact OG-CG 3.19Å; S323-R326 PolarHBondContact OG-N 3.34Å; S323-I327 PolarHBondContact O-N 3.46Å; S323-I327 VanDerWaalsContact O-N 3.07Å
324	N	97.6	Very high	96.3	Very high	116 Å²	116	53 Å²	53	62%	0.62	30%	0.304	S	S	*	.	H	α-helix	trans	-55.2	-32.1	178.5	-70.1	-14.8	0	0	0	112.6	I327 D328	N324-I327 PolarHBondContact O-N 2.9Å; N324-D328 WeakPolarHBondContact O-CB 3.43Å; N324-D328 PolarHBondContact O-N 2.85Å
325	S	98.3	Very high	96.6	Very high	58 Å²	58	57.4 Å²	57.4	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-36.6	176.3	82	0	0	0	0	113.1	S323 R329	S323-S325 PolarHBondContact O-N 3.44Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 PolarHBondContact OG-OG 2.85Å; S325-R329 WeakPolarHBondContact O-CG 3.27Å; S325-R329 PolarHBondContact O-N 3.04Å; S325-R329 VanDerWaalsContact O-N 3.13Å; S325-R329 PolarHBondContact O-NH1 3.39Å; S325-R329 PolarHBondContact OG-NH1 3.49Å; S325-R329 VanDerWaalsContact OG-NH1 3.15Å
326	R	98.5	Very high	97	Very high	40 Å²	40	56.8 Å²	56.8	15%	0.151	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-45.4	175.5	-70.8	179.3	70.5	80.5	8	110.1	H284 D287 G288 S323 D328 R329 F330	H284-R326 PolarHBondContact NE2-NH1 2.7Å; H284-R326 VanDerWaalsContact NE2-NH1 3.17Å; D287-R326 IonicContact OD1-CZ 3.54Å; D287-R326 IonicContact OD1-NE 2.69Å; D287-R326 PolarHBondContact OD1-NE 2.73Å; D287-R326 IonicContact OD1-NH2 2.61Å; D287-R326 PolarHBondContact OD1-NH2 3.35Å; D287-R326 WeakPolarHBondContact OD2-CD 3.42Å; D287-R326 IonicContact OD2-CZ 3.21Å; D287-R326 IonicContact OD2-NE 3.76Å; D287-R326 PolarHBondContact OD2-NE 3.36Å; D287-R326 IonicContact OD2-NH2 3.13Å; G288-R326 VanDerWaalsContact CA-NH2 3.3Å; S323-R326 PolarHBondContact O-N 3.04Å; S323-R326 WeakPolarHBondContact OG-CG 3.19Å; S323-R326 PolarHBondContact OG-N 3.34Å; R326-D328 PolarHBondContact O-N 3.06Å; R326-R329 PolarHBondContact O-N 2.8Å; R326-F330 WeakPolarHBondContact O-CB 3.35Å; R326-F330 PolarHBondContact O-N 2.83Å
327	I	98.6	Very high	97.5	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-46.3	177	-61.5	172.4	0	0	0	111.2	M281 L308 P310 S322 S323 N324 F330 S331 V343	M281-I327 HydrophobicContact CB-CD1 4.26Å; M281-I327 HydrophobicContact CB-CG1 4.07Å; M281-I327 HydrophobicContact CE-CG1 4.25Å; M281-I327 HydrophobicContact CG-CD1 4.46Å; M281-I327 HydrophobicContact CG-CG1 4.1Å; L308-I327 HydrophobicContact CD1-CG2 4.44Å; P310-I327 HydrophobicContact CB-CD1 4Å; P310-I327 HydrophobicContact CG-CD1 4.08Å; S322-I327 WeakPolarHBondContact O-CD1 3.48Å; S323-I327 PolarHBondContact O-N 3.46Å; S323-I327 VanDerWaalsContact O-N 3.07Å; N324-I327 PolarHBondContact O-N 2.9Å; I327-F330 PolarHBondContact O-N 2.56Å; I327-S331 WeakPolarHBondContact O-CB 3.46Å; I327-S331 PolarHBondContact O-N 2.79Å; I327-V343 HydrophobicContact CG2-CG1 3.96Å; I327-V343 HydrophobicContact CG2-CG2 3.69Å
328	D	98.5	Very high	97.9	Very high	73 Å²	73	60.7 Å²	60.7	39%	0.39	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-46	177.4	174.8	70.1	0	0	0	111.9	N324 R326 S331 K332	N324-D328 WeakPolarHBondContact O-CB 3.43Å; N324-D328 PolarHBondContact O-N 2.85Å; R326-D328 PolarHBondContact O-N 3.06Å; D328-S331 PolarHBondContact O-N 3.15Å; D328-K332 WeakPolarHBondContact O-CB 3.37Å; D328-K332 WeakPolarHBondContact O-CG 3.43Å; D328-K332 PolarHBondContact O-N 3.49Å; D328-K332 VanDerWaalsContact OD1-CE 3.31Å; D328-K332 WeakPolarHBondContact OD1-CE 3.5Å; D328-K332 IonicContact OD1-NZ 2.74Å; D328-K332 PolarHBondContact OD1-NZ 2.79Å; D328-K332 VanDerWaalsContact OD2-CE 3.31Å; D328-K332 WeakPolarHBondContact OD2-CE 3.07Å; D328-K332 IonicContact OD2-NZ 3.42Å; D328-K332 PolarHBondContact OD2-NZ 3.28Å
329	R	98.6	Very high	98.2	Very high	110 Å²	110	57.6 Å²	57.6	42%	0.415	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-44.8	175.9	-73	-170.4	-57.9	-88	4.2	112.2	T289 S325 R326 S331 K332 V333	T289-R329 HydrophobicContact CG2-CB 4.22Å; S325-R329 WeakPolarHBondContact O-CG 3.27Å; S325-R329 PolarHBondContact O-N 3.04Å; S325-R329 VanDerWaalsContact O-N 3.13Å; S325-R329 PolarHBondContact O-NH1 3.39Å; S325-R329 PolarHBondContact OG-NH1 3.49Å; S325-R329 VanDerWaalsContact OG-NH1 3.15Å; R326-R329 PolarHBondContact O-N 2.8Å; R329-S331 VanDerWaalsContact C-N 3.34Å; R329-S331 PolarHBondContact O-N 2.86Å; R329-K332 PolarHBondContact O-N 2.8Å; R329-V333 WeakPolarHBondContact O-CG2 3.23Å; R329-V333 PolarHBondContact O-N 3.43Å
330	F	98.8	Very high	98.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.7	-46.6	176.7	-166.2	-81.7	0	0	0	111.1	Y279 M281 N286 G288 H291 A292 L295 L308 R326 I327 K332 V333 L334	Y279-F330 HydrophobicContact CD1-CE1 4.4Å; Y279-F330 HydrophobicContact CD1-CZ 4.3Å; Y279-F330 HydrophobicContact CE1-CE1 4.26Å; Y279-F330 HydrophobicContact CE1-CE2 4.35Å; Y279-F330 AromaticContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE2-CZ 4.47Å; Y279-F330 AromaticContact CZ-CZ 3.81Å; M281-F330 HydrophobicContact CE-CB 3.77Å; M281-F330 HydrophobicContact CE-CD1 3.83Å; M281-F330 HydrophobicContact CE-CD2 3.87Å; M281-F330 HydrophobicContact CE-CE1 4.35Å; M281-F330 HydrophobicContact CE-CE2 4.4Å; M281-F330 HydrophobicContact CE-CG 3.56Å; M281-F330 HydrophobicContact SD-CD1 4.31Å; M281-F330 HydrophobicContact SD-CE1 4.41Å; N286-F330 WeakPolarHBondContact O-CE2 3.48Å; G288-F330 VanDerWaalsContact O-CD2 3.27Å; G288-F330 WeakPolarHBondContact O-CD2 3.38Å; G288-F330 WeakPolarHBondContact O-CE2 3.36Å; H291-F330 HydrophobicContact CB-CE2 3.94Å; A292-F330 HydrophobicContact CB-CD1 4.14Å; A292-F330 HydrophobicContact CB-CD2 3.69Å; A292-F330 HydrophobicContact CB-CE1 4.18Å; A292-F330 HydrophobicContact CB-CE2 3.73Å; A292-F330 HydrophobicContact CB-CG 3.9Å; A292-F330 HydrophobicContact CB-CZ 3.98Å; L295-F330 HydrophobicContact CD2-CE1 4.05Å; L295-F330 HydrophobicContact CD2-CZ 4.06Å; L308-F330 HydrophobicContact CD1-CD1 3.87Å; L308-F330 HydrophobicContact CD2-CD1 3.92Å; L308-F330 HydrophobicContact CD2-CE1 3.82Å; R326-F330 WeakPolarHBondContact O-CB 3.35Å; R326-F330 PolarHBondContact O-N 2.83Å; I327-F330 PolarHBondContact O-N 2.56Å; F330-K332 PolarHBondContact O-N 3.06Å; F330-V333 PolarHBondContact O-N 3.31Å; F330-L334 HydrophobicContact CD1-CD1 3.8Å; F330-L334 HydrophobicContact CD1-CG 4.31Å; F330-L334 HydrophobicContact CE1-CD1 3.61Å; F330-L334 HydrophobicContact CE1-CG 4.23Å; F330-L334 PolarHBondContact O-N 2.91Å; F330-L334 VanDerWaalsContact O-N 3.14Å
331	S	98.7	Very high	98.4	Very high	12 Å²	12	57.6 Å²	57.6	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-45.5	176.5	-172.1	0	0	0	0	112.2	I327 D328 R329 V333 L334 M335 T341	I327-S331 WeakPolarHBondContact O-CB 3.46Å; I327-S331 PolarHBondContact O-N 2.79Å; D328-S331 PolarHBondContact O-N 3.15Å; R329-S331 VanDerWaalsContact C-N 3.34Å; R329-S331 PolarHBondContact O-N 2.86Å; S331-V333 VanDerWaalsContact C-N 3.33Å; S331-V333 PolarHBondContact O-N 3.22Å; S331-L334 PolarHBondContact O-N 3.39Å; S331-M335 VanDerWaalsContact O-CG 3.27Å; S331-M335 WeakPolarHBondContact O-CG 3.37Å; S331-M335 PolarHBondContact O-N 2.88Å; S331-T341 WeakPolarHBondContact OG-CG2 3.35Å
332	K	98.7	Very high	98.5	Very high	123 Å²	123	57 Å²	57	54%	0.535	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-38.4	179	-78.4	171.5	177.5	163.6	0	112.7	D328 R329 F330 M335 S336	D328-K332 WeakPolarHBondContact O-CB 3.37Å; D328-K332 WeakPolarHBondContact O-CG 3.43Å; D328-K332 PolarHBondContact O-N 3.49Å; D328-K332 VanDerWaalsContact OD1-CE 3.31Å; D328-K332 WeakPolarHBondContact OD1-CE 3.5Å; D328-K332 IonicContact OD1-NZ 2.74Å; D328-K332 PolarHBondContact OD1-NZ 2.79Å; D328-K332 VanDerWaalsContact OD2-CE 3.31Å; D328-K332 WeakPolarHBondContact OD2-CE 3.07Å; D328-K332 IonicContact OD2-NZ 3.42Å; D328-K332 PolarHBondContact OD2-NZ 3.28Å; R329-K332 PolarHBondContact O-N 2.8Å; F330-K332 PolarHBondContact O-N 3.06Å; K332-M335 PolarHBondContact O-N 3.37Å; K332-S336 PolarHBondContact O-N 3.36Å
333	V	98.8	Very high	98.5	Very high	21 Å²	21	60 Å²	60	13%	0.127	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-51.3	173	173.8	0	0	0	0	110	T289 A292 R329 F330 S331 M335 S336 Y337	T289-V333 HydrophobicContact CG2-CG2 4.16Å; A292-V333 HydrophobicContact CB-CB 3.76Å; A292-V333 HydrophobicContact CB-CG1 3.6Å; R329-V333 WeakPolarHBondContact O-CG2 3.23Å; R329-V333 PolarHBondContact O-N 3.43Å; F330-V333 PolarHBondContact O-N 3.31Å; S331-V333 VanDerWaalsContact C-N 3.33Å; S331-V333 PolarHBondContact O-N 3.22Å; V333-M335 VanDerWaalsContact C-N 3.29Å; V333-M335 PolarHBondContact O-N 3.24Å; V333-S336 PolarHBondContact O-N 3.23Å; V333-S336 PolarHBondContact O-OG 3.14Å; V333-Y337 HydrophobicContact CG1-CD2 4.5Å; V333-Y337 HydrophobicContact CG1-CE2 4.2Å; V333-Y337 WeakPolarHBondContact O-CD2 3.18Å; V333-Y337 PolarHBondContact O-N 3.44Å
334	L	98.8	Very high	98.3	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-39.3	178.7	-66.3	175	0	0	0	113	A292 L295 A296 I306 L308 F330 S331 S336 Y337 F339 T341	A292-L334 HydrophobicContact CB-CD2 4.44Å; A292-L334 HydrophobicContact CB-CG 4.41Å; L295-L334 HydrophobicContact CB-CD2 4.32Å; L295-L334 HydrophobicContact CD2-CD1 4.27Å; L295-L334 HydrophobicContact CD2-CD2 4.1Å; L295-L334 HydrophobicContact CG-CD2 4.28Å; A296-L334 HydrophobicContact CB-CD2 4.31Å; I306-L334 HydrophobicContact CB-CD1 4.49Å; I306-L334 HydrophobicContact CD1-CB 4.44Å; I306-L334 HydrophobicContact CD1-CD1 3.81Å; I306-L334 HydrophobicContact CD1-CD2 4.01Å; I306-L334 HydrophobicContact CD1-CG 4.32Å; I306-L334 HydrophobicContact CG2-CD1 3.93Å; L308-L334 HydrophobicContact CD2-CD1 4.09Å; F330-L334 HydrophobicContact CD1-CD1 3.8Å; F330-L334 HydrophobicContact CD1-CG 4.31Å; F330-L334 HydrophobicContact CE1-CD1 3.61Å; F330-L334 HydrophobicContact CE1-CG 4.23Å; F330-L334 PolarHBondContact O-N 2.91Å; F330-L334 VanDerWaalsContact O-N 3.14Å; S331-L334 PolarHBondContact O-N 3.39Å; L334-S336 VanDerWaalsContact C-N 3.3Å; L334-S336 PolarHBondContact O-N 3.04Å; L334-Y337 PolarHBondContact O-N 3.46Å; L334-F339 PolarHBondContact O-N 3Å; L334-T341 HydrophobicContact CB-CG2 4.42Å; L334-T341 WeakPolarHBondContact CB-OG1 3.46Å; L334-T341 HydrophobicContact CD1-CG2 4Å
335	M	98.5	Very high	98.1	Very high	108 Å²	108	61.2 Å²	61.2	53%	0.532	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-30.7	176.8	-70.4	173.2	71.9	0	0	112.6	S331 K332 V333 Y337 G338	S331-M335 VanDerWaalsContact O-CG 3.27Å; S331-M335 WeakPolarHBondContact O-CG 3.37Å; S331-M335 PolarHBondContact O-N 2.88Å; K332-M335 PolarHBondContact O-N 3.37Å; V333-M335 VanDerWaalsContact C-N 3.29Å; V333-M335 PolarHBondContact O-N 3.24Å; M335-Y337 PolarHBondContact O-N 3.27Å; M335-G338 PolarHBondContact O-N 2.98Å
336	S	98.6	Very high	97.9	Very high	95 Å²	95	60.1 Å²	60.1	66%	0.664	31%	0.312	S	S	*	.	H	α-helix	trans	-69.1	-22.7	176.7	77.1	0	0	0	0	113.1	K332 V333 L334 G338	K332-S336 PolarHBondContact O-N 3.36Å; V333-S336 PolarHBondContact O-N 3.23Å; V333-S336 PolarHBondContact O-OG 3.14Å; L334-S336 VanDerWaalsContact C-N 3.3Å; L334-S336 PolarHBondContact O-N 3.04Å; S336-G338 VanDerWaalsContact C-N 3.27Å
337	Y	98.7	Very high	97.7	Very high	115 Å²	115	59.2 Å²	59.2	45%	0.451	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	2.6	168.7	-74	-96.8	0	0	0	113.3	H293 A296 V333 L334 M335	H293-Y337 AromaticContact CE1-CE2 3.92Å; H293-Y337 AromaticContact ND1-CE2 3.43Å; H293-Y337 WeakPolarHBondContact ND1-CE2 3.35Å; H293-Y337 AromaticContact ND1-CZ 3.58Å; H293-Y337 PolarHBondContact ND1-OH 3.38Å; A296-Y337 HydrophobicContact CB-CD1 3.78Å; A296-Y337 HydrophobicContact CB-CD2 3.64Å; A296-Y337 HydrophobicContact CB-CE1 4.08Å; A296-Y337 HydrophobicContact CB-CE2 3.96Å; A296-Y337 HydrophobicContact CB-CG 3.55Å; V333-Y337 HydrophobicContact CG1-CD2 4.5Å; V333-Y337 HydrophobicContact CG1-CE2 4.2Å; V333-Y337 WeakPolarHBondContact O-CD2 3.18Å; V333-Y337 PolarHBondContact O-N 3.44Å; L334-Y337 PolarHBondContact O-N 3.46Å; M335-Y337 PolarHBondContact O-N 3.27Å
338	G	98.2	Very high	97.5	Very high	64 Å²	64	59 Å²	59	66%	0.66	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	8.4	177.1	0	0	0	0	0	115.2	M335 S336	M335-G338 PolarHBondContact O-N 2.98Å; S336-G338 VanDerWaalsContact C-N 3.27Å
339	F	98.7	Very high	97.1	Very high	34 Å²	34	58.5 Å²	58.5	15%	0.149	31%	0.305	C	S	.	.			trans	-72	140.5	175.2	-69.1	-77.7	0	0	0	111.7	A296 L299 I306 L334 T341	A296-F339 HydrophobicContact CB-CE2 3.95Å; L299-F339 HydrophobicContact CB-CE1 3.95Å; L299-F339 HydrophobicContact CB-CZ 3.77Å; I306-F339 HydrophobicContact CD1-CB 3.86Å; I306-F339 HydrophobicContact CD1-CD1 3.96Å; I306-F339 HydrophobicContact CD1-CD2 4.28Å; I306-F339 HydrophobicContact CD1-CG 3.77Å; I306-F339 HydrophobicContact CG1-CB 4.49Å; I306-F339 HydrophobicContact CG1-CD1 4.47Å; L334-F339 PolarHBondContact O-N 3Å; F339-T341 PolarHBondContact O-N 3.22Å
340	T	98.6	Very high	96.9	Very high	62 Å²	62	57.5 Å²	57.5	38%	0.38	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	107.7	164.4	-54	0	0	0	0	108.3	R274 K305 I306	R274-T340 PolarHBondContact NH1-OG1 3.09Å; K305-T340 HydrophobicContact CG-CG2 4.41Å; I306-T340 PolarHBondContact N-O 3.23Å
341	T	98.7	Very high	96.6	Very high	17 Å²	17	58.4 Å²	58.4	10%	0.104	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.9	-176.9	-51.7	0	0	0	0	110.6	I306 L308 S331 L334 F339	I306-T341 HydrophobicContact CB-CG2 4.38Å; I306-T341 HydrophobicContact CG2-CG2 4.42Å; I306-T341 CarbonylContact O-C 3.54Å; I306-T341 WeakPolarHBondContact O-CA 3.48Å; L308-T341 HydrophobicContact CD1-CG2 3.79Å; L308-T341 HydrophobicContact CD2-CG2 4.48Å; L308-T341 HydrophobicContact CG-CG2 3.83Å; S331-T341 WeakPolarHBondContact OG-CG2 3.35Å; L334-T341 HydrophobicContact CB-CG2 4.42Å; L334-T341 WeakPolarHBondContact CB-OG1 3.46Å; L334-T341 HydrophobicContact CD1-CG2 4Å; F339-T341 PolarHBondContact O-N 3.22Å
342	I	98.2	Very high	96.4	Very high	89 Å²	89	62 Å²	62	46%	0.456	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.6	-179.9	-62.9	168.7	0	0	0	108.4	I306 N307 L308	I306-I342 PolarHBondContact O-N 2.83Å; N307-I342 CarbonylContact C-O 3.6Å; N307-I342 WeakPolarHBondContact CA-O 3.38Å; L308-I342 PolarHBondContact N-O 2.75Å
343	V	97.9	Very high	96.2	Very high	64 Å²	64	56.5 Å²	56.5	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.1	167.3	-176.1	0	0	0	0	108.1	L308 P310 I327 K345	L308-V343 HydrophobicContact CB-CG2 4.4Å; L308-V343 HydrophobicContact CD1-CG2 4.41Å; L308-V343 CarbonylContact O-C 3.56Å; L308-V343 WeakPolarHBondContact O-CA 3.38Å; P310-V343 HydrophobicContact CG-CG1 3.82Å; I327-V343 HydrophobicContact CG2-CG1 3.96Å; I327-V343 HydrophobicContact CG2-CG2 3.69Å; V343-K345 PolarHBondContact O-N 2.99Å
344	R	95.3	Very high	95.9	Very high	54 Å²	54	55.6 Å²	55.6	20%	0.204	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.8	125.5	178.8	-169.9	173.8	-176.6	163.7	-0.7	109	M176 E278 L308 I309 P310 T346 C355	M176-R344 PolarHBondContact SD-NH1 3.3Å; E278-R344 IonicContact OE1-NH1 2.68Å; E278-R344 PolarHBondContact OE1-NH1 2.91Å; L308-R344 PolarHBondContact O-N 3.16Å; I309-R344 HydrophobicContact CG1-CB 4.32Å; P310-R344 WeakPolarHBondContact CD-O 3.49Å; R344-T346 PolarHBondContact O-N 3.01Å; R344-C355 PolarHBondContact NH2-SG 2.86Å
345	K	93.5	Very high	95.2	Very high	141 Å²	141	57.6 Å²	57.6	61%	0.613	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-61.7	127.2	171.7	-173.1	177.2	175.7	-174.2	0	108.7	V343 R347	V343-K345 PolarHBondContact O-N 2.99Å; K345-R347 PolarHBondContact O-N 3.29Å
346	T	93.7	Very high	94.5	Very high	36 Å²	36	53.6 Å²	53.6	22%	0.221	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.5	129.7	169.7	-59.5	0	0	0	0	108.5	N312 R344 D349 A354	N312-T346 WeakPolarHBondContact OD1-CG2 3.48Å; R344-T346 PolarHBondContact O-N 3.01Å; T346-D349 HydrophobicContact CG2-CB 3.66Å; T346-A354 HydrophobicContact CG2-CB 4.22Å
347	R	94	Very high	94.2	Very high	21 Å²	21	49.4 Å²	49.4	8%	0.079	27%	0.273	C	S	.	.			trans	-131.9	134.4	-178	-64.1	-61.7	-58.8	-85.7	-2.7	110.1	D90 I109 P110 E111 K345 D349 A354	D90-R347 VanDerWaalsContact CG-NE 3.31Å; D90-R347 PolarHBondContact O-NH2 3.43Å; D90-R347 IonicContact OD1-NE 2.69Å; D90-R347 IonicContact OD1-NH2 2.74Å; D90-R347 WeakPolarHBondContact OD2-CA 3.42Å; D90-R347 WeakPolarHBondContact OD2-CD 3.45Å; D90-R347 IonicContact OD2-CZ 2.73Å; D90-R347 IonicContact OD2-NE 4Å; D90-R347 PolarHBondContact OD2-NE 3.39Å; I109-R347 HydrophobicContact CG2-CB 4.18Å; I109-R347 HydrophobicContact CG2-CG 3.95Å; P110-R347 VanDerWaalsContact O-CZ 3.29Å; P110-R347 PolarHBondContact O-NH1 3.45Å; P110-R347 PolarHBondContact O-NH2 2.9Å; E111-R347 IonicContact OE2-NH1 3.42Å; E111-R347 PolarHBondContact OE2-NH1 3.39Å; K345-R347 PolarHBondContact O-N 3.29Å; R347-D349 VanDerWaalsContact C-N 3.34Å; R347-D349 PolarHBondContact O-N 3.37Å; R347-A354 VanDerWaalsContact O-CA 3.31Å; R347-A354 WeakPolarHBondContact O-CA 3.4Å; R347-A354 WeakPolarHBondContact O-CB 3.43Å
348	G	93.8	Very high	93.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	65.2	26.1	177.1	0	0	0	0	0	116.2	D90 D350 I351 D352 A353	D90-G348 PolarHBondContact OD2-N 2.78Å; G348-D350 VanDerWaalsContact C-N 3.33Å; G348-I351 VanDerWaalsContact O-CG1 3.24Å; G348-I351 WeakPolarHBondContact O-CG1 3.33Å; G348-I351 PolarHBondContact O-N 3.33Å; G348-D352 PolarHBondContact O-N 3.44Å; G348-A353 WeakPolarHBondContact O-CA 3.41Å; G348-A353 WeakPolarHBondContact O-CB 3.35Å; G348-A353 PolarHBondContact O-N 3.14Å
349	D	91.6	Very high	93.5	Very high	62 Å²	62	42.4 Å²	42.4	33%	0.332	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-67.1	-32.6	179.4	-172.5	48.3	0	0	0	112.6	T346 R347 I351 D352 A354 Q357	T346-D349 HydrophobicContact CG2-CB 3.66Å; R347-D349 VanDerWaalsContact C-N 3.34Å; R347-D349 PolarHBondContact O-N 3.37Å; D349-I351 PolarHBondContact O-N 2.92Å; D349-I351 VanDerWaalsContact O-N 3.13Å; D349-D352 PolarHBondContact O-N 3.2Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D349-A354 HydrophobicContact CB-CB 4.35Å; D349-Q357 PolarHBondContact OD1-NE2 3.42Å; D349-Q357 PolarHBondContact OD1-OE1 3.15Å
350	D	93.4	Very high	92.9	Very high	89 Å²	89	41.9 Å²	41.9	48%	0.476	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-64.4	-13.8	176.1	58.2	-22.2	0	0	0	114.1	S88 S89 G348	S88-D350 WeakPolarHBondContact CB-OD1 3.36Å; S88-D350 VanDerWaalsContact OG-CG 3.25Å; S88-D350 PolarHBondContact OG-OD1 3.15Å; S88-D350 PolarHBondContact OG-OD2 2.95Å; S89-D350 PolarHBondContact N-OD2 3.43Å; S89-D350 PolarHBondContact OG-OD2 3.13Å; G348-D350 VanDerWaalsContact C-N 3.33Å
351	I	93.6	Very high	92.5	Very high	20 Å²	20	41.5 Å²	41.5	10%	0.103	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-123.3	20.1	177.4	60.7	164.8	0	0	0	111.9	Q86 T92 K94 G348 D349 A353	Q86-I351 HydrophobicContact CB-CB 4.17Å; Q86-I351 HydrophobicContact CB-CD1 4.25Å; Q86-I351 HydrophobicContact CB-CG2 4.24Å; Q86-I351 PolarHBondContact OE1-O 3.32Å; T92-I351 HydrophobicContact CG2-CD1 4.49Å; K94-I351 HydrophobicContact CB-CD1 3.86Å; K94-I351 WeakPolarHBondContact CE-O 3.21Å; K94-I351 PolarHBondContact NZ-O 3.42Å; G348-I351 VanDerWaalsContact O-CG1 3.24Å; G348-I351 WeakPolarHBondContact O-CG1 3.33Å; G348-I351 PolarHBondContact O-N 3.33Å; D349-I351 PolarHBondContact O-N 2.92Å; D349-I351 VanDerWaalsContact O-N 3.13Å; I351-A353 HydrophobicContact CD1-CB 3.83Å; I351-A353 HydrophobicContact CG1-CB 3.7Å; I351-A353 PolarHBondContact O-N 3.19Å
352	D	93.6	Very high	91.8	Very high	86 Å²	86	41.6 Å²	41.6	46%	0.46	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	40.7	-177.5	-61.7	-59.4	0	0	0	113	K94 G348 D349 Q357	K94-D352 PolarHBondContact NZ-O 2.54Å; G348-D352 PolarHBondContact O-N 3.44Å; D349-D352 PolarHBondContact O-N 3.2Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D352-Q357 HydrophobicContact CB-CB 4.29Å
353	A	93.9	Very high	91.2	Very high	8 Å²	8	41.3 Å²	41.3	7%	0.066	23%	0.23	C	C	.	.			trans	-111	-0.4	-178.9	0	0	0	0	0	113.1	T92 K94 V107 G348 I351	T92-A353 HydrophobicContact CG2-CB 4.29Å; K94-A353 HydrophobicContact CB-CB 3.88Å; K94-A353 HydrophobicContact CD-CB 3.82Å; K94-A353 HydrophobicContact CG-CB 4.28Å; V107-A353 HydrophobicContact CG1-CB 3.95Å; V107-A353 HydrophobicContact CG2-CB 4.02Å; G348-A353 WeakPolarHBondContact O-CA 3.41Å; G348-A353 WeakPolarHBondContact O-CB 3.35Å; G348-A353 PolarHBondContact O-N 3.14Å; I351-A353 HydrophobicContact CD1-CB 3.83Å; I351-A353 HydrophobicContact CG1-CB 3.7Å; I351-A353 PolarHBondContact O-N 3.19Å
354	A	92	Very high	90.5	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.025	22%	0.219	C	C	.	.	S	Bend	trans	-70.1	163.1	177	0	0	0	0	0	110.9	N312 T346 R347 D349 G356 Q357	N312-A354 HydrophobicContact CB-CB 3.96Å; N312-A354 VanDerWaalsContact CG-CB 3.42Å; N312-A354 WeakPolarHBondContact ND2-CB 3.17Å; T346-A354 HydrophobicContact CG2-CB 4.22Å; R347-A354 VanDerWaalsContact O-CA 3.31Å; R347-A354 WeakPolarHBondContact O-CA 3.4Å; R347-A354 WeakPolarHBondContact O-CB 3.43Å; D349-A354 HydrophobicContact CB-CB 4.35Å; A354-G356 PolarHBondContact O-N 2.94Å; A354-G356 VanDerWaalsContact O-N 3.16Å; A354-Q357 PolarHBondContact O-N 3.24Å
355	C	85.7	Confident	89.9	Confident	41 Å²	41	45.7 Å²	45.7	28%	0.277	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	124.7	-177.5	-62.9	0	0	0	0	110.8	N312 R344	N312-C355 PolarHBondContact ND2-O 3.18Å; R344-C355 PolarHBondContact NH2-SG 2.86Å
356	G	82.5	Confident	89.3	Confident	24 Å²	24	41 Å²	41	25%	0.247	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-6.7	-179.5	0	0	0	0	0	115.6	S133 A354	S133-G356 WeakPolarHBondContact CA-O 3.43Å; S133-G356 WeakPolarHBondContact CB-O 3.27Å; S133-G356 PolarHBondContact N-O 3.16Å; A354-G356 PolarHBondContact O-N 2.94Å; A354-G356 VanDerWaalsContact O-N 3.16Å
357	Q	92.7	Very high	88.5	Confident	8 Å²	8	46 Å²	46	4%	0.037	24%	0.244	C	C	.	.			trans	-91	-14.9	-179.4	-75.1	172.7	-35.5	0	0	114.5	S133 N312 P313 D349 D352 A354 A359	S133-Q357 WeakPolarHBondContact CB-O 3.42Å; S133-Q357 PolarHBondContact OG-O 3.46Å; N312-Q357 HydrophobicContact CB-CG 3.97Å; P313-Q357 WeakPolarHBondContact O-CG 3.35Å; P313-Q357 PolarHBondContact O-NE2 3.19Å; D349-Q357 PolarHBondContact OD1-NE2 3.42Å; D349-Q357 PolarHBondContact OD1-OE1 3.15Å; D352-Q357 HydrophobicContact CB-CB 4.29Å; A354-Q357 PolarHBondContact O-N 3.24Å; Q357-A359 PolarHBondContact O-N 3.35Å; Q357-A359 VanDerWaalsContact O-N 3.11Å
358	L	91.1	Very high	87.9	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.243	C	C	.	.			trans	-64.4	113	-173.7	-49.1	-178	0	0	0	112.2	K94 E105 V107 T134 M178	K94-L358 HydrophobicContact CD-CD2 4.09Å; E105-L358 HydrophobicContact CB-CB 4.3Å; E105-L358 HydrophobicContact CB-CD1 4.35Å; E105-L358 HydrophobicContact CB-CD2 4.18Å; E105-L358 HydrophobicContact CB-CG 4.49Å; E105-L358 WeakPolarHBondContact OE2-CA 3.21Å; E105-L358 VanDerWaalsContact OE2-CB 3.26Å; E105-L358 WeakPolarHBondContact OE2-CB 3.38Å; E105-L358 WeakPolarHBondContact OE2-CD2 3.48Å; V107-L358 HydrophobicContact CG2-CD1 4.32Å; V107-L358 HydrophobicContact CG2-CD2 3.65Å; T134-L358 WeakPolarHBondContact CA-O 3.38Å; T134-L358 PolarHBondContact N-O 3.39Å; T134-L358 PolarHBondContact OG1-O 2.98Å; M178-L358 HydrophobicContact CG-CB 3.79Å; M178-L358 HydrophobicContact CG-CD1 4.42Å; M178-L358 HydrophobicContact SD-CB 4.41Å
359	A	90.3	Very high	86.8	Confident	25 Å²	25	47 Å²	47	21%	0.207	25%	0.251	C	S	.	.			trans	-102.9	-37.2	-178.3	0	0	0	0	0	111.8	Q137 M178 Q357	Q137-A359 HydrophobicContact CG-CB 4.25Å; Q137-A359 WeakPolarHBondContact CG-O 3.43Å; M178-A359 WeakPolarHBondContact CE-O 3.38Å; Q357-A359 PolarHBondContact O-N 3.35Å; Q357-A359 VanDerWaalsContact O-N 3.11Å
360	G	87.9	Confident	86	Confident	23 Å²	23	48.7 Å²	48.7	24%	0.237	26%	0.259	C	S	.	.			trans	57.2	-149.1	-173.3	0	0	0	0	0	112.4	R103 E105	R103-G360 WeakPolarHBondContact O-CA 3.37Å; E105-G360 WeakPolarHBondContact OE1-CA 3.48Å; E105-G360 PolarHBondContact OE1-N 3.04Å
361	D	89.8	Confident	85.3	Confident	55 Å²	55	50 Å²	50	29%	0.294	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-137.8	107.5	173.1	-171.7	-11.3	0	0	0	108	Q102 R103	Q102-D361 CarbonylContact C-O 3.57Å; Q102-D361 WeakPolarHBondContact CA-O 3.44Å; Q102-D361 VanDerWaalsContact CB-O 3.25Å; Q102-D361 WeakPolarHBondContact CB-O 3.46Å; R103-D361 HydrophobicContact CB-CB 3.77Å; R103-D361 HydrophobicContact CG-CB 3.88Å; R103-D361 PolarHBondContact N-O 3.29Å; R103-D361 PolarHBondContact O-N 3.49Å
362	V	83.4	Confident	84.2	Confident	18 Å²	18	51.1 Å²	51.1	11%	0.109	26%	0.262	C	S	.	.			trans	-125.1	125.3	-165.4	-179.7	0	0	0	0	110.4	V123 Q137 N140 M178 D364	V123-V362 HydrophobicContact CG1-CG1 4.22Å; V123-V362 HydrophobicContact CG1-CG2 4.08Å; Q137-V362 HydrophobicContact CB-CB 4.04Å; Q137-V362 HydrophobicContact CB-CG2 4.05Å; N140-V362 HydrophobicContact CB-CG1 4.33Å; M178-V362 HydrophobicContact CE-CG2 3.85Å; V362-D364 PolarHBondContact O-N 2.92Å
363	I	85.9	Confident	82.9	Confident	83 Å²	83	53.9 Å²	53.9	43%	0.426	27%	0.266	S	S	.	.			trans	-85.8	97.4	170.7	-60.3	170.3	0	0	0	107.6	D101 Q102 N140 R365	D101-I363 HydrophobicContact CB-CD1 4.46Å; D101-I363 WeakPolarHBondContact OD2-CD1 3.26Å; Q102-I363 HydrophobicContact CG-CB 4.26Å; Q102-I363 HydrophobicContact CG-CD1 3.95Å; Q102-I363 HydrophobicContact CG-CG1 3.84Å; N140-I363 WeakPolarHBondContact CB-O 3.31Å; N140-I363 PolarHBondContact ND2-O 2.85Å; I363-R365 PolarHBondContact O-N 2.9Å
364	D	82.9	Confident	81.7	Confident	28 Å²	28	61.5 Å²	61.5	15%	0.15	30%	0.302	C	S	.	.			trans	-65.2	115.2	-176.4	-179.1	29.1	0	0	0	113	G138 F139 V362 T366 K367 R368 T369	G138-D364 WeakPolarHBondContact CA-OD1 3.31Å; F139-D364 PolarHBondContact N-OD1 3.39Å; F139-D364 VanDerWaalsContact N-OD1 3.1Å; V362-D364 PolarHBondContact O-N 2.92Å; D364-T366 WeakPolarHBondContact OD1-CB 3.06Å; D364-T366 PolarHBondContact OD1-N 3.3Å; D364-T366 PolarHBondContact OD1-OG1 3.37Å; D364-T366 PolarHBondContact OD2-OG1 3.37Å; D364-K367 PolarHBondContact OD2-N 3.36Å; D364-R368 WeakPolarHBondContact OD2-CA 3.37Å; D364-R368 WeakPolarHBondContact OD2-CB 3.41Å; D364-R368 PolarHBondContact OD2-N 3.26Å; D364-T369 PolarHBondContact OD2-N 3.47Å; D364-T369 PolarHBondContact OD2-OG1 3.37Å
365	R	82.9	Confident	80.6	Confident	182 Å²	182	68.2 Å²	68.2	69%	0.687	33%	0.332	S	S	*	.	S	Bend	trans	-89.3	-8.9	175.1	-68.7	-179.5	65.6	-154	2.6	113.4	F139 N140 I363 K367	F139-R365 PolarHBondContact O-N 2.9Å; N140-R365 PolarHBondContact O-NH1 3.4Å; I363-R365 PolarHBondContact O-N 2.9Å; R365-K367 VanDerWaalsContact C-N 3.34Å
366	T	79.7	Confident	79.1	Confident	42 Å²	42	69.6 Å²	69.6	26%	0.258	35%	0.354	S	S	.	.	S	Bend	trans	-90.3	0.9	-177.4	70.9	0	0	0	0	113.7	F139 D364 R368 R371	F139-T366 HydrophobicContact CB-CG2 3.87Å; F139-T366 HydrophobicContact CD1-CG2 4.25Å; D364-T366 WeakPolarHBondContact OD1-CB 3.06Å; D364-T366 PolarHBondContact OD1-N 3.3Å; D364-T366 PolarHBondContact OD1-OG1 3.37Å; D364-T366 PolarHBondContact OD2-OG1 3.37Å; T366-R368 PolarHBondContact O-N 3.09Å; T366-R368 VanDerWaalsContact O-N 3.13Å; T366-R371 PolarHBondContact O-NH2 3.21Å
367	K	78.7	Confident	77.8	Confident	142 Å²	142	72.8 Å²	72.8	62%	0.617	36%	0.362	S	S	*	.			trans	54.4	27.5	-177.1	-54.6	-176.6	-179.6	-179.9	0	112.4	D364 R365 L370 R371	D364-K367 PolarHBondContact OD2-N 3.36Å; R365-K367 VanDerWaalsContact C-N 3.34Å; K367-L370 HydrophobicContact CB-CB 4.25Å; K367-L370 HydrophobicContact CB-CD1 4.05Å; K367-L370 HydrophobicContact CD-CD1 4.35Å; K367-L370 HydrophobicContact CG-CD1 4.09Å; K367-L370 PolarHBondContact O-N 3.41Å; K367-R371 WeakPolarHBondContact O-CG 3.17Å; K367-R371 PolarHBondContact O-N 3.4Å
368	R	80.6	Confident	75.8	Confident	15 Å²	15	77.4 Å²	77.4	6%	0.057	40%	0.402	C	S	.	.	H	α-helix	trans	-66.6	-43.2	179.2	-174	179.4	-79.5	149	16.4	110.4	C125 A126 E128 A135 D364 T366 L370 R371 K372	C125-R368 PolarHBondContact O-NH1 2.68Å; A126-R368 PolarHBondContact O-NH2 2.9Å; A126-R368 VanDerWaalsContact O-NH2 3.17Å; E128-R368 IonicContact OE1-CZ 3.61Å; E128-R368 IonicContact OE1-NE 3.4Å; E128-R368 PolarHBondContact OE1-NE 2.84Å; E128-R368 VanDerWaalsContact OE1-NE 3.13Å; E128-R368 IonicContact OE1-NH2 3.01Å; E128-R368 PolarHBondContact OE1-NH2 3.33Å; A135-R368 PolarHBondContact O-NH1 3.21Å; D364-R368 WeakPolarHBondContact OD2-CA 3.37Å; D364-R368 WeakPolarHBondContact OD2-CB 3.41Å; D364-R368 PolarHBondContact OD2-N 3.26Å; T366-R368 PolarHBondContact O-N 3.09Å; T366-R368 VanDerWaalsContact O-N 3.13Å; R368-L370 VanDerWaalsContact C-N 3.28Å; R368-L370 PolarHBondContact O-N 3.1Å; R368-R371 PolarHBondContact O-N 3.49Å; R368-K372 PolarHBondContact O-N 2.87Å
369	T	70.9	Confident	74	Confident	28 Å²	28	79.3 Å²	79.3	17%	0.172	41%	0.412	C	S	.	.	H	α-helix	trans	-59.7	-37.8	173.8	29.2	0	0	0	0	112.4	D364 R373 I379 I381	D364-T369 PolarHBondContact OD2-N 3.47Å; D364-T369 PolarHBondContact OD2-OG1 3.37Å; T369-R373 WeakPolarHBondContact O-CB 3.33Å; T369-R373 WeakPolarHBondContact O-CG 3.33Å; T369-R373 PolarHBondContact O-N 3.07Å; T369-R373 VanDerWaalsContact O-N 3.09Å; T369-I379 HydrophobicContact CG2-CD1 3.9Å; T369-I379 HydrophobicContact CG2-CG2 4.43Å; T369-I381 HydrophobicContact CG2-CD1 3.33Å; T369-I381 HydrophobicContact CG2-CG1 4.11Å
370	L	74.9	Confident	72	Confident	97 Å²	97	85.8 Å²	85.8	51%	0.508	44%	0.443	S	S	.	.	H	α-helix	trans	-67.5	-47.2	172.5	-70.3	169.5	0	0	0	112.2	K367 R368 K372 R373 M374	K367-L370 HydrophobicContact CB-CB 4.25Å; K367-L370 HydrophobicContact CB-CD1 4.05Å; K367-L370 HydrophobicContact CD-CD1 4.35Å; K367-L370 HydrophobicContact CG-CD1 4.09Å; K367-L370 PolarHBondContact O-N 3.41Å; R368-L370 VanDerWaalsContact C-N 3.28Å; R368-L370 PolarHBondContact O-N 3.1Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 2.74Å; L370-R373 PolarHBondContact O-N 2.59Å; L370-M374 WeakPolarHBondContact O-CG 3.14Å; L370-M374 PolarHBondContact O-N 2.86Å
371	R	78.5	Confident	70.1	Confident	115 Å²	115	88 Å²	88	43%	0.434	45%	0.448	S	S	.	.	H	α-helix	trans	-57.7	-42.8	178	-78.6	-175.9	-80.2	158.3	-3.1	112.1	T366 K367 R368 M374 Q375	T366-R371 PolarHBondContact O-NH2 3.21Å; K367-R371 WeakPolarHBondContact O-CG 3.17Å; K367-R371 PolarHBondContact O-N 3.4Å; R368-R371 PolarHBondContact O-N 3.49Å; R371-M374 PolarHBondContact O-N 3.45Å; R371-Q375 WeakPolarHBondContact O-CG 3.45Å; R371-Q375 PolarHBondContact O-N 3.08Å
372	K	69.8	Low	67.5	Low	45 Å²	45	94.9 Å²	94.9	20%	0.196	48%	0.476	C	S	.	.	H	α-helix	trans	-67.6	-42	176.6	-80.5	-168.3	164.4	-146.2	0	113.5	R368 L370 M374 Q375 G376 E377 I379	R368-K372 PolarHBondContact O-N 2.87Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 2.74Å; K372-M374 VanDerWaalsContact C-N 3.26Å; K372-M374 PolarHBondContact O-N 2.93Å; K372-Q375 CarbonylContact O-C 3.1Å; K372-Q375 WeakPolarHBondContact O-CA 3.44Å; K372-Q375 PolarHBondContact O-N 3.13Å; K372-G376 PolarHBondContact O-N 3.42Å; K372-G376 VanDerWaalsContact O-N 3.16Å; K372-E377 HydrophobicContact CB-CB 4.35Å; K372-E377 VanDerWaalsContact CD-OE2 3.23Å; K372-E377 WeakPolarHBondContact CD-OE2 3.34Å; K372-E377 WeakPolarHBondContact CE-OE2 3.32Å; K372-E377 WeakPolarHBondContact CG-OE2 3.45Å; K372-E377 IonicContact NZ-OE2 3.21Å; K372-E377 PolarHBondContact NZ-OE2 2.69Å; K372-E377 PolarHBondContact O-N 3.48Å; K372-I379 HydrophobicContact CB-CD1 3.53Å; K372-I379 HydrophobicContact CB-CG1 4.36Å; K372-I379 HydrophobicContact CD-CD1 3.65Å; K372-I379 HydrophobicContact CD-CG1 4.3Å; K372-I379 HydrophobicContact CG-CD1 4.22Å
373	R	66.2	Low	65.1	Low	144 Å²	144	98.7 Å²	98.7	54%	0.543	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-38.2	173.1	-79.2	-179.5	179.1	-178.2	-0.6	111.8	T369 L370 Q375 G376	T369-R373 WeakPolarHBondContact O-CB 3.33Å; T369-R373 WeakPolarHBondContact O-CG 3.33Å; T369-R373 PolarHBondContact O-N 3.07Å; T369-R373 VanDerWaalsContact O-N 3.09Å; L370-R373 PolarHBondContact O-N 2.59Å; R373-Q375 PolarHBondContact O-N 3.29Å; R373-G376 PolarHBondContact O-N 3.45Å
374	M	69.1	Low	62.7	Low	167 Å²	167	103.7 Å²	103.7	82%	0.823	54%	0.543	S	S	*	.	H	α-helix	trans	-67.5	-22.7	174.5	-68.3	-179.7	72.1	0	0	113.3	L370 R371 K372	L370-M374 WeakPolarHBondContact O-CG 3.14Å; L370-M374 PolarHBondContact O-N 2.86Å; R371-M374 PolarHBondContact O-N 3.45Å; K372-M374 VanDerWaalsContact C-N 3.26Å; K372-M374 PolarHBondContact O-N 2.93Å
375	Q	69.4	Low	61.7	Low	144 Å²	144	107.5 Å²	107.5	67%	0.673	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-1	178.2	-69.8	171.1	-14.1	0	0	113.3	R371 K372 R373	R371-Q375 WeakPolarHBondContact O-CG 3.45Å; R371-Q375 PolarHBondContact O-N 3.08Å; K372-Q375 CarbonylContact O-C 3.1Å; K372-Q375 WeakPolarHBondContact O-CA 3.44Å; K372-Q375 PolarHBondContact O-N 3.13Å; R373-Q375 PolarHBondContact O-N 3.29Å
376	G	53.3	Low	60.5	Low	70 Å²	70	103.5 Å²	103.5	72%	0.722	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.4	13.2	177.6	0	0	0	0	0	115.3	K372 R373	K372-G376 PolarHBondContact O-N 3.42Å; K372-G376 VanDerWaalsContact O-N 3.16Å; R373-G376 PolarHBondContact O-N 3.45Å
377	E	56.8	Low	59.5	Low	92 Å²	92	106.9 Å²	106.9	43%	0.43	57%	0.572	S	S	.	*			trans	-79.1	127.6	173.9	-66.7	-175.2	-178.5	0	0	110.6	K372 I379	K372-E377 HydrophobicContact CB-CB 4.35Å; K372-E377 VanDerWaalsContact CD-OE2 3.23Å; K372-E377 WeakPolarHBondContact CD-OE2 3.34Å; K372-E377 WeakPolarHBondContact CE-OE2 3.32Å; K372-E377 WeakPolarHBondContact CG-OE2 3.45Å; K372-E377 IonicContact NZ-OE2 3.21Å; K372-E377 PolarHBondContact NZ-OE2 2.69Å; K372-E377 PolarHBondContact O-N 3.48Å; E377-I379 PolarHBondContact O-N 3.22Å
378	A	48.9	Very low	58.4	Low	105 Å²	105	104.9 Å²	104.9	87%	0.868	57%	0.57	S	S	*	*			trans	-66.3	123.8	174.6	0	0	0	0	0	110.3
379	I	54.9	Low	57	Low	46 Å²	46	110.5 Å²	110.5	24%	0.236	60%	0.602	C	S	.	*			trans	-125.9	121.8	170.5	-50.5	178	0	0	0	108.2	T369 K372 E377 I381	T369-I379 HydrophobicContact CG2-CD1 3.9Å; T369-I379 HydrophobicContact CG2-CG2 4.43Å; K372-I379 HydrophobicContact CB-CD1 3.53Å; K372-I379 HydrophobicContact CB-CG1 4.36Å; K372-I379 HydrophobicContact CD-CD1 3.65Å; K372-I379 HydrophobicContact CD-CG1 4.3Å; K372-I379 HydrophobicContact CG-CD1 4.22Å; E377-I379 PolarHBondContact O-N 3.22Å; I379-I381 HydrophobicContact CB-CG1 4.19Å; I379-I381 HydrophobicContact CG2-CD1 4.19Å; I379-I381 HydrophobicContact CG2-CG1 3.48Å; I379-I381 VanDerWaalsContact CG2-CG1 3.48Å; I379-I381 PolarHBondContact O-N 3.17Å
380	D	46.7	Very low	56	Low	161 Å²	161	116 Å²	116	86%	0.861	63%	0.63	S	S	*	*			trans	-81.8	97.7	167.5	-151.5	-0.3	0	0	0	108.1
381	I	49.6	Very low	54.7	Low	69 Å²	69	117.4 Å²	117.4	35%	0.354	64%	0.639	S	S	.	*			trans	-103.8	117.5	171.5	-50.4	176.3	0	0	0	105.5	T369 I379 A383	T369-I381 HydrophobicContact CG2-CD1 3.33Å; T369-I381 HydrophobicContact CG2-CG1 4.11Å; I379-I381 HydrophobicContact CB-CG1 4.19Å; I379-I381 HydrophobicContact CG2-CD1 4.19Å; I379-I381 HydrophobicContact CG2-CG1 3.48Å; I379-I381 VanDerWaalsContact CG2-CG1 3.48Å; I379-I381 PolarHBondContact O-N 3.17Å; I381-A383 PolarHBondContact O-N 3.15Å
382	K	35.1	Very low	52.9	Low	200 Å²	200	117.5 Å²	117.5	87%	0.87	66%	0.655	S	S	*	*			trans	-61.8	107.8	162.4	-80	-175.6	178.1	175.6	0	107.3	V384	K382-V384 PolarHBondContact O-N 3.2Å
383	A	32.9	Very low	51.4	Low	97 Å²	97	123.6 Å²	123.6	80%	0.802	69%	0.693	S	S	*	*			trans	-64.1	126.9	167.6	0	0	0	0	0	108	I381	I381-A383 PolarHBondContact O-N 3.15Å
384	V	34.5	Very low	50.1	Low	188 Å²	188	121.7 Å²	121.7	100%	1.139	71%	0.707	S	S	*	*			trans	-74.7	0	160.8	-179.6	0	0	0	0	108.5	K382	K382-V384 PolarHBondContact O-N 3.2Å

Retrieved 384 of 384 residues in 544.9 ms (Link to these results)

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